Zinc in PDB 1zkj: Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Enzymatic activity of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
All present enzymatic activity of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase:
3.5.2.6;
Protein crystallography data
The structure of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase, PDB code: 1zkj
was solved by
S.S.Cha,
H.I.Jung,
Y.J.An,
S.H.Lee,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
1.55
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
49.703,
59.296,
63.856,
90.00,
103.08,
90.00
|
R / Rfree (%)
|
20.9 /
23.5
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
(pdb code 1zkj). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 8 binding sites of Zinc where determined in the
Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase, PDB code: 1zkj:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Zinc binding site 1 out
of 8 in 1zkj
Go back to
Zinc Binding Sites List in 1zkj
Zinc binding site 1 out
of 8 in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn506
b:28.2
occ:1.00
|
OD2
|
A:ASP7
|
1.9
|
14.7
|
1.0
|
ND1
|
A:HIS40
|
2.1
|
11.9
|
1.0
|
CG
|
A:ASP7
|
2.8
|
15.6
|
1.0
|
CE1
|
A:HIS40
|
2.9
|
13.5
|
1.0
|
CG
|
A:HIS40
|
3.2
|
11.1
|
1.0
|
OD1
|
A:ASP7
|
3.2
|
14.4
|
1.0
|
CB
|
A:HIS40
|
3.7
|
8.8
|
1.0
|
O
|
A:HOH1600
|
3.9
|
15.8
|
1.0
|
CB
|
A:ASP7
|
4.0
|
13.4
|
1.0
|
NZ
|
A:LYS38
|
4.0
|
29.3
|
1.0
|
O
|
A:HOH1539
|
4.1
|
12.4
|
1.0
|
NE2
|
A:HIS40
|
4.1
|
11.7
|
1.0
|
CE
|
A:LYS38
|
4.1
|
27.0
|
1.0
|
CA
|
A:HIS40
|
4.1
|
7.8
|
1.0
|
CD2
|
A:HIS40
|
4.2
|
10.9
|
1.0
|
O
|
A:ALA39
|
4.7
|
10.9
|
1.0
|
CA
|
A:ASP7
|
4.8
|
14.4
|
1.0
|
CD
|
A:LYS38
|
5.0
|
24.7
|
1.0
|
|
Zinc binding site 2 out
of 8 in 1zkj
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Zinc Binding Sites List in 1zkj
Zinc binding site 2 out
of 8 in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn507
b:16.6
occ:1.00
|
NE2
|
A:HIS148
|
2.1
|
8.0
|
1.0
|
O
|
A:HOH1566
|
2.2
|
30.5
|
1.0
|
O
|
A:HOH1571
|
2.4
|
20.8
|
1.0
|
O
|
A:HOH1699
|
2.6
|
34.3
|
1.0
|
CD2
|
A:HIS148
|
3.0
|
9.0
|
1.0
|
CE1
|
A:HIS148
|
3.1
|
7.7
|
1.0
|
O
|
A:HOH1772
|
4.0
|
23.1
|
1.0
|
ND1
|
A:HIS148
|
4.2
|
7.1
|
1.0
|
CG
|
A:HIS148
|
4.2
|
6.1
|
1.0
|
CE2
|
A:TYR143
|
4.6
|
16.4
|
1.0
|
CD2
|
A:TYR143
|
4.9
|
14.8
|
1.0
|
CB
|
A:PRO297
|
4.9
|
9.3
|
1.0
|
CD
|
A:PRO297
|
4.9
|
7.7
|
1.0
|
|
