Cadmium in PDB 4q0y: Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution, PDB code: 4q0y
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.68 /
1.70
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
34.224,
96.134,
118.711,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
18.4 /
20.2
|
Cadmium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
17;
Binding sites:
The binding sites of Cadmium atom in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
(pdb code 4q0y). This binding sites where shown within
5.0 Angstroms radius around Cadmium atom.
In total 17 binding sites of Cadmium where determined in the
Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution, PDB code: 4q0y:
Jump to Cadmium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Cadmium binding site 1 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 1 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 1 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd201
b:16.8
occ:0.60
|
OE2
|
A:GLU33
|
2.2
|
27.4
|
1.0
|
O
|
B:HOH398
|
2.2
|
10.8
|
0.6
|
O
|
A:HOH393
|
2.2
|
14.0
|
1.0
|
O
|
B:HOH395
|
2.3
|
10.8
|
0.4
|
O
|
B:HOH396
|
2.4
|
26.4
|
1.0
|
OE1
|
A:GLU33
|
2.5
|
27.8
|
1.0
|
CD
|
A:GLU33
|
2.7
|
24.3
|
1.0
|
O
|
B:HOH395
|
2.9
|
11.8
|
0.6
|
O
|
B:HOH398
|
2.9
|
11.7
|
0.4
|
NZ
|
B:LYS69
|
3.8
|
28.8
|
1.0
|
CB
|
B:SER66
|
4.2
|
19.0
|
1.0
|
OG
|
B:SER66
|
4.2
|
19.1
|
1.0
|
CG
|
A:GLU33
|
4.2
|
21.7
|
1.0
|
O
|
A:HOH394
|
4.3
|
28.7
|
1.0
|
O
|
A:ASN73
|
4.4
|
15.8
|
1.0
|
OE2
|
B:GLU62
|
4.4
|
38.7
|
1.0
|
CE
|
B:LYS69
|
4.4
|
28.3
|
1.0
|
CD
|
B:LYS69
|
4.5
|
23.1
|
1.0
|
CA
|
B:SER66
|
4.5
|
15.4
|
1.0
|
O
|
A:HOH340
|
4.5
|
29.1
|
1.0
|
O
|
B:HOH397
|
4.6
|
38.6
|
1.0
|
CA
|
A:GLY0
|
4.8
|
63.8
|
1.0
|
O
|
B:SER35
|
4.8
|
19.0
|
1.0
|
O
|
B:HOH399
|
4.8
|
36.0
|
1.0
|
|
Cadmium binding site 2 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 2 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 2 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd202
b:21.5
occ:0.70
|
OE2
|
A:GLU62
|
2.3
|
20.2
|
1.0
|
O
|
A:HOH397
|
2.3
|
30.6
|
1.0
|
O
|
A:HOH396
|
2.4
|
7.9
|
1.0
|
O
|
B:HOH402
|
2.5
|
20.4
|
0.5
|
O
|
A:HOH403
|
2.5
|
43.6
|
1.0
|
OE1
|
A:GLU62
|
2.5
|
20.9
|
1.0
|
CD
|
A:GLU62
|
2.8
|
21.6
|
1.0
|
O
|
B:HOH404
|
3.3
|
39.1
|
1.0
|
O
|
B:HOH402
|
4.0
|
19.2
|
0.5
|
CG
|
A:GLU62
|
4.3
|
20.7
|
1.0
|
CB
|
A:SER36
|
4.5
|
16.1
|
1.0
|
CB
|
A:SER66
|
4.6
|
19.1
|
0.5
|
O
|
A:LEU37
|
4.6
|
15.7
|
1.0
|
CB
|
A:SER66
|
4.7
|
22.1
|
0.5
|
CA
|
A:SER36
|
4.7
|
16.5
|
1.0
|
N
|
A:LEU37
|
4.8
|
14.9
|
1.0
|
O
|
B:HOH403
|
4.8
|
51.5
|
1.0
|
CA
|
A:SER66
|
4.9
|
19.0
|
0.5
|
CA
|
A:SER66
|
4.9
|
20.4
|
0.5
|
N
|
A:SER66
|
5.0
|
17.3
|
1.0
|
