Zinc in PDB 5un3: Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
Enzymatic activity of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
All present enzymatic activity of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose:
3.4.24.27;
Protein crystallography data
The structure of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose, PDB code: 5un3
was solved by
D.Juers,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
20.21 /
1.60
|
|
Space group
|
P 41 21 2
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
97.659,
97.659,
108.069,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
16.1 /
18.1
|
Other elements in 5un3:
The structure of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose also contains other interesting chemical elements:
Zinc Binding Sites:
The binding sites of Zinc atom in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
(pdb code 5un3). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose, PDB code: 5un3:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 5un3
Go back to
Zinc Binding Sites List in 5un3
Zinc binding site 1 out
of 8 in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn318
b:18.1
occ:1.00
|
OD2
|
A:ASP185
|
2.0
|
15.9
|
1.0
|
|
OE2
|
A:GLU190
|
2.1
|
15.7
|
1.0
|
|
O
|
A:HOH427
|
2.1
|
14.7
|
1.0
|
|
OE2
|
A:GLU177
|
2.2
|
16.4
|
1.0
|
|
O
|
A:ASN183
|
2.3
|
16.1
|
1.0
|
|
CG
|
A:ASP185
|
3.0
|
16.9
|
1.0
|
|
CD
|
A:GLU177
|
3.0
|
15.8
|
1.0
|
|
CD
|
A:GLU190
|
3.1
|
13.3
|
1.0
|
|
OD1
|
A:ASP185
|
3.3
|
16.1
|
1.0
|
|
HG3
|
A:GLU190
|
3.5
|
16.6
|
1.0
|
|
C
|
A:ASN183
|
3.5
|
15.6
|
1.0
|
|
HA
|
A:PRO184
|
3.5
|
22.7
|
1.0
|
|
OE1
|
A:GLU177
|
3.6
|
14.7
|
1.0
|
|
CA
|
A:CA317
|
3.6
|
14.7
|
1.0
|
|
HB2
|
A:ASN183
|
3.6
|
26.2
|
1.0
|
|
CG
|
A:GLU190
|
3.7
|
13.9
|
1.0
|
|
HG2
|
A:GLU190
|
3.7
|
16.6
|
1.0
|
|
O
|
A:LYS182
|
3.9
|
22.2
|
1.0
|
|
OE1
|
A:GLU190
|
4.1
|
15.1
|
1.0
|
|
H
|
A:ASP185
|
4.1
|
18.1
|
1.0
|
|
OD2
|
A:ASP191
|
4.1
|
20.2
|
1.0
|
|
CA
|
A:PRO184
|
4.1
|
18.9
|
1.0
|
|
CG
|
A:GLU177
|
4.1
|
15.7
|
1.0
|
|
OD1
|
A:ASP191
|
4.1
|
18.8
|
1.0
|
|
HG2
|
A:GLU177
|
4.1
|
18.8
|
1.0
|
|
N
|
A:ASP185
|
4.1
|
15.1
|
1.0
|
|
HB3
|
A:ASN183
|
4.2
|
26.2
|
1.0
|
|
C
|
A:PRO184
|
4.2
