Zinc in PDB 5uuc: Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Enzymatic activity of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
All present enzymatic activity of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant:
3.4.24.27;
Protein crystallography data
The structure of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant, PDB code: 5uuc
was solved by
D.H.Juers,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.89 /
1.60
|
Space group
|
P 41 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
96.546,
96.546,
105.280,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
14.1 /
16.6
|
Other elements in 5uuc:
The structure of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
(pdb code 5uuc). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 10 binding sites of Zinc where determined in the
Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant, PDB code: 5uuc:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Zinc binding site 1 out
of 10 in 5uuc
Go back to
Zinc Binding Sites List in 5uuc
Zinc binding site 1 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn402
b:15.1
occ:0.97
|
OD2
|
A:ASP185
|
2.0
|
13.3
|
1.0
|
OE2
|
A:GLU190
|
2.1
|
12.9
|
1.0
|
OE2
|
A:GLU177
|
2.1
|
12.5
|
1.0
|
O
|
A:HOH550
|
2.1
|
13.5
|
1.0
|
O
|
A:ASN183
|
2.3
|
15.5
|
1.0
|
CG
|
A:ASP185
|
3.0
|
15.0
|
1.0
|
CD
|
A:GLU177
|
3.0
|
12.1
|
1.0
|
CD
|
A:GLU190
|
3.1
|
11.0
|
1.0
|
OD1
|
A:ASP185
|
3.4
|
13.2
|
1.0
|
C
|
A:ASN183
|
3.4
|
16.6
|
1.0
|
HG3
|
A:GLU190
|
3.4
|
15.3
|
1.0
|
HA
|
A:PRO184
|
3.5
|
20.3
|
1.0
|
HB2
|
A:ASN183
|
3.5
|
23.7
|
1.0
|
CA
|
A:CA401
|
3.6
|
12.4
|
1.0
|
OE1
|
A:GLU177
|
3.6
|
12.8
|
1.0
|
HG2
|
A:GLU190
|
3.6
|
15.3
|
1.0
|
CG
|
A:GLU190
|
3.6
|
12.7
|
1.0
|
O
|
A:LYS182
|
3.9
|
21.9
|
1.0
|
HG2
|
A:GLU177
|
4.0
|
15.8
|
1.0
|
CG
|
A:GLU177
|
4.0
|
13.1
|
1.0
|
CA
|
A:PRO184
|
4.0
|
16.9
|
1.0
|
OD1
|
A:ASP191
|
4.1
|
15.7
|
1.0
|
OD2
|
A:ASP191
|
4.1
|
16.7
|
1.0
|
H
|
A:ASP185
|
4.1
|
15.9
|
1.0
|
OE1
|
A:GLU190
|
4.1
|
12.3
|
1.0
|
C
|
A:PRO184
|
4.1
|
16.9
|
1.0
|
N
|