|
Cadmium binding site 3 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 3 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 3 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd203
b:30.4
occ:0.50
|
O
|
A:HOH412
|
2.0
|
27.3
|
1.0
|
O
|
A:HOH398
|
2.5
|
27.3
|
1.0
|
OD2
|
A:ASP115
|
2.6
|
27.1
|
1.0
|
OD1
|
A:ASP115
|
2.8
|
25.8
|
1.0
|
O
|
A:HOH411
|
2.9
|
37.6
|
1.0
|
CG
|
A:ASP115
|
3.1
|
23.2
|
1.0
|
O
|
A:HOH369
|
3.2
|
37.7
|
1.0
|
CB
|
A:ASP115
|
4.5
|
20.8
|
1.0
|
CE
|
A:LYS106
|
4.6
|
21.5
|
1.0
|
O
|
A:HOH399
|
4.8
|
18.2
|
0.5
|
|
Cadmium binding site 4 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 4 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 4 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd204
b:34.2
occ:0.50
|
OE2
|
A:GLU109
|
2.2
|
42.6
|
1.0
|
O
|
A:HOH401
|
2.5
|
52.4
|
1.0
|
O
|
A:HOH335
|
2.5
|
30.6
|
1.0
|
OD2
|
A:ASP110
|
2.6
|
39.2
|
1.0
|
CD
|
A:GLU109
|
3.2
|
32.8
|
1.0
|
CG
|
A:GLU109
|
3.5
|
29.4
|
1.0
|
O
|
A:HOH301
|
3.5
|
16.8
|
1.0
|
CG
|
A:ASP110
|
3.6
|
41.7
|
1.0
|
O
|
A:HOH358
|
4.1
|
31.1
|
1.0
|
OD1
|
A:ASP110
|
4.1
|
48.1
|
1.0
|
O
|
A:HOH402
|
4.1
|
17.1
|
0.5
|
OE1
|
A:GLU109
|
4.3
|
34.7
|
1.0
|
O
|
A:HOH402
|
4.3
|
27.6
|
0.5
|
CB
|
A:ASP110
|
4.9
|
38.3
|
1.0
|
CB
|
A:GLU109
|
5.0
|
25.7
|
1.0
|
|
Cadmium binding site 5 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 5 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 5 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd205
b:29.1
occ:0.50
|
O
|
A:HOH407
|
2.1
|
43.2
|
1.0
|
O
|
A:HOH406
|
2.2
|
33.8
|
1.0
|
OE1
|
A:GLU63
|
2.6
|
41.2
|
1.0
|
O
|
A:HOH330
|
2.7
|
17.9
|
1.0
|
OE2
|
A:GLU63
|
3.2
|
68.2
|
1.0
|
CD
|
A:GLU63
|
3.2
|
56.5
|
1.0
|
OD1
|
A:ASP61
|
3.4
|
33.4
|
0.4
|
CG
|
A:ASP61
|
4.2
|
27.0
|
0.4
|
N
|
A:GLU62
|
4.4
|
19.4
|
1.0
|
CB
|
A:GLU62
|
4.6
|
21.4
|
1.0
|
OD2
|
A:ASP61
|
4.6
|
31.4
|
0.4
|
CG
|
A:GLU63
|
4.7
|
46.7
|
1.0
|
N
|
A:GLU63
|
4.8
|
24.5
|
1.0
|
CA
|
A:GLU62
|
5.0
|
18.9
|
1.0
|
|
Cadmium binding site 6 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 6 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 6 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd206
b:15.0
occ:0.60
|
OD2
|
A:ASP89
|
2.2
|
35.6
|
1.0
|
O
|
A:HOH312
|
2.3
|
22.6
|
1.0
|
CG
|
A:ASP89
|
2.9
|
30.6
|
1.0
|
OD1
|
A:ASP89
|
2.9
|
30.4
|
1.0
|
O
|
A:HOH347
|
4.2
|
35.6
|
1.0
|
CB
|
A:ASP89
|
4.4
|
31.8
|
1.0
|
|
Cadmium binding site 7 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 7 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 7 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd201
b:22.6
occ:0.80
|
OD1
|
B:ASP89
|
2.4
|
26.2
|
1.0
|
O
|
B:HOH336
|
2.4
|
22.0
|
1.0
|
O
|
B:HOH301