|
19.4
|
1.0
|
|
HG3
|
A:GLU177
|
4.2
|
18.8
|
1.0
|
|
CB
|
A:ASN183
|
4.2
|
21.8
|
1.0
|
|
CB
|
A:ASP185
|
4.2
|
16.7
|
1.0
|
|
N
|
A:PRO184
|
4.3
|
17.2
|
1.0
|
|
HB3
|
A:ASP185
|
4.3
|
20.1
|
1.0
|
|
CG
|
A:ASP191
|
4.4
|
17.9
|
1.0
|
|
O
|
A:HOH463
|
4.4
|
41.6
|
1.0
|
|
CA
|
A:ASN183
|
4.5
|
15.9
|
1.0
|
|
CA
|
A:ASP185
|
4.8
|
14.2
|
1.0
|
|
O
|
A:PRO184
|
4.8
|
20.5
|
1.0
|
|
C
|
A:LYS182
|
4.9
|
22.2
|
1.0
|
|
HB2
|
A:ASP185
|
5.0
|
20.1
|
1.0
|
|
Zinc binding site 2 out
of 8 in 5un3
Go back to
Zinc Binding Sites List in 5un3
Zinc binding site 2 out
of 8 in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn321
b:16.2
occ:0.95
|
O
|
A:HOH513
|
1.8
|
19.7
|
1.0
|
|
OE2
|
A:GLU166
|
2.0
|
19.4
|
0.5
|
|
OE1
|
A:GLU166
|
2.0
|
14.3
|
0.5
|
|
NE2
|
A:HIS146
|
2.0
|
15.6
|
1.0
|
|
NE2
|
A:HIS142
|
2.0
|
14.3
|
1.0
|
|
CD
|
A:GLU166
|
2.8
|
18.1
|
0.5
|
|
CD
|
A:GLU166
|
2.9
|
15.1
|
0.5
|
|
CE1
|
A:HIS146
|
3.0
|
17.1
|
1.0
|
|
CE1
|
A:HIS142
|
3.0
|
13.5
|
1.0
|
|
OE1
|
A:GLU166
|
3.0
|
19.8
|
0.5
|
|
CD2
|
A:HIS142
|
3.1
|
16.0
|
1.0
|
|
CD2
|
A:HIS146
|
3.1
|
14.0
|
1.0
|
|
OE2
|
A:GLU166
|
3.1
|
17.8
|
0.5
|
|
HE1
|
A:HIS146
|
3.1
|
20.5
|
1.0
|
|
HE1
|
A:HIS142
|
3.1
|
16.2
|
1.0
|
|
HD2
|
A:HIS146
|
3.3
|
16.8
|
1.0
|
|
HD2
|
A:HIS142
|
3.3
|
19.2
|
1.0
|
|
HH
|
A:TYR157
|
3.3
|
28.8
|
0.5
|
|
ZN
|
A:ZN322
|
3.4
|
64.0
|
0.5
|
|
ZN
|
A:ZN323
|
3.4
|
41.3
|
0.6
|
|
HA
|
A:GLU166
|
3.8
|
14.1
|
0.5
|
|
HA
|
A:GLU166
|
3.8
|
13.7
|
0.5
|
|
OE2
|
A:GLU143
|
3.8
|
28.4
|
1.0
|
|
O
|
A:HOH403
|
3.8
|
54.8
|
0.7
|
|
OH
|
A:TYR157
|
4.1
|
24.0
|
0.5
|
|
HB2
|
A:SER169
|
4.1
|
16.1
|
1.0
|
|
ND1
|
A:HIS142
|
4.1
|
14.7
|
1.0
|
|
ND1
|
A:HIS146
|
4.1
|
14.8
|
1.0
|
|
HE1
|
A:TYR157
|
4.2
|
27.9
|
0.5
|
|
CG
|
A:HIS142
|
4.2
|
13.8
|
1.0
|
|
CG
|
A:HIS146
|
4.2
|
13.3
|
1.0
|
|
CG
|
A:GLU166
|
4.2
|
15.2
|
0.5
|
|
NE2
|
A:HIS231
|
4.2
|
29.1
|
1.0
|
|
HB3
|
A:SER169
|
4.2
|
16.1
|
1.0
|
|
HG2
|
A:GLU166
|
4.3
|
18.2
|
0.5
|
|
O
|
A:HOH599
|
4.3
|
32.1
|
1.0
|
|
CG
|
A:GLU166
|
4.3
|
13.6
|
0.5
|
|
CB
|
A:SER169
|
4.5
|
13.4
|
1.0
|
|
CD
|
A:GLU143
|
4.5
|
20.9
|
1.0
|
|
HB3
|
A:GLU166
|
4.5
|
17.6
|
0.5
|
|
OE1
|
A:GLU143
|
4.7
|
22.8
|
1.0
|
|
CA
|
A:GLU166
|
4.7
|