A:ASP185
|
4.1
|
13.2
|
1.0
|
HG3
|
A:GLU177
|
4.1
|
15.8
|
1.0
|
HB3
|
A:ASN183
|
4.1
|
23.7
|
1.0
|
CB
|
A:ASN183
|
4.2
|
19.8
|
1.0
|
N
|
A:PRO184
|
4.2
|
16.9
|
1.0
|
CB
|
A:ASP185
|
4.2
|
12.5
|
1.0
|
HB3
|
A:ASP185
|
4.3
|
15.0
|
1.0
|
O
|
A:HOH666
|
4.3
|
52.4
|
1.0
|
CG
|
A:ASP191
|
4.4
|
14.8
|
1.0
|
CA
|
A:ASN183
|
4.4
|
15.2
|
1.0
|
O
|
A:PRO184
|
4.7
|
18.2
|
1.0
|
CA
|
A:ASP185
|
4.8
|
11.6
|
1.0
|
O
|
A:HOH575
|
4.9
|
15.8
|
1.0
|
HB2
|
A:ASP185
|
4.9
|
15.0
|
1.0
|
C
|
A:LYS182
|
4.9
|
22.6
|
1.0
|
|
Zinc binding site 2 out
of 10 in 5uuc
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Zinc Binding Sites List in 5uuc
Zinc binding site 2 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn405
b:13.1
occ:0.96
|
O
|
A:HOH715
|
1.8
|
15.2
|
1.0
|
OE2
|
A:GLU166
|
2.0
|
14.9
|
0.7
|
NE2
|
A:HIS146
|
2.0
|
11.4
|
1.0
|
OE1
|
A:GLU166
|
2.0
|
11.8
|
0.3
|
NE2
|
A:HIS142
|
2.0
|
10.2
|
1.0
|
CD
|
A:GLU166
|
2.9
|
16.2
|
0.7
|
CD
|
A:GLU166
|
2.9
|
11.6
|
0.3
|
CE1
|
A:HIS146
|
2.9
|
12.3
|
1.0
|
CD2
|
A:HIS142
|
3.0
|
10.7
|
1.0
|
CE1
|
A:HIS142
|
3.0
|
10.5
|
1.0
|
OE2
|
A:GLU166
|
3.0
|
10.8
|
0.3
|
CD2
|
A:HIS146
|
3.1
|
12.0
|
1.0
|
HE1
|
A:HIS146
|
3.1
|
14.7
|
1.0
|
OE1
|
A:GLU166
|
3.1
|
16.0
|
0.7
|
HD2
|
A:HIS142
|
3.2
|
12.9
|
1.0
|
HE1
|
A:HIS142
|
3.2
|
12.6
|
1.0
|
HH
|
A:TYR157
|
3.2
|
21.9
|
0.5
|
HD2
|
A:HIS146
|
3.3
|
14.4
|
1.0
|
ZN
|
A:ZN407
|
3.3
|
26.9
|
0.6
|
HA
|
A:MRD420
|
3.3
|
34.6
|
1.0
|
ZN
|
A:ZN406
|
3.3
|
23.7
|
0.4
|
OE2
|
A:GLU143
|
3.6
|
22.7
|
1.0
|
ZN
|
A:ZN407
|
3.7
|
27.6
|
0.5
|
HA
|
A:GLU166
|
3.8
|
12.9
|
0.7
|
HA
|
A:GLU166
|
3.8
|
13.2
|
0.3
|
O
|
A:HOH502
|
3.9
|
29.1
|
1.0
|
O4
|
A:MRD420
|
3.9
|
28.9
|
1.0
|
OH
|
A:TYR157
|
3.9
|
18.2
|
0.5
|
ND1
|
A:HIS146
|
4.1
|
12.5
|
1.0
|
HB2
|
A:SER169
|
4.1
|
14.3
|
1.0
|
ND1
|
A:HIS142
|
4.1
|
10.6
|
1.0
|
O
|
A:HOH599
|
4.1
|
30.1
|
1.0
|
CG
|
A:HIS142
|
4.1
|
10.2
|
1.0
|
CG
|
A:HIS146
|
4.2
|
10.9
|
1.0
|
NE2
|
A:HIS231
|
4.2
|
25.9
|
1.0
|
HE1
|
A:TYR157
|
4.2
|
19.8
|
0.5
|
CG
|
A:GLU166
|
4.2
|
13.2
|
0.7
|
O
|
A:HOH699
