Iodine in PDB 1oxs: Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Protein crystallography data
The structure of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus, PDB code: 1oxs
was solved by
G.Verdon,
S.V.Albers,
B.W.Dijkstra,
A.J.Driessen,
A.M.Thunnissen,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.72 /
1.65
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.028,
48.267,
183.037,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.5 /
20.9
|
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
28;
Binding sites:
The binding sites of Iodine atom in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
(pdb code 1oxs). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 28 binding sites of Iodine where determined in the
Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus, PDB code: 1oxs:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 28 in 1oxs
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Iodine Binding Sites List in 1oxs
Iodine binding site 1 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I601
b:21.3
occ:0.75
|
NZ
|
C:LYS17
|
3.4
|
1.3
|
1.0
|
CE
|
C:LYS17
|
4.0
|
0.1
|
1.0
|
|
Iodine binding site 2 out
of 28 in 1oxs
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Iodine Binding Sites List in 1oxs
Iodine binding site 2 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I602
b:30.6
occ:0.90
|
NH2
|
C:ARG189
|
3.2
|
22.9
|
1.0
|
NH1
|
C:ARG189
|
3.4
|
20.6
|
1.0
|
O
|
C:HOH877
|
3.5
|
39.0
|
1.0
|
O
|
C:HOH744
|
3.6
|
30.1
|
1.0
|
CZ
|
C:ARG189
|
3.7
|
15.0
|
1.0
|
CD1
|
C:LEU155
|
4.1
|
10.0
|
1.0
|
CD1
|
C:ILE127
|
4.3
|
17.9
|
1.0
|
CB
|
C:LEU155
|
4.3
|
4.5
|
1.0
|
CD1
|
C:LEU190
|
4.4
|
10.6
|
1.0
|
CG1
|
C:VAL124
|
4.4
|
12.9
|
1.0
|
CG2
|
C:VAL124
|
4.4
|
10.7
|
1.0
|
CD2
|
C:LEU190
|
4.4
|
8.3
|
1.0
|
CG2
|
C:ILE127
|
4.6
|
21.3
|
1.0
|
NH2
|
C:ARG120
|
4.6
|
10.6
|
1.0
|
CB
|
C:VAL124
|
4.8
|
10.2
|
1.0
|
CG
|
C:LEU190
|
4.8
|
8.8
|
1.0
|
CG
|
C:LEU155
|
4.8
|
7.8
|
1.0
|
CA
|
C:VAL124
|
4.9
|
5.1
|
1.0
|
CB
|
C:ILE127
|
4.9
|
10.9
|
1.0
|
NH1
|
C:ARG120
|
5.0
|
16.4
|
1.0
|
NE
|
C:ARG189
|
5.0
|
12.7
|
1.0
|
O
|
C:LEU155
|
5.0
|
5.4
|
1.0
|
|
Iodine binding site 3 out
of 28 in 1oxs
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Iodine Binding Sites List in 1oxs
Iodine binding site 3 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I603
b:27.4
occ:0.40
|
O
|
C:HOH816
|
3.1
|
26.9
|
1.0
|
OG
|
C:SER234
|
3.2
|
6.0
|
1.0
|
O
|
C:HOH924
|
3.4
|
41.0
|
1.0
|
O
|
C:HOH1080
|
3.4
|
39.9
|
1.0
|
CB
|
C:SER234
|
3.8
|
5.3
|
1.0
|
CG1
|
C:VAL220
|
3.9
|
3.7
|
1.0
|
CG2
|
C:VAL220
|
4.0
|
3.3
|
1.0
|
CB
|
C:VAL220
|
4.1
|
2.0
|
1.0
|
NE2
|
C:GLN236
|
4.4
|
16.0
|
1.0
|
CG2
|
C:VAL237
|
4.5
|
9.3
|
1.0
|
CB
|
C:GLN236
|
4.6
|
12.7
|
1.0
|
CG2
|
