Cadmium in PDB 4qdp: Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose
Enzymatic activity of Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose
All present enzymatic activity of Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose:
5.3.1.5;
Protein crystallography data
The structure of Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose, PDB code: 4qdp
was solved by
A.Y.Kovalevsky,
P.Langan,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.00
|
Space group
|
I 2 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.930,
99.693,
102.973,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
23.1 /
24.7
|
Cadmium Binding Sites:
The binding sites of Cadmium atom in the Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose
(pdb code 4qdp). This binding sites where shown within
5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the
Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose, PDB code: 4qdp:
Jump to Cadmium binding site number:
1;
2;
Cadmium binding site 1 out
of 2 in 4qdp
Go back to
Cadmium Binding Sites List in 4qdp
Cadmium binding site 1 out
of 2 in the Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 1 of Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd401
b:20.8
occ:1.00
|
OE2
|
A:GLU217
|
2.3
|
21.7
|
1.0
|
OD1
|
A:ASP257
|
2.4
|
22.1
|
1.0
|
O
|
A:DOD1001
|
2.4
|
25.4
|
1.0
|
OD2
|
A:ASP255
|
2.4
|
24.0
|
1.0
|
NE2
|
A:HIS220
|
2.4
|
20.3
|
1.0
|
OD1
|
A:ASP255
|
2.5
|
21.4
|
1.0
|
CG
|
A:ASP255
|
2.8
|
22.0
|
1.0
|
D1
|
A:DOD1150
|
2.9
|
35.4
|
1.0
|
D1
|
A:DOD1001
|
2.9
|
31.4
|
1.0
|
OE1
|
A:GLU217
|
2.9
|
21.8
|
1.0
|
CD
|
A:GLU217
|
2.9
|
20.5
|
1.0
|
CD2
|
A:HIS220
|
3.1
|
19.2
|
1.0
|
HD2
|
A:HIS220
|
3.2
|
18.6
|
1.0
|
D2
|
A:DOD1001
|
3.2
|
29.4
|
1.0
|
CG
|
A:ASP257
|
3.2
|
22.5
|
1.0
|
OD2
|
A:ASP257
|
3.4
|
24.4
|
1.0
|
DO3
|
A:ARB403
|
3.4
|
40.8
|
1.0
|
DD21
|
A:ASN247
|
3.4
|
18.1
|
0.9
|
HD21
|
A:ASN247
|
3.4
|
18.1
|
0.1
|
CE1
|
A:HIS220
|
3.5
|
20.0
|
1.0
|
D1
|
A:DOD1017
|
3.6
|
24.3
|
1.0
|
O
|
A:DOD1150
|
3.8
|
35.8
|
1.0
|
HE1
|
A:HIS220
|
3.8
|
21.5
|
1.0
|
HE3
|
A:LYS183
|
4.0
|
23.9
|
1.0
|
DD22
|
A:ASN247
|
4.0
|
18.9
|
1.0
|
ND2
|
A:ASN247
|
4.1
|
20.1
|
1.0
|
D2
|
A:DOD1150
|
4.1
|
37.2
|
1.0
|
CG
|
A:HIS220
|
4.3
|
18.3
|
1.0
|
CB
|
A:ASP255
|
4.3
|
21.6
|
1.0
|
O3
|
A:ARB403
|
4.3
|
38.2
|
1.0
|
D2
|
A:DOD1084
|
4.4
|
37.6
|
1.0
|
OD2
|
A:ASP287
|
4.4
|
23.8
|
1.0
|
DZ1
|
A:LYS183
|
4.4
|
27.1
|
1.0
|
CG
|
A:GLU217
|
4.4
|
19.7
|
1.0
|
ND1
|
A:HIS220
|
4.4
|
20.6
|
1.0
|
O
|
A:DOD1017
|
4.5
|
23.5
|
1.0
|
D1
|
A:DOD1292
|
4.5
|
50.0
|
1.0
|
DZ3
|
A:LYS183
|
4.5
|
25.2
|
1.0
|
HA
|
A:ASP257
|
4.6
|
20.9
|
1.0
|
CB
|
A:ASP257
|
4.7
|
19.9
|
1.0
|
HG2
|
A:GLU217
|
4.7
|
20.6
|
1.0
|
HB2
|
A:ASP255
|
4.7
|
22.2
|
1.0
|
CD
|
A:CD402
|
4.7
|
23.1
|
1.0
|
H
|
A:ASP257
|
4.7
|
20.4
|
0.3
|
D
|
A:ASP257
|
4.7
|
20.4
|
0.7
|
HB3
|
A:ASP255
|
4.7
|
21.5
|
1.0
|
NZ
|
A:LYS183
|
4.8
|
26.3
|
1.0
|
HD2
|
A:LYS183
|
4.8
|
21.5
|
1.0
|
CE
|
A:LYS183
|
4.8
|
23.7
|
1.0
|
DO2
|
A:ARB403
|
4.8
|
53.1
|
1.0
|
HA3
|
A:GLY219
|
5.0