|
4.2
|
47.1
|
1.0
|
HB3
|
A:SER169
|
4.3
|
14.3
|
1.0
|
CG
|
A:GLU166
|
4.3
|
11.7
|
0.3
|
HG2
|
A:GLU166
|
4.3
|
15.8
|
0.7
|
CD
|
A:GLU143
|
4.5
|
13.8
|
1.0
|
CB
|
A:SER169
|
4.6
|
11.9
|
1.0
|
HB3
|
A:GLU166
|
4.6
|
14.3
|
0.3
|
HD2
|
A:HIS231
|
4.6
|
30.2
|
1.0
|
O
|
A:HOH580
|
4.6
|
40.6
|
1.0
|
HH22
|
A:ARG203
|
4.7
|
17.2
|
1.0
|
CA
|
A:GLU166
|
4.7
|
11.0
|
0.3
|
HG3
|
A:GLU166
|
4.7
|
14.1
|
0.3
|
CA
|
A:GLU166
|
4.7
|
10.8
|
0.7
|
OG
|
A:SER169
|
4.8
|
12.2
|
1.0
|
CB
|
A:GLU166
|
4.8
|
12.0
|
0.3
|
CD2
|
A:HIS231
|
4.8
|
25.2
|
1.0
|
OE1
|
A:GLU143
|
4.8
|
21.4
|
1.0
|
CZ
|
A:TYR157
|
4.8
|
15.2
|
0.5
|
HG3
|
A:GLU166
|
4.8
|
15.8
|
0.7
|
CE1
|
A:TYR157
|
4.8
|
16.5
|
0.5
|
HD1
|
A:HIS146
|
4.8
|
15.1
|
1.0
|
HG2
|
A:GLU166
|
4.9
|
14.1
|
0.3
|
HD1
|
A:HIS142
|
4.9
|
12.7
|
1.0
|
HA
|
A:GLU143
|
4.9
|
13.7
|
1.0
|
|
Zinc binding site 3 out
of 10 in 5uuc
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Zinc Binding Sites List in 5uuc
Zinc binding site 3 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn406
b:23.7
occ:0.36
|
O
|
A:HOH580
|
1.7
|
40.6
|
1.0
|
O
|
A:HOH715
|
2.0
|
15.2
|
1.0
|
NE2
|
A:HIS231
|
2.0
|
25.9
|
1.0
|
O
|
A:HOH699
|
2.3
|
47.1
|
1.0
|
O
|
A:HOH502
|
2.7
|
29.1
|
1.0
|
CE1
|
A:HIS231
|
2.7
|
21.4
|
1.0
|
HE1
|
A:HIS231
|
2.8
|
25.7
|
1.0
|
ZN
|
A:ZN407
|
3.0
|
26.9
|
0.6
|
ZN
|
A:ZN407
|
3.1
|
27.6
|
0.5
|
CD2
|
A:HIS231
|
3.1
|
25.2
|
1.0
|
ZN
|
A:ZN405
|
3.3
|
13.1
|
1.0
|
HH
|
A:TYR157
|
3.4
|
21.9
|
0.5
|
HD2
|
A:HIS231
|
3.4
|
30.2
|
1.0
|
OH
|
A:TYR157
|
3.5
|
18.2
|
0.5
|
OE2
|
A:GLU166
|
3.5
|
14.9
|
0.7
|
O4
|
A:MRD420
|
3.6
|
28.9
|
1.0
|
HA
|
A:MRD420
|
3.6
|
34.6
|
1.0
|
O
|
A:HOH836
|
3.7
|
51.8
|
1.0
|
OE1
|
A:GLU166
|
3.7
|
11.8
|
0.3
|
H2
|
A:MRD420
|
3.7
|
42.5
|
1.0
|
O2
|
A:MRD420
|
3.8
|
35.4
|
1.0
|
O
|
A:HOH549
|
3.9
|
17.9
|
0.9
|
ND1
|
A:HIS231
|
3.9
|
24.0
|
1.0
|
CD
|
A:GLU166
|
3.9
|
16.2
|
0.7
|
OE1
|
A:GLU166
|
3.9
|
16.0
|
0.7
|
CG
|
A:HIS231
|
4.1
|
20.8
|
1.0
|
O
|
A:HOH756
|
4.1
|
34.0
|
1.0
|
CD
|
A:GLU166
|
4.1
|
11.6
|
0.3
|
OE2
|
A:GLU166
|