C:VAL215
|
4.6
|
9.3
|
1.0
|
CB
|
C:VAL215
|
4.7
|
4.9
|
1.0
|
CG1
|
C:VAL215
|
4.7
|
13.3
|
1.0
|
CG1
|
C:VAL233
|
4.7
|
0.3
|
0.5
|
O
|
C:HOH671
|
4.9
|
27.2
|
1.0
|
|
Iodine binding site 4 out
of 28 in 1oxs
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Iodine Binding Sites List in 1oxs
Iodine binding site 4 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I604
b:30.7
occ:0.60
|
O
|
C:HOH974
|
3.6
|
49.5
|
1.0
|
CA
|
C:ALA179
|
3.8
|
6.8
|
1.0
|
CB
|
C:ALA179
|
3.9
|
10.7
|
1.0
|
O
|
C:HOH694
|
4.0
|
28.4
|
1.0
|
O
|
C:GLY144
|
4.1
|
7.0
|
1.0
|
NE
|
C:ARG148
|
4.1
|
15.1
|
1.0
|
N
|
C:ALA179
|
4.1
|
8.3
|
1.0
|
CD2
|
C:LEU182
|
4.1
|
14.9
|
1.0
|
CA
|
C:GLY144
|
4.2
|
11.1
|
1.0
|
CG
|
C:GLN147
|
4.2
|
16.4
|
1.0
|
CB
|
C:GLN147
|
4.3
|
11.5
|
1.0
|
CG
|
C:ARG148
|
4.4
|
7.8
|
1.0
|
OG
|
C:SER178
|
4.5
|
28.0
|
1.0
|
C
|
C:SER178
|
4.5
|
16.0
|
1.0
|
C
|
C:GLY144
|
4.6
|
7.7
|
1.0
|
NH2
|
C:ARG148
|
4.6
|
22.1
|
1.0
|
O
|
C:SER178
|
4.6
|
12.0
|
1.0
|
CZ
|
C:ARG148
|
4.7
|
14.9
|
1.0
|
CB
|
C:LEU182
|
4.8
|
9.1
|
1.0
|
CD
|
C:ARG148
|
4.8
|
17.3
|
1.0
|
|
Iodine binding site 5 out
of 28 in 1oxs
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Iodine Binding Sites List in 1oxs
Iodine binding site 5 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I605
b:16.4
occ:0.85
|
N
|
C:SER334
|
3.6
|
5.2
|
1.0
|
O
|
C:HOH801
|
3.9
|
19.9
|
1.0
|
CB
|
C:HIS333
|
4.0
|
2.5
|
1.0
|
CA
|
C:HIS333
|
4.1
|
4.5
|
1.0
|
CB
|
C:SER334
|
4.1
|
13.8
|
1.0
|
CD1
|
C:ILE304
|
4.1
|
17.3
|
1.0
|
C
|
C:HIS333
|
4.4
|
5.3
|
1.0
|
CA
|
C:SER334
|
4.5
|
5.3
|
1.0
|
CG1
|
C:ILE304
|
4.8
|
13.1
|
1.0
|
O
|
C:HOH854
|
5.0
|
21.0
|
1.0
|
|
Iodine binding site 6 out
of 28 in 1oxs
Go back to
Iodine Binding Sites List in 1oxs
Iodine binding site 6 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I606
b:30.4
occ:0.70
|
CD1
|
C:LEU97
|
3.5
|
16.4
|
0.5
|
N
|
C:ASN96
|
3.6
|
4.6
|
1.0
|
CB
|
C:TYR94
|
3.7
|
7.5
|
1.0
|
CD2
|
C:TYR94
|
3.8
|
39.6
|
1.0
|
O
|
C:HOH831
|
3.8
|
42.0
|
1.0
|
CB
|
C:ASN96
|
3.9
|
2.8
|
1.0
|
CD
|
C:PRO95
|
4.0
|
6.8
|
1.0
|
CA
|
C:ASN96
|
4.1
|
3.8
|
1.0
|
N
|
C:PRO95
|
4.1
|
3.3
|
1.0
|
CG
|
C:TYR94
|
4.2
|
28.6
|
1.0
|
C
|
C:TYR94
|
4.3
|
4.5
|
1.0
|
CA
|
C:TYR94
|
4.3
|
5.1
|
1.0
|
C
|
C:ASN96
|
4.4
|
4.3
|
1.0
|
O
|
C:HOH1049
|
4.4
|
48.7
|
1.0
|
CG
|
C:PRO95
|
4.5
|
12.5
|
1.0
|
N
|
C:LEU97
|
4.6
|
5.3
|
1.0
|
C
|
C:PRO95
|
4.7
|
7.0
|
1.0
|
CG
|
C:LEU97
|
4.8
|
8.3
|
0.5
|
O
|
C:TYR94
|
4.9
|
6.2
|
1.0
|
CE2
|
C:TYR94
|
4.9
|
49.1
|
1.0
|
CA
|
C:PRO95
|
4.9
|
3.6
|
1.0
|
CG
|
C:LEU97
|
4.9
|
14.0
|
0.5
|
O
|
C:ASN96
|
4.9
|
8.7
|
1.0
|
|
Iodine binding site 7 out
of 28 in 1oxs
Go back to
Iodine Binding Sites List in 1oxs
Iodine binding site 7 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I607