Zinc binding site 3 out
of 8 in 1zkj
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Zinc Binding Sites List in 1zkj
Zinc binding site 3 out
of 8 in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn508
b:8.2
occ:1.00
|
O
|
A:ACY1404
|
2.0
|
9.8
|
1.0
|
NE2
|
A:HIS161
|
2.0
|
4.5
|
1.0
|
O
|
A:ACY1403
|
2.0
|
8.9
|
1.0
|
C
|
A:ACY1403
|
2.7
|
9.7
|
1.0
|
OXT
|
A:ACY1403
|
2.8
|
11.8
|
1.0
|
C
|
A:ACY1404
|
2.9
|
10.8
|
1.0
|
CD2
|
A:HIS161
|
3.0
|
7.0
|
1.0
|
CE1
|
A:HIS161
|
3.0
|
7.3
|
1.0
|
CH3
|
A:ACY1404
|
3.3
|
10.5
|
1.0
|
NH2
|
A:ARG133
|
4.1
|
7.2
|
1.0
|
ND1
|
A:HIS161
|
4.1
|
5.4
|
1.0
|
OXT
|
A:ACY1404
|
4.1
|
11.3
|
1.0
|
CG
|
A:HIS161
|
4.1
|
5.9
|
1.0
|
O
|
A:HOH1455
|
4.2
|
7.9
|
1.0
|
CH3
|
A:ACY1403
|
4.2
|
10.9
|
1.0
|
NE1
|
A:TRP96
|
4.5
|
6.3
|
1.0
|
CZ2
|
A:TRP96
|
4.9
|
6.5
|
1.0
|
|
Zinc binding site 4 out
of 8 in 1zkj
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Zinc Binding Sites List in 1zkj
Zinc binding site 4 out
of 8 in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn509
b:27.9
occ:1.00
|
O
|
A:HOH1641
|
2.6
|
27.4
|
1.0
|
O
|
A:HOH1493
|
2.6
|
23.1
|
1.0
|
NE2
|
A:HIS187
|
2.8
|
18.6
|
1.0
|
CE1
|
A:HIS187
|
2.8
|
19.3
|
1.0
|
ND1
|
A:HIS187
|
4.0
|
17.5
|
1.0
|
CD2
|
A:HIS187
|
4.0
|
16.3
|
1.0
|
CB
|
A:HIS186
|
4.5
|
5.6
|
1.0
|
CG
|
A:HIS187
|
4.6
|
14.6
|
1.0
|
O
|
A:HIS186
|
4.9
|
6.3
|
1.0
|
|
Zinc binding site 5 out
of 8 in 1zkj
Go back to
Zinc Binding Sites List in 1zkj
Zinc binding site 5 out
of 8 in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn510
b:13.2
occ:1.00
|
O
|
A:HOH1476
|
2.0
|
13.2
|
1.0
|
O
|
A:HOH1474
|
2.0
|
12.6
|
1.0
|
O
|
A:HOH1595
|
2.0
|
18.2
|
1.0
|
ND2
|
A:ASN191
|
2.1
|
4.7
|
1.0
|
O
|
A:HOH1444
|
2.1
|
13.6
|
1.0
|
O
|
A:HOH1446
|
2.2
|
8.2
|
1.0
|
CG
|
A:ASN191
|
3.1
|
6.8
|
1.0
|
OD1
|
A:ASN191
|
3.3
|
9.2
|
1.0
|
O
|
A:HOH1734
|
4.0
|
21.6
|
1.0
|
OD2
|
A:ASP220
|
4.2
|
10.1
|
1.0
|
O
|
A:HOH1788
|
4.2
|
25.5
|
1.0
|
OD1
|
A:ASP220
|
4.3
|
6.9
|
1.0
|
O
|
A:HOH1733
|
4.3
|
27.1
|
1.0
|
CB
|
A:ASN191
|
4.4
|
5.3
|
1.0
|
CG
|
A:ASP220
|
4.6
|
6.6
|
1.0
|
|
Zinc binding site 6 out
of 8 in 1zkj
Go back to
Zinc Binding Sites List in 1zkj
Zinc binding site 6 out
of 8 in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn511
b:8.8
occ:1.00
|
OXT
|
A:GLY359
|
2.8
|
18.4
|
1.0
|
C
|
A:GLY359
|
3.2
|
20.9
|
1.0
|
O
|
A:GLY359
|
3.3
|
22.5
|
1.0
|
CA
|
A:GLY359
|
4.3
|
17.1