4.2
|
10.8
|
0.3
|
OE2
|
A:GLU143
|
4.5
|
22.7
|
1.0
|
NE2
|
A:HIS142
|
4.5
|
10.2
|
1.0
|
O
|
A:HOH599
|
4.6
|
30.1
|
1.0
|
HH22
|
A:ARG203
|
4.6
|
17.2
|
1.0
|
CZ
|
A:TYR157
|
4.8
|
15.2
|
0.5
|
C4
|
A:MRD420
|
4.9
|
23.9
|
1.0
|
NE2
|
A:HIS146
|
5.0
|
11.4
|
1.0
|
HH12
|
A:ARG203
|
5.0
|
21.5
|
1.0
|
|
Zinc binding site 4 out
of 10 in 5uuc
Go back to
Zinc Binding Sites List in 5uuc
Zinc binding site 4 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn407
b:26.9
occ:0.55
|
ZN
|
A:ZN407
|
0.0
|
26.9
|
0.6
|
O
|
A:HOH715
|
1.9
|
15.2
|
1.0
|
O
|
A:HOH599
|
2.0
|
30.1
|
1.0
|
ZN
|
A:ZN407
|
2.0
|
27.6
|
0.5
|
O
|
A:HOH549
|
2.1
|
17.9
|
0.9
|
OE2
|
A:GLU143
|
2.2
|
22.7
|
1.0
|
O
|
A:HOH699
|
2.8
|
47.1
|
1.0
|
CD
|
A:GLU143
|
3.0
|
13.8
|
1.0
|
ZN
|
A:ZN406
|
3.0
|
23.7
|
0.4
|
O
|
A:HOH580
|
3.0
|
40.6
|
1.0
|
OE1
|
A:GLU143
|
3.1
|
21.4
|
1.0
|
ZN
|
A:ZN405
|
3.3
|
13.1
|
1.0
|
HA
|
A:MRD420
|
3.4
|
34.6
|
1.0
|
HD2
|
A:HIS146
|
3.6
|
14.4
|
1.0
|
O
|
A:HOH833
|
3.8
|
55.2
|
1.0
|
NE2
|
A:HIS146
|
4.0
|
11.4
|
1.0
|
O4
|
A:MRD420
|
4.0
|
28.9
|
1.0
|
CD2
|
A:HIS146
|
4.1
|
12.0
|
1.0
|
O2
|
A:MRD420
|
4.1
|
35.4
|
1.0
|
HA
|
A:PHE114
|
4.1
|
16.1
|
1.0
|
O
|
A:ALA113
|
4.2
|
16.5
|
1.0
|
HD2
|
A:HIS142
|
4.2
|
12.9
|
1.0
|
HB3
|
A:PHE114
|
4.3
|
18.9
|
1.0
|
H2
|
A:MRD420
|
4.4
|
42.5
|
1.0
|
O
|
A:HOH732
|
4.4
|
35.9
|
1.0
|
CG
|
A:GLU143
|
4.5
|
12.4
|
1.0
|
NE2
|
A:HIS142
|
4.5
|
10.2
|
1.0
|
HH
|
A:TYR157
|
4.5
|
21.9
|
0.5
|
OE2
|
A:GLU166
|
4.6
|
14.9
|
0.7
|
O
|
A:HOH502
|
4.6
|
29.1
|
1.0
|
OH
|
A:TYR157
|
4.7
|
18.2
|
0.5
|
HG2
|
A:GLU143
|
4.7
|
14.9
|
1.0
|
CD2
|
A:HIS142
|
4.7
|
10.7
|
1.0
|
HG3
|
A:GLU143
|
4.7
|
14.9
|
1.0
|
HB2
|
A:PHE114
|
4.7
|
18.9
|
1.0
|
H4
|
A:MRD420
|
4.8
|
28.7
|
1.0
|
CB
|
A:PHE114
|
4.9
|
15.7
|
1.0
|
NE2
|
A:HIS231
|
4.9
|
25.9
|
1.0
|
CA
|
A:PHE114
|
4.9
|
13.4
|
1.0
|
OE1
|
A:GLU166
|
4.9
|
11.8
|
0.3
|
H
|
A:TRP115
|
5.0
|
16.3
|
1.0
|
OE2
|
A:GLU166
|
5.0
|
10.8
|
0.3
|
HMC3
|
A:MRD420
|
5.0
|
37.3
|
1.0
|
C4
|
A:MRD420
|
5.0
|
23.9
|
1.0
|
|
Zinc binding site 5 out