11.4
|
0.5
|
|
CA
|
A:GLU166
|
4.7
|
11.7
|
0.5
|
|
OG
|
A:SER169
|
4.7
|
13.3
|
1.0
|
|
CB
|
A:GLU166
|
4.7
|
14.7
|
0.5
|
|
HG3
|
A:GLU166
|
4.7
|
16.3
|
0.5
|
|
HD2
|
A:HIS231
|
4.8
|
34.5
|
1.0
|
|
HG3
|
A:GLU166
|
4.8
|
18.2
|
0.5
|
|
HH22
|
A:ARG203
|
4.8
|
21.8
|
1.0
|
|
CE1
|
A:TYR157
|
4.8
|
23.2
|
0.5
|
|
HD1
|
A:HIS142
|
4.9
|
17.6
|
1.0
|
|
HD1
|
A:HIS146
|
4.9
|
17.7
|
1.0
|
|
HG2
|
A:GLU166
|
4.9
|
16.3
|
0.5
|
|
CD2
|
A:HIS231
|
4.9
|
28.8
|
1.0
|
|
HA
|
A:GLU143
|
4.9
|
20.0
|
1.0
|
|
CZ
|
A:TYR157
|
4.9
|
22.4
|
0.5
|
|
CB
|
A:GLU166
|
4.9
|
15.1
|
0.5
|
|
Zinc binding site 3 out
of 8 in 5un3
Go back to
Zinc Binding Sites List in 5un3
Zinc binding site 3 out
of 8 in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn322
b:64.0
occ:0.54
|
NE2
|
A:HIS231
|
2.0
|
29.1
|
1.0
|
|
O
|
A:HOH513
|
2.0
|
19.7
|
1.0
|
|
HE1
|
A:HIS231
|
2.5
|
34.3
|
1.0
|
|
CE1
|
A:HIS231
|
2.6
|
28.6
|
1.0
|
|
ZN
|
A:ZN323
|
3.0
|
41.3
|
0.6
|
|
HH
|
A:TYR157
|
3.1
|
28.8
|
0.5
|
|
OH
|
A:TYR157
|
3.2
|
24.0
|
0.5
|
|
CD2
|
A:HIS231
|
3.3
|
28.8
|
1.0
|
|
OE2
|
A:GLU166
|
3.3
|
19.4
|
0.5
|
|
O
|
A:HOH599
|
3.3
|
32.1
|
1.0
|
|
ZN
|
A:ZN321
|
3.4
|
16.2
|
0.9
|
|
O
|
A:HOH403
|
3.4
|
54.8
|
0.7
|
|
HD2
|
A:HIS231
|
3.7
|
34.5
|
1.0
|
|
OE1
|
A:GLU166
|
3.8
|
14.3
|
0.5
|
|
CD
|
A:GLU166
|
3.8
|
18.1
|
0.5
|
|
ND1
|
A:HIS231
|
3.8
|
28.1
|
1.0
|
|
O
|
A:HOH446
|
3.9
|
40.5
|
1.0
|
|
OE2
|
A:GLU166
|
3.9
|
17.8
|
0.5
|
|
OE1
|
A:GLU166
|
4.0
|
19.8
|
0.5
|
|
CD
|
A:GLU166
|
4.0
|
15.1
|
0.5
|
|
O
|
A:HOH625
|
4.2
|
66.7
|
1.0
|
|
CG
|
A:HIS231
|
4.2
|
23.8
|
1.0
|
|
CZ
|
A:TYR157
|
4.5
|
22.4
|
0.5
|
|
OE2
|
A:GLU143
|
4.6
|
28.4
|
1.0
|
|
NE2
|
A:HIS142
|
4.6
|
14.3
|
1.0
|
|
HH22
|
A:ARG203
|
4.9
|
21.8
|
1.0
|
|
HG3
|
A:GLU166
|
4.9
|
18.2
|
0.5
|
|
HG3
|
A:GLU166
|
4.9
|
16.3
|
0.5
|
|
CG
|
A:GLU166
|
5.0
|
15.2
|
0.5
|
|
O
|
A:HOH629
|
5.0
|
53.5
|
1.0
|
|
Zinc binding site 4 out
of 8 in 5un3
Go back to
Zinc Binding Sites List in 5un3
Zinc binding site 4 out
of 8 in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn323
b:41.3
occ:0.58
|
OE2
|
A:GLU143
|
1.8
|
28.4
|
1.0
|
|
O
|
A:HOH446
|
1.9
|
40.5
|
1.0
|
|
O
|
A:HOH513
|
1.9
|
19.7
|
1.0
|
|
O
|
A:HOH403
|
2.0
|
54.8