|
1.0
|
|
Zinc binding site 7 out
of 8 in 1zkj
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Zinc Binding Sites List in 1zkj
Zinc binding site 7 out
of 8 in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 7 of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn512
b:9.6
occ:1.00
|
O
|
A:ACY1401
|
3.3
|
13.2
|
1.0
|
ND1
|
A:HIS24
|
3.6
|
8.3
|
1.0
|
CA
|
A:TYR341
|
3.6
|
4.9
|
1.0
|
CB
|
A:TYR341
|
3.6
|
4.5
|
1.0
|
CD
|
A:PRO342
|
3.8
|
6.7
|
1.0
|
CB
|
A:HIS24
|
3.8
|
6.4
|
1.0
|
O
|
A:HOH1551
|
3.9
|
16.4
|
1.0
|
CG
|
A:HIS24
|
4.0
|
7.3
|
1.0
|
O
|
A:ASN340
|
4.1
|
8.2
|
1.0
|
CG
|
A:ARG339
|
4.2
|
13.5
|
1.0
|
O
|
A:HIS24
|
4.2
|
7.1
|
1.0
|
CD
|
A:ARG339
|
4.2
|
14.3
|
1.0
|
C
|
A:ACY1401
|
4.4
|
13.1
|
1.0
|
N
|
A:TYR341
|
4.4
|
5.5
|
1.0
|
CA
|
A:HIS24
|
4.5
|
6.6
|
1.0
|
C
|
A:ASN340
|
4.6
|
5.6
|
1.0
|
CE1
|
A:HIS24
|
4.6
|
7.6
|
1.0
|
N
|
A:PRO342
|
4.7
|
6.2
|
1.0
|
C
|
A:TYR341
|
4.7
|
5.4
|
1.0
|
CG
|
A:PRO342
|
4.8
|
5.7
|
1.0
|
C
|
A:HIS24
|
4.8
|
7.1
|
1.0
|
NE
|
A:ARG339
|
4.9
|
13.8
|
1.0
|
|
Zinc binding site 8 out
of 8 in 1zkj
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Zinc Binding Sites List in 1zkj
Zinc binding site 8 out
of 8 in the Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 8 of Structural Basis For the Extended Substrate Spectrum of Cmy- 10, A Plasmid-Encoded Class C Beta-Lactamase within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn514
b:17.8
occ:1.00
|
O
|
A:HOH1683
|
2.0
|
19.9
|
1.0
|
OD2
|
A:ASP14
|
2.1
|
8.1
|
1.0
|
O
|
A:HOH1684
|
2.8
|
22.3
|
1.0
|
O
|
A:HOH1640
|
3.0
|
26.2
|
1.0
|
CG
|
A:ASP14
|
3.0
|
8.4
|
1.0
|
CB
|
A:ASP14
|
3.2
|
8.0
|
1.0
|
O
|
A:HOH1550
|
3.9
|
15.2
|
1.0
|
O
|
A:HOH1532
|
3.9
|
17.9
|
1.0
|
NE
|
A:ARG10
|
3.9
|
16.3
|
1.0
|
OD1
|
A:ASP14
|
4.2
|
7.7
|
1.0
|
CZ
|
A:ARG10
|
4.3
|
17.7
|
1.0
|
NH2
|
A:ARG10
|
4.3
|
16.6
|
1.0
|
CD
|
A:ARG10
|
4.6
|
13.8
|
1.0
|
CG
|
A:ARG10
|
4.6
|
12.4
|
1.0
|
CA
|
A:PRO11
|
4.7
|
7.9
|
1.0
|
O
|
A:ARG10
|
4.7
|
7.9
|
1.0
|
CA
|
A:ASP14
|
4.7
|
7.6
|
1.0
|
|
Reference:
J.Y.Kim,
H.I.Jung,
Y.J.An,
J.H.Lee,
S.J.Kim,
S.H.Jeong,
K.J.Lee,
P.G.Suh,
H.S.Lee,
S.H.Lee,
S.S.Cha.
Structural Basis For the Extended Substrate Spectrum of Cmy-10, A Plasmid-Encoded Class C Beta-Lactamase. Mol.Microbiol. V. 60 907 2006.
ISSN: ISSN 0950-382X
PubMed: 16677302
DOI: 10.1111/J.1365-2958.2006.05146.X
Page generated: Wed Oct 16 21:16:24 2024
|