|
2.4
|
7.7
|
1.0
|
OD2
|
B:ASP89
|
2.8
|
31.2
|
1.0
|
CG
|
B:ASP89
|
3.0
|
28.6
|
1.0
|
CB
|
B:ASP89
|
4.5
|
23.6
|
1.0
|
|
Cadmium binding site 8 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 8 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 8 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd202
b:32.5
occ:0.50
|
O
|
C:HOH384
|
1.9
|
28.0
|
1.0
|
O
|
B:HOH423
|
2.3
|
39.0
|
1.0
|
O
|
C:HOH385
|
2.3
|
25.6
|
1.0
|
O
|
C:HOH316
|
2.6
|
18.0
|
1.0
|
O
|
C:HOH401
|
2.6
|
48.8
|
1.0
|
O
|
B:HOH344
|
2.9
|
41.2
|
1.0
|
O
|
C:HOH383
|
3.5
|
33.8
|
1.0
|
O
|
B:ASP126
|
4.0
|
19.2
|
1.0
|
OD1
|
C:ASP54
|
4.0
|
34.6
|
1.0
|
CD
|
C:CD201
|
4.1
|
23.6
|
0.7
|
O
|
C:HOH348
|
4.2
|
24.3
|
1.0
|
O
|
B:GLY125
|
4.2
|
19.7
|
1.0
|
NZ
|
B:LYS153
|
4.3
|
26.2
|
1.0
|
C
|
B:GLY125
|
4.7
|
19.6
|
1.0
|
C
|
B:ASP126
|
4.9
|
19.9
|
1.0
|
CB
|
C:ASN53
|
4.9
|
31.9
|
1.0
|
CG
|
C:ASP54
|
5.0
|
31.0
|
1.0
|
|
Cadmium binding site 9 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 9 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 9 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd203
b:27.6
occ:0.50
|
OE1
|
B:GLU62
|
2.2
|
31.3
|
1.0
|
O
|
A:HOH394
|
2.2
|
28.7
|
1.0
|
O
|
B:HOH399
|
2.3
|
36.0
|
1.0
|
O
|
A:HOH395
|
2.5
|
33.5
|
1.0
|
OE2
|
B:GLU62
|
2.5
|
38.7
|
1.0
|
CD
|
B:GLU62
|
2.7
|
31.5
|
1.0
|
O
|
A:GLY0
|
3.9
|
53.1
|
1.0
|
N
|
A:GLY0
|
3.9
|
72.3
|
1.0
|
CA
|
A:GLY0
|
4.0
|
63.8
|
1.0
|
O
|
B:LEU37
|
4.1
|
20.4
|
1.0
|
O
|
B:HOH347
|
4.1
|
30.9
|
1.0
|
C
|
A:GLY0
|
4.1
|
54.6
|
1.0
|
CG
|
B:GLU62
|
4.2
|
23.2
|
1.0
|
O
|
B:HOH396
|
4.7
|
26.4
|
1.0
|
OE2
|
A:GLU33
|
4.7
|
27.4
|
1.0
|
O
|
B:HOH395
|
4.8
|
10.8
|
0.4
|
O
|
B:HOH395
|
4.8
|
11.8
|
0.6
|
CB
|
B:GLU62
|
5.0
|
18.9
|
1.0
|
|
Cadmium binding site 10 out
of 17 in 4q0y
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Cadmium Binding Sites List in 4q0y
Cadmium binding site 10 out
of 17 in the Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution
Mono view
Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 10 of Crystal Structure of A Hypothetical Protein (CLOSPO_01618) From Clostridium Sporogenes Atcc 15579 at 1.70 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cd204
b:22.7
occ:0.80
|
O
|
B:HOH408
|
2.1
|
45.9
|
1.0
|
OE1
|
B:GLU109
|
2.3
|
31.0
|
1.0
|
O
|
B:HOH359
|
2.5
|
25.4
|
1.0
|
OE2
|
B:GLU109
|
2.7
|
42.9
|
1.0
|
CD
|
B:GLU109
|
2.8
|
32.5
|
1.0
|
SE
|
B:MSE32
|
3.5
|
65.2
|
0.8
|
CG
|
B:MSE32
|
4.3
|
56.7
|
1.0
|
CG
|
B:GLU109
|
4.3
|
29.0
|
1.0
|
OH
|
B:TYR107
|
4.8
|
18.0
|
1.0
|
CE2
|
B:TYR107
|
4.9
|
16.6
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Fri Jul 19 17:50:14 2024
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