|
0.7
|
|
CD
|
A:GLU143
|
2.8
|
20.9
|
1.0
|
|
ZN
|
A:ZN322
|
3.0
|
64.0
|
0.5
|
|
OE1
|
A:GLU143
|
3.1
|
22.8
|
1.0
|
|
ZN
|
A:ZN321
|
3.4
|
16.2
|
0.9
|
|
O
|
A:HOH483
|
3.7
|
45.7
|
1.0
|
|
O
|
A:ALA113
|
3.7
|
23.1
|
1.0
|
|
HD2
|
A:HIS142
|
3.9
|
19.2
|
1.0
|
|
O
|
A:HOH599
|
4.0
|
32.1
|
1.0
|
|
HD2
|
A:HIS146
|
4.0
|
16.8
|
1.0
|
|
HA
|
A:PHE114
|
4.0
|
19.3
|
1.0
|
|
O
|
A:HOH629
|
4.1
|
53.5
|
1.0
|
|
NE2
|
A:HIS142
|
4.1
|
14.3
|
1.0
|
|
CG
|
A:GLU143
|
4.1
|
17.2
|
1.0
|
|
CD2
|
A:HIS142
|
4.3
|
16.0
|
1.0
|
|
HG2
|
A:GLU143
|
4.3
|
20.7
|
1.0
|
|
HG3
|
A:GLU143
|
4.4
|
20.7
|
1.0
|
|
NE2
|
A:HIS146
|
4.4
|
15.6
|
1.0
|
|
HB3
|
A:PHE114
|
4.5
|
21.0
|
1.0
|
|
CD2
|
A:HIS146
|
4.5
|
14.0
|
1.0
|
|
OE2
|
A:GLU166
|
4.7
|
19.4
|
0.5
|
|
C
|
A:ALA113
|
4.9
|
20.4
|
1.0
|
|
CA
|
A:PHE114
|
4.9
|
16.1
|
1.0
|
|
HA
|
A:GLU143
|
4.9
|
20.0
|
1.0
|
|
OD1
|
A:ASN112
|
4.9
|
32.7
|
1.0
|
|
NE2
|
A:HIS231
|
4.9
|
29.1
|
1.0
|
|
HH
|
A:TYR157
|
4.9
|
28.8
|
0.5
|
|
HB2
|
A:PHE114
|
5.0
|
21.0
|
1.0
|
|
Zinc binding site 5 out
of 8 in 5un3
Go back to
Zinc Binding Sites List in 5un3
Zinc binding site 5 out
of 8 in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn324
b:43.4
occ:0.53
|
ND1
|
A:HIS231
|
1.9
|
28.1
|
1.0
|
|
OD1
|
A:ASP226
|
2.0
|
33.8
|
1.0
|
|
CE1
|
A:HIS231
|
2.7
|
28.6
|
1.0
|
|
HB2
|
A:HIS231
|
2.8
|
26.0
|
1.0
|
|
CG
|
A:HIS231
|
2.8
|
23.8
|
1.0
|
|
CG
|
A:ASP226
|
2.8
|
31.8
|
1.0
|
|
HE1
|
A:HIS231
|
2.9
|
34.3
|
1.0
|
|
OD2
|
A:ASP226
|
3.1
|
29.4
|
1.0
|
|
CB
|
A:HIS231
|
3.3
|
21.7
|
1.0
|
|
O
|
A:HOH634
|
3.4
|
71.2
|
1.0
|
|
H
|
A:HIS231
|
3.7
|
23.2
|
1.0
|
|
NE2
|
A:HIS231
|
3.7
|
29.1
|
1.0
|
|
CD2
|
A:HIS231
|
3.8
|
28.8
|
1.0
|
|
O
|
A:HOH407
|
3.9
|
49.0
|
1.0
|
|
HB3
|
A:HIS231
|
3.9
|
26.0
|
1.0
|
|
HG23
|
A:VAL230
|
4.0
|
26.6
|
1.0
|
|
CB
|
A:ASP226
|
4.1
|
30.1
|
1.0
|
|
HG22
|
A:VAL230
|
4.2
|
26.6
|
1.0
|
|
HB2
|
A:ASP226
|
4.2
|
36.1
|
1.0
|
|
HA
|
A:ASP226
|
4.3
|
37.2
|
1.0
|
|
N
|
A:HIS231
|
4.3
|
19.4
|
1.0
|
|
CA
|
A:HIS231
|
4.4
|
19.1
|
1.0
|
|
CG2
|
A:VAL230
|
4.5
|
22.1
|
1.0
|
|
HD2
|
A:HIS231
|
4.6
|
34.5
|
1.0
|
|
CA
|
A:ASP226
|
4.7
|
31.0
|
1.0
|
|
HB3
|
A:ASP226
|
4.8
|
36.1
|
1.0
|
|
HG21
|
A:VAL230
|
4.8
|
26.6