of 10 in 5uuc
Go back to
Zinc Binding Sites List in 5uuc
Zinc binding site 5 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn407
b:27.6
occ:0.45
|
ZN
|
A:ZN407
|
0.0
|
27.6
|
0.5
|
HA
|
A:MRD420
|
1.8
|
34.6
|
1.0
|
OE2
|
A:GLU143
|
1.9
|
22.7
|
1.0
|
ZN
|
A:ZN407
|
2.0
|
26.9
|
0.6
|
O4
|
A:MRD420
|
2.2
|
28.9
|
1.0
|
O
|
A:HOH715
|
2.3
|
15.2
|
1.0
|
O
|
A:HOH549
|
2.3
|
17.9
|
0.9
|
O2
|
A:MRD420
|
2.4
|
35.4
|
1.0
|
O
|
A:HOH580
|
2.8
|
40.6
|
1.0
|
H4
|
A:MRD420
|
2.9
|
28.7
|
1.0
|
H2
|
A:MRD420
|
3.0
|
42.5
|
1.0
|
CD
|
A:GLU143
|
3.0
|
13.8
|
1.0
|
C4
|
A:MRD420
|
3.0
|
23.9
|
1.0
|
ZN
|
A:ZN406
|
3.1
|
23.7
|
0.4
|
HMC3
|
A:MRD420
|
3.2
|
37.3
|
1.0
|
C2
|
A:MRD420
|
3.4
|
30.5
|
1.0
|
O
|
A:HOH502
|
3.4
|
29.1
|
1.0
|
ZN
|
A:ZN405
|
3.7
|
13.1
|
1.0
|
HD2
|
A:HIS142
|
3.7
|
12.9
|
1.0
|
CM
|
A:MRD420
|
3.7
|
31.1
|
1.0
|
C3
|
A:MRD420
|
3.7
|
23.7
|
1.0
|
O
|
A:ALA113
|
3.8
|
16.5
|
1.0
|
OE1
|
A:GLU143
|
3.8
|
21.4
|
1.0
|
HG2
|
A:GLU143
|
3.8
|
14.9
|
1.0
|
O
|
A:HOH599
|
3.9
|
30.1
|
1.0
|
CG
|
A:GLU143
|
3.9
|
12.4
|
1.0
|
HMC2
|
A:MRD420
|
4.0
|
37.3
|
1.0
|
NE2
|
A:HIS142
|
4.0
|
10.2
|
1.0
|
CD2
|
A:HIS142
|
4.0
|
10.7
|
1.0
|
O
|
A:HOH699
|
4.1
|
47.1
|
1.0
|
HG3
|
A:GLU143
|
4.1
|
14.9
|
1.0
|
H3C2
|
A:MRD420
|
4.1
|
28.4
|
1.0
|
C5
|
A:MRD420
|
4.3
|
18.3
|
1.0
|
H5C3
|
A:MRD420
|
4.5
|
21.9
|
1.0
|
H5C1
|
A:MRD420
|
4.5
|
21.9
|
1.0
|
HA
|
A:PHE114
|
4.5
|
16.1
|
1.0
|
H3C1
|
A:MRD420
|
4.6
|
28.4
|
1.0
|
HD2
|
A:HIS146
|
4.6
|
14.4
|
1.0
|
HMC1
|
A:MRD420
|
4.6
|
37.3
|
1.0
|
C1
|
A:MRD420
|
4.7
|
28.6
|
1.0
|
OD1
|
A:ASN112
|
4.7
|
21.0
|
1.0
|
H1C2
|
A:MRD420
|
4.8
|
34.4
|
1.0
|
H1C1
|
A:MRD420
|
4.9
|
34.4
|
1.0
|
O
|
A:HOH836
|
4.9
|
51.8
|
1.0
|
C
|
A:ALA113
|
4.9
|
15.7
|
1.0
|
NE2
|
A:HIS231
|
4.9
|
25.9
|
1.0
|
NE2
|
A:HIS146
|
5.0
|
11.4
|
1.0
|
H
|
A:ALA113
|
5.0
|
17.6
|
1.0
|
|
Zinc binding site 6 out
of 10 in 5uuc
Go back to
Zinc Binding Sites List in 5uuc
Zinc binding site 6 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn408
b:38.0
occ:0.56
|
ND1
|
A:HIS231
|
1.8
|
24.0
|
1.0
|