|
20.3
|
1.0
|
HG3
|
A:GLU217
|
5.0
|
20.4
|
1.0
|
|
Cadmium binding site 2 out
of 2 in 4qdp
Go back to
Cadmium Binding Sites List in 4qdp
Cadmium binding site 2 out
of 2 in the Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose
 Mono view
 Stereo pair view
|
A full contact list of Cadmium with other atoms in the Cd binding
site number 2 of Joint X-Ray and Neutron Structure of Streptomyces Rubiginosus D-Xylose Isomerase in Complex with Two CD2+ Ions and Cyclic Beta-L-Arabinose within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cd402
b:23.1
occ:1.00
|
OD2
|
A:ASP287
|
2.2
|
23.8
|
1.0
|
OD2
|
A:ASP245
|
2.2
|
25.1
|
1.0
|
OE2
|
A:GLU181
|
2.3
|
27.1
|
1.0
|
OE1
|
A:GLU217
|
2.3
|
21.8
|
1.0
|
O4
|
A:ARB403
|
2.3
|
37.2
|
1.0
|
DO4
|
A:ARB403
|
2.6
|
38.2
|
1.0
|
O3
|
A:ARB403
|
2.6
|
38.2
|
1.0
|
DO3
|
A:ARB403
|
2.7
|
40.8
|
1.0
|
CD
|
A:GLU181
|
3.1
|
25.8
|
1.0
|
C3
|
A:ARB403
|
3.2
|
42.6
|
1.0
|
H3
|
A:ARB403
|
3.2
|
43.1
|
1.0
|
D1
|
A:DOD1095
|
3.2
|
40.8
|
1.0
|
C4
|
A:ARB403
|
3.2
|
41.4
|
1.0
|
CG
|
A:ASP287
|
3.2
|
22.2
|
1.0
|
OE1
|
A:GLU181
|
3.3
|
26.7
|
1.0
|
CG
|
A:ASP245
|
3.4
|
21.4
|
1.0
|
HB3
|
A:ASP287
|
3.4
|
22.0
|
1.0
|
HB2
|
A:GLU217
|
3.4
|
20.8
|
1.0
|
CD
|
A:GLU217
|
3.5
|
20.5
|
1.0
|
D2
|
A:DOD1001
|
3.5
|
29.4
|
1.0
|
HB2
|
A:ASP287
|
3.6
|
21.9
|
1.0
|
CB
|
A:ASP287
|
3.6
|
21.4
|
1.0
|
HB3
|
A:ASP245
|
3.6
|
20.4
|
1.0
|
HE1
|
A:HIS220
|
3.6
|
21.5
|
1.0
|
H4
|
A:ARB403
|
3.7
|
40.7
|
1.0
|
CB
|
A:ASP245
|
3.9
|
20.6
|
1.0
|
HB2
|
A:ASP245
|
3.9
|
21.5
|
1.0
|
O
|
A:DOD1095
|
3.9
|
39.5
|
1.0
|
HG3
|
A:GLU217
|
3.9
|
20.4
|
1.0
|
O
|
A:DOD1001
|
4.0
|
25.4
|
1.0
|
CG
|
A:GLU217
|
4.1
|
19.7
|
1.0
|
D2
|
A:DOD1095
|
4.1
|
40.0
|
1.0
|
CE1
|
A:HIS220
|
4.1
|
20.0
|
1.0
|
CB
|
A:GLU217
|
4.2
|
19.7
|
1.0
|
OD1
|
A:ASP287
|
4.3
|
23.1
|
1.0
|
HD21
|
A:ASN215
|
4.3
|
25.0
|
0.0
|
DD21
|
A:ASN215
|
4.3
|
25.0
|
1.0
|
OD1
|
A:ASP245
|
4.4
|
23.5
|
1.0
|
H51
|
A:ARB403
|
4.4
|
42.5
|
1.0
|
C5
|
A:ARB403
|
4.5
|
42.2
|
1.0
|
OE2
|
A:GLU217
|
4.5
|
21.7
|
1.0
|
CG
|
A:GLU181
|
4.5
|
23.0
|
1.0
|
C2
|
A:ARB403
|
4.6
|
46.0
|
1.0
|
HB3
|
A:GLU217
|
4.6
|
19.6
|
1.0
|
HZ2
|
A:TRP16
|
4.6
|
23.5
|
1.0
|
NE2
|
A:HIS220
|
4.7
|
20.3
|
1.0
|
CD
|
A:CD401
|
4.7
|
20.8
|
1.0
|
HG3
|
A:GLU181
|
4.7
|
23.4
|
1.0
|
H2
|
A:ARB403
|
4.8
|
46.1
|
1.0
|
D1
|
A:DOD1001
|
4.8
|
31.4
|
1.0
|
H52
|
A:ARB403
|
4.9
|
42.7
|
1.0
|
HG2
|
A:GLU181
|
4.9
|
23.3
|
1.0
|
ND1
|
A:HIS220
|
4.9
|
20.6
|
1.0
|
DD22
|
A:ASN215
|
4.9
|
23.8
|
0.9
|
HD22
|
A:ASN215
|
4.9
|
23.8
|
0.1
|
ND2
|
A:ASN215
|
4.9
|
24.7
|
1.0
|
|
Reference:
P.Langan,
A.K.Sangha,
T.Wymore,
J.M.Parks,
Z.K.Yang,
B.L.Hanson,
Z.Fisher,
S.A.Mason,
M.P.Blakeley,
V.T.Forsyth,
J.P.Glusker,
H.L.Carrell,
J.C.Smith,
D.A.Keen,
D.E.Graham,
A.Kovalevsky.
L-Arabinose Binding, Isomerization, and Epimerization By D-Xylose Isomerase: X-Ray/Neutron Crystallographic and Molecular Simulation Study. Structure V. 22 1287 2014.
ISSN: ISSN 0969-2126
PubMed: 25132082
DOI: 10.1016/J.STR.2014.07.002
Page generated: Fri Jul 19 17:53:00 2024
|