|
1.0
|
|
HA
|
A:HIS231
|
5.0
|
22.9
|
1.0
|
|
Zinc binding site 6 out
of 8 in 5un3
Go back to
Zinc Binding Sites List in 5un3
Zinc binding site 6 out
of 8 in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn331
b:23.1
occ:0.32
|
HZ1
|
A:LYS239
|
1.4
|
30.5
|
1.0
|
|
O
|
A:HOH576
|
1.8
|
20.9
|
1.0
|
|
NZ
|
A:LYS239
|
2.2
|
25.4
|
1.0
|
|
CL
|
A:CL341
|
2.4
|
57.4
|
0.7
|
|
HZ2
|
A:LYS239
|
2.4
|
30.5
|
1.0
|
|
CL
|
A:CL342
|
2.6
|
81.3
|
1.0
|
|
HZ3
|
A:LYS239
|
2.6
|
30.5
|
1.0
|
|
CE
|
A:LYS239
|
3.3
|
22.7
|
1.0
|
|
HE3
|
A:LYS239
|
3.3
|
27.3
|
1.0
|
|
ZN
|
A:ZN332
|
3.4
|
22.3
|
0.8
|
|
HE2
|
A:LYS239
|
3.5
|
27.3
|
1.0
|
|
CL
|
A:CL343
|
3.7
|
26.6
|
0.8
|
|
HD21
|
A:LEU243
|
3.8
|
24.0
|
1.0
|
|
HE2
|
A:TYR242
|
4.0
|
26.1
|
1.0
|
|
O
|
A:SER206
|
4.0
|
19.4
|
1.0
|
|
HB2
|
A:HIS250
|
4.3
|
20.3
|
1.0
|
|
O
|
A:HOH614
|
4.4
|
51.4
|
1.0
|
|
ND1
|
A:HIS250
|
4.4
|
18.2
|
1.0
|
|
O
|
A:THR249
|
4.6
|
27.6
|
1.0
|
|
CD
|
A:LYS239
|
4.6
|
20.9
|
1.0
|
|
CD2
|
A:LEU243
|
4.7
|
20.0
|
1.0
|
|
HD23
|
A:LEU243
|
4.7
|
24.0
|
1.0
|
|
CE2
|
A:TYR242
|
4.7
|
21.7
|
1.0
|
|
HD2
|
A:TYR242
|
4.7
|
21.9
|
1.0
|
|
HD2
|
A:LYS239
|
4.8
|
25.0
|
1.0
|
|
HD3
|
A:LYS239
|
4.8
|
25.0
|
1.0
|
|
HA3
|
A:GLY248
|
4.9
|
25.3
|
1.0
|
|
O
|
A:HOH585
|
5.0
|
60.5
|
1.0
|
|
Zinc binding site 7 out
of 8 in 5un3
Go back to
Zinc Binding Sites List in 5un3
Zinc binding site 7 out
of 8 in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn332
b:22.3
occ:0.76
|
ND1
|
A:HIS250
|
2.0
|
18.2
|
1.0
|
|
O
|
A:HOH576
|
2.2
|
20.9
|
1.0
|
|
CL
|
A:CL343
|
2.2
|
26.6
|
0.8
|
|
CL
|
A:CL344
|
2.2
|
25.1
|
0.9
|
|
CE1
|
A:HIS250
|
2.9
|
17.1
|
1.0
|
|
HA
|
A:HIS250
|
2.9
|
20.3
|
1.0
|
|
HE1
|
A:HIS250
|
2.9
|
20.6
|
1.0
|
|
CG
|
A:HIS250
|
3.2
|
17.3
|
1.0
|
|
HZ1
|
A:LYS239
|
3.3
|
30.5
|
1.0
|
|
HE2
|
A:LYS239
|
3.4
|
27.3
|
1.0
|
|
ZN
|
A:ZN331
|
3.4
|
23.1
|
0.3
|
|
HB2
|
A:HIS250
|
3.6
|
20.3
|
1.0
|
|
CB
|
A:HIS250
|
3.7
|
16.9
|
1.0
|
|
CA
|
A:HIS250
|
3.7
|
16.9
|
1.0
|
|
HZ3
|
A:LYS239
|
3.7
|
30.5
|
1.0
|
|
NZ
|
A:LYS239
|
3.8
|
25.4
|
1.0
|
|
H
|
A:TYR251
|
3.9
|
21.0
|
1.0
|
|
O
|
A:THR249
|
4.0
|
27.6
|
1.0
|
|
NE2
|
A:HIS250
|
4.0
|
17.6
|
1.0
|
|
CE
|
A:LYS239
|
4.1
|
22.7
|
1.0