OD1
|
A:ASP226
|
2.1
|
24.7
|
1.0
|
CE1
|
A:HIS231
|
2.5
|
21.4
|
1.0
|
HE1
|
A:HIS231
|
2.7
|
25.7
|
1.0
|
CG
|
A:HIS231
|
2.8
|
20.8
|
1.0
|
CG
|
A:ASP226
|
2.9
|
25.9
|
1.0
|
HB2
|
A:HIS231
|
2.9
|
23.9
|
1.0
|
OD2
|
A:ASP226
|
3.2
|
25.6
|
1.0
|
CB
|
A:HIS231
|
3.4
|
19.9
|
1.0
|
O
|
A:HOH713
|
3.6
|
42.0
|
1.0
|
NE2
|
A:HIS231
|
3.6
|
25.9
|
1.0
|
H
|
A:HIS231
|
3.8
|
18.4
|
1.0
|
CD2
|
A:HIS231
|
3.8
|
25.2
|
1.0
|
HG23
|
A:VAL230
|
4.0
|
20.4
|
1.0
|
HB3
|
A:HIS231
|
4.0
|
23.9
|
1.0
|
HG22
|
A:VAL230
|
4.1
|
20.4
|
1.0
|
CB
|
A:ASP226
|
4.2
|
23.2
|
1.0
|
HA
|
A:ASP226
|
4.3
|
28.9
|
1.0
|
N
|
A:HIS231
|
4.4
|
15.4
|
1.0
|
HB2
|
A:ASP226
|
4.4
|
27.8
|
1.0
|
CG2
|
A:VAL230
|
4.5
|
17.0
|
1.0
|
CA
|
A:HIS231
|
4.5
|
17.5
|
1.0
|
HD2
|
A:HIS231
|
4.6
|
30.2
|
1.0
|
O
|
A:HOH824
|
4.7
|
49.0
|
1.0
|
O
|
A:HOH836
|
4.8
|
51.8
|
1.0
|
CA
|
A:ASP226
|
4.8
|
24.1
|
1.0
|
HG21
|
A:VAL230
|
4.9
|
20.4
|
1.0
|
HB3
|
A:ASP226
|
4.9
|
27.8
|
1.0
|
|
Zinc binding site 7 out
of 10 in 5uuc
Go back to
Zinc Binding Sites List in 5uuc
Zinc binding site 7 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn409
b:14.7
occ:0.67
|
HZ1
|
A:LYS239
|
1.3
|
26.6
|
1.0
|
O
|
A:HOH714
|
1.8
|
17.7
|
1.0
|
NZ
|
A:LYS239
|
2.1
|
22.2
|
1.0
|
CL
|
A:CL414
|
2.1
|
43.3
|
0.7
|
CL
|
A:CL413
|
2.2
|
21.5
|
0.8
|
HZ3
|
A:LYS239
|
2.4
|
26.6
|
1.0
|
HZ2
|
A:LYS239
|
2.5
|
26.6
|
1.0
|
CE
|
A:LYS239
|
3.2
|
16.7
|
1.0
|
HE2
|
A:LYS239
|
3.3
|
20.0
|
1.0
|
HE3
|
A:LYS239
|
3.3
|
20.0
|
1.0
|
ZN
|
A:ZN410
|
3.4
|
17.3
|
0.9
|
O
|
A:HOH807
|
3.5
|
44.1
|
1.0
|
HD21
|
A:LEU243
|
3.7
|
17.8
|
1.0
|
CL
|
A:CL415
|
3.9
|
20.5
|
0.9
|
HE2
|
A:TYR242
|
3.9
|
21.0
|
1.0
|
O
|
A:SER206
|
3.9
|
16.8
|
1.0
|
HB2
|
A:HIS250
|
4.0
|
18.1
|
1.0
|
O
|
A:THR249
|
4.3
|
22.4
|
1.0
|
ND1
|
A:HIS250
|
4.4
|
13.4
|
1.0
|
CD
|
A:LYS239
|
4.5
|
15.5
|
1.0
|
HD23
|
A:LEU243
|
4.6
|
17.8
|
1.0
|
CD2
|
A:LEU243
|
4.6
|
14.8
|
1.0
|
CE2
|
A:TYR242
|
4.6
|
17.5
|
1.0
|
HD3
|
A:LYS239
|
4.7
|
18.6
|
1.0
|
HD2
|
A:LYS239
|
4.7
|
18.6
|
1.0
|
HA3
|
A:GLY248
|
4.7
|
19.5
|
1.0
|
O