|
|
CD2
|
A:HIS250
|
4.2
|
17.5
|
1.0
|
|
HE3
|
A:LYS239
|
4.5
|
27.3
|
1.0
|
|
N
|
A:TYR251
|
4.5
|
17.5
|
1.0
|
|
HB3
|
A:HIS250
|
4.6
|
20.3
|
1.0
|
|
C
|
A:HIS250
|
4.6
|
16.8
|
1.0
|
|
HZ2
|
A:LYS239
|
4.6
|
30.5
|
1.0
|
|
N
|
A:HIS250
|
4.7
|
18.8
|
1.0
|
|
O
|
A:HOH585
|
4.7
|
60.5
|
1.0
|
|
C
|
A:THR249
|
4.8
|
23.2
|
1.0
|
|
HE2
|
A:HIS250
|
4.8
|
21.1
|
1.0
|
|
OD2
|
A:ASP215
|
4.8
|
18.7
|
1.0
|
|
HD2
|
A:TYR251
|
4.9
|
23.5
|
1.0
|
|
CL
|
A:CL342
|
4.9
|
81.3
|
1.0
|
|
Zinc binding site 8 out
of 8 in 5un3
Go back to
Zinc Binding Sites List in 5un3
Zinc binding site 8 out
of 8 in the Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose
 Mono view
 Stereo pair view
|
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Tetragonal Thermolysin (295 K) in the Presence of 50% Xylose within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn334
b:35.9
occ:0.45
|
O
|
A:HOH623
|
2.0
|
61.9
|
1.0
|
|
O
|
A:HOH472
|
2.1
|
37.1
|
1.0
|
|
OD1
|
A:ASP213
|
2.2
|
22.6
|
1.0
|
|
O
|
A:HOH461
|
2.2
|
37.2
|
1.0
|
|
O
|
A:HOH500
|
2.2
|
50.0
|
1.0
|
|
O
|
A:HOH637
|
2.2
|
46.8
|
1.0
|
|
OD2
|
A:ASP213
|
2.4
|
23.5
|
1.0
|
|
CG
|
A:ASP213
|
2.6
|
20.4
|
1.0
|
|
HG12
|
A:ILE232
|
3.9
|
31.7
|
1.0
|
|
HA
|
A:ILE232
|
4.0
|
23.1
|
1.0
|
|
CB
|
A:ASP213
|
4.1
|
16.5
|
1.0
|
|
HB3
|
A:ARG203
|
4.1
|
29.0
|
1.0
|
|
O
|
A:HOH533
|
4.1
|
31.5
|
1.0
|
|
O
|
A:HOH635
|
4.1
|
56.0
|
1.0
|
|
O
|
A:TYR211
|
4.3
|
30.5
|
1.0
|
|
O
|
A:HIS231
|
4.4
|
26.9
|
1.0
|
|
HB2
|
A:TYR211
|
4.4
|
28.3
|
1.0
|
|
HB3
|
A:TYR211
|
4.5
|
28.3
|
1.0
|
|
HB2
|
A:ASP213
|
4.5
|
19.8
|
1.0
|
|
HB3
|
A:ASP213
|
4.5
|
19.8
|
1.0
|
|
O
|
A:LEU202
|
4.6
|
19.2
|
1.0
|
|
HA
|
A:ASP213
|
4.6
|
21.1
|
1.0
|
|
H
|
A:ASP213
|
4.8
|
23.6
|
1.0
|
|
HG23
|
A:ILE232
|
4.8
|
27.7
|
1.0
|
|
CG1
|
A:ILE232
|
4.8
|
26.4
|
1.0
|
|
CA
|
A:ASP213
|
4.8
|
17.6
|
1.0
|
|
N
|
A:ASP213
|
4.8
|
19.6
|
1.0
|
|
O
|
A:HOH605
|
4.8
|
24.9
|
1.0
|
|
O
|
A:HOH470
|
4.8
|
19.0
|
1.0
|
|
HD3
|
A:ARG203
|
4.9
|
25.2
|
1.0
|
|
HG13
|
A:ILE232
|
4.9
|
31.7
|
1.0
|
|
CB
|
A:TYR211
|
4.9
|
23.6
|
1.0
|
|
CA
|
A:ILE232
|
4.9
|
19.2
|
1.0
|
|
CB
|
A:ARG203
|
5.0
|
24.2
|
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 11:17:24 2024
|