|
A:HOH787
|
4.8
|
28.4
|
1.0
|
HD2
|
A:TYR242
|
4.8
|
19.1
|
1.0
|
CB
|
A:HIS250
|
4.8
|
15.1
|
1.0
|
HA
|
A:HIS250
|
4.9
|
17.7
|
1.0
|
O
|
A:HOH740
|
4.9
|
37.9
|
1.0
|
CG
|
A:HIS250
|
4.9
|
14.1
|
1.0
|
|
Zinc binding site 8 out
of 10 in 5uuc
Go back to
Zinc Binding Sites List in 5uuc
Zinc binding site 8 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn410
b:17.3
occ:0.91
|
O
|
A:HOH714
|
2.0
|
17.7
|
1.0
|
ND1
|
A:HIS250
|
2.1
|
13.4
|
1.0
|
CL
|
A:CL416
|
2.2
|
14.9
|
0.9
|
CL
|
A:CL415
|
2.2
|
20.5
|
0.9
|
CE1
|
A:HIS250
|
2.9
|
16.2
|
1.0
|
HA
|
A:HIS250
|
2.9
|
17.7
|
1.0
|
HE1
|
A:HIS250
|
3.0
|
19.4
|
1.0
|
CG
|
A:HIS250
|
3.2
|
14.1
|
1.0
|
HE2
|
A:LYS239
|
3.3
|
20.0
|
1.0
|
ZN
|
A:ZN409
|
3.4
|
14.7
|
0.7
|
HB2
|
A:HIS250
|
3.5
|
18.1
|
1.0
|
HZ1
|
A:LYS239
|
3.5
|
26.6
|
1.0
|
CB
|
A:HIS250
|
3.6
|
15.1
|
1.0
|
CA
|
A:HIS250
|
3.7
|
14.8
|
1.0
|
H
|
A:TYR251
|
3.8
|
18.4
|
1.0
|
O
|
A:THR249
|
3.9
|
22.4
|
1.0
|
HZ3
|
A:LYS239
|
4.0
|
26.6
|
1.0
|
NZ
|
A:LYS239
|
4.0
|
22.2
|
1.0
|
CE
|
A:LYS239
|
4.0
|
16.7
|
1.0
|
NE2
|
A:HIS250
|
4.1
|
15.7
|
1.0
|
CD2
|
A:HIS250
|
4.2
|
13.4
|
1.0
|
HE3
|
A:LYS239
|
4.4
|
20.0
|
1.0
|
N
|
A:TYR251
|
4.4
|
15.4
|
1.0
|
CL
|
A:CL414
|
4.4
|
43.3
|
0.7
|
C
|
A:HIS250
|
4.6
|
13.5
|
1.0
|
HB3
|
A:HIS250
|
4.6
|
18.1
|
1.0
|
N
|
A:HIS250
|
4.7
|
15.7
|
1.0
|
OD2
|
A:ASP215
|
4.7
|
15.4
|
1.0
|
C
|
A:THR249
|
4.8
|
18.4
|
1.0
|
HE2
|
A:HIS250
|
4.8
|
18.8
|
1.0
|
HD2
|
A:TYR251
|
4.9
|
17.2
|
1.0
|
HZ2
|
A:LYS239
|
4.9
|
26.6
|
1.0
|
|
Zinc binding site 9 out
of 10 in 5uuc
Go back to
Zinc Binding Sites List in 5uuc
Zinc binding site 9 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 9 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn411
b:37.6
occ:0.46
|
O
|
A:HOH530
|
1.9
|
20.3
|
0.8
|
O
|
A:HOH841
|
2.3
|
33.5
|
0.7
|
ZN
|
A:ZN412
|
2.3
|
18.0
|
0.3
|
HB3
|
A:TYR211
|
3.7
|
19.6
|
1.0
|
O
|
A:HOH642
|
3.7
|
31.4
|
0.9
|
O
|
A:LEU202
|
3.8
|
16.5
|
1.0
|
O
|
A:HOH667
|
4.2
|
23.6
|
1.0
|
OD2
|
A:ASP213
|
4.3
|
26.2
|
1.0
|
O
|
A:TYR211
|
4.4
|
21.0
|
1.0
|
OD1
|
A:ASP213
|
4.4
|
22.4
|
1.0
|
HB2
|
A:TYR211
|
4.4
|
19.6
|
1.0
|
CB
|
A:TYR211
|
4.5
|
16.3
|
1.0
|
O
|
A:HOH639
|
4.5
|
27.8
|
1.0
|
CG
|
A:ASP213
|
4.7
|
22.1
|
1.0
|
HB3
|
A:ARG203
|
4.8
|
22.2
|
1.0
|
C
|
A:LEU202
|
5.0
|
14.8
|
1.0
|
|
Zinc binding site 10 out
of 10 in 5uuc
Go back to
Zinc Binding Sites List in 5uuc
Zinc binding site 10 out
of 10 in the Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 10 of Tetragonal Thermolysin Cryocooled to 100 K with 50% Mpd As Cryoprotectant within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn412
b:18.0
occ:0.27
|
O
|
A:HOH530
|
1.9
|
20.3
|
0.8
|
O
|
A:HOH642
|
2.1
|
31.4
|
0.9
|
OD2
|
A:ASP213
|
2.2
|
26.2
|
1.0
|
OD1
|
A:ASP213
|
2.2
|
22.4
|
1.0
|
ZN
|
A:ZN411
|
2.3
|
37.6
|
0.5
|
CG
|
A:ASP213
|
2.5
|
22.1
|
1.0
|
HB3
|
A:ARG203
|
3.8
|
22.2
|
1.0
|
O
|
A:HOH667
|
3.9
|
23.6
|
1.0
|
CB
|
A:ASP213
|
4.0
|
15.4
|
1.0
|
HB2
|
A:TYR211
|
4.1
|
19.6
|
1.0
|
HB3
|
A:TYR211
|
4.1
|
19.6
|
1.0
|
O
|
A:HOH841
|
4.2
|
33.5
|
0.7
|
O
|
A:LEU202
|
4.2
|
16.5
|
1.0
|
HA
|
A:ILE232
|
4.3
|
22.4
|
1.0
|
O
|
A:TYR211
|
4.3
|
21.0
|
1.0
|
HG12
|
A:ILE232
|
4.4
|
31.2
|
1.0
|
HB2
|
A:ASP213
|
4.4
|
18.5
|
1.0
|
O
|
A:HOH582
|
4.5
|
15.4
|
1.0
|
HB3
|
A:ASP213
|
4.5
|
18.5
|
1.0
|
O
|
A:HIS231
|
4.6
|
22.6
|
1.0
|
H
|
A:ASP213
|
4.6
|
19.3
|
1.0
|
CB
|
A:TYR211
|
4.6
|
16.3
|
1.0
|
HA
|
A:ASP213
|
4.7
|
18.7
|
1.0
|
CB
|
A:ARG203
|
4.7
|
18.5
|
1.0
|
HD3
|
A:ARG203
|
4.8
|
19.8
|
1.0
|
CA
|
A:ASP213
|
4.8
|
15.6
|
1.0
|
N
|
A:ASP213
|
4.8
|
16.1
|
1.0
|
HA
|
A:ARG203
|
4.9
|
19.0
|
1.0
|
O
|
A:HOH803
|
4.9
|
21.4
|
1.0
|
HB2
|
A:ARG203
|
4.9
|
22.2
|
1.0
|
|
Reference:
D.H.Juers,
C.A.Farley,
C.P.Saxby,
R.A.Cotter,
J.K.B.Cahn,
R.C.Holton-Burke,
K.Harrison,
Z.Wu.
The Impact of Cryosolution Thermal Contraction on Proteins and Protein Crystals: Volumes, Conformation and Order. Acta Crystallogr D Struct V. 74 922 2018BIOL.
ISSN: ISSN 2059-7983
PubMed: 30198901
DOI: 10.1107/S2059798318008793
Page generated: Mon Oct 28 12:20:01 2024
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