b:24.6
occ:0.30
|
ND2
|
C:ASN135
|
2.6
|
45.5
|
1.0
|
CG
|
C:ASN135
|
3.2
|
16.4
|
1.0
|
OD1
|
C:ASN135
|
3.3
|
66.3
|
1.0
|
O
|
C:HOH674
|
3.4
|
22.6
|
1.0
|
CB
|
C:PHE100
|
4.0
|
2.1
|
1.0
|
CB
|
C:LEU134
|
4.0
|
3.2
|
1.0
|
N
|
C:ASN135
|
4.2
|
3.4
|
1.0
|
C
|
C:LEU134
|
4.2
|
4.0
|
1.0
|
CG
|
C:PHE100
|
4.2
|
4.8
|
1.0
|
O
|
C:LEU134
|
4.2
|
3.7
|
1.0
|
CD1
|
C:PHE100
|
4.3
|
7.5
|
1.0
|
O
|
C:HOH1068
|
4.3
|
45.0
|
1.0
|
CA
|
C:ASN135
|
4.3
|
1.8
|
1.0
|
CB
|
C:ASN135
|
4.3
|
7.7
|
1.0
|
O
|
C:HOH894
|
4.7
|
37.3
|
1.0
|
CA
|
C:LEU134
|
4.8
|
4.5
|
1.0
|
|
Iodine binding site 8 out
of 28 in 1oxs
Go back to
Iodine Binding Sites List in 1oxs
Iodine binding site 8 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I608
b:30.5
occ:0.50
|
CE
|
C:LYS14
|
3.6
|
44.0
|
1.0
|
O
|
C:HOH1005
|
4.2
|
41.4
|
1.0
|
NZ
|
C:LYS14
|
4.2
|
31.6
|
1.0
|
CE
|
C:LYS17
|
4.2
|
0.1
|
1.0
|
CG2
|
C:VAL18
|
4.6
|
16.0
|
1.0
|
CD
|
C:LYS14
|
4.6
|
30.0
|
1.0
|
CD
|
C:LYS17
|
4.8
|
4.7
|
1.0
|
NZ
|
C:LYS17
|
4.8
|
1.3
|
1.0
|
|
Iodine binding site 9 out
of 28 in 1oxs
Go back to
Iodine Binding Sites List in 1oxs
Iodine binding site 9 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I609
b:27.8
occ:0.30
|
O
|
C:HOH671
|
3.3
|
27.2
|
1.0
|
N
|
C:ILE235
|
3.3
|
5.9
|
1.0
|
CG2
|
C:ILE235
|
3.7
|
11.0
|
1.0
|
CB
|
C:PHE350
|
3.8
|
5.2
|
1.0
|
CG
|
C:PHE350
|
3.9
|
6.8
|
1.0
|
CB
|
C:SER234
|
3.9
|
5.3
|
1.0
|
CA
|
C:SER234
|
3.9
|
5.1
|
1.0
|
CB
|
C:ILE235
|
4.1
|
8.8
|
1.0
|
C
|
C:SER234
|
4.1
|
4.7
|
1.0
|
CD2
|
C:PHE350
|
4.2
|
5.5
|
1.0
|
CA
|
C:ILE235
|
4.3
|
3.8
|
1.0
|
CD1
|
C:PHE350
|
4.4
|
7.0
|
1.0
|
O
|
C:GLU351
|
4.7
|
15.5
|
1.0
|
CE2
|
C:PHE350
|
4.9
|
11.2
|
1.0
|
O
|
C:HOH929
|
5.0
|
39.2
|
1.0
|
|
Iodine binding site 10 out
of 28 in 1oxs
Go back to
Iodine Binding Sites List in 1oxs
Iodine binding site 10 out
of 28 in the Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of Crystal Structure of Glcv, the Abc-Atpase of the Glucose Abc Transporter From Sulfolobus Solfataricus within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I610
b:23.8
occ:0.30
|
O
|
C:HOH768
|
3.1
|
28.2
|
1.0
|
O
|
C:HOH694
|
3.2
|
28.4
|
1.0
|
CG2
|
C:VAL183
|
3.3
|
11.7
|
1.0
|
NE2
|
C:GLN147
|
3.3
|
29.3
|
1.0
|
CE2
|
C:PHE168
|
3.9
|
14.4
|
1.0
|
CG1
|
C:VAL87
|
4.0
|
17.1
|
1.0
|
CD1
|
C:LEU151
|
4.2
|
10.1
|
1.0
|
CD2
|
C:LEU164
|
4.3
|
22.7
|
0.5
|
CD2
|
C:LEU164
|
4.3
|
15.6
|
0.5
|
CD
|
C:GLN147
|
4.3
|
22.6
|
1.0
|
CG
|
C:GLN147
|
4.3
|
16.4
|
1.0
|
CB
|
C:PRO167
|
4.3
|
12.4
|
1.0
|
CD2
|
C:LEU151
|
4.4
|
14.1
|
1.0
|
CG2
|
C:VAL87
|
4.5
|
13.9
|
1.0
|
CD2
|
C:PHE168
|
4.5
|
11.2
|
1.0
|
CB
|
C:VAL87
|
4.6
|
8.2
|
1.0
|
CB
|
C:LEU151
|
4.6
|
9.9
|
1.0
|
CG
|
C:LEU151
|
4.7
|
13.2
|
1.0
|
O
|
C:HOH1039
|
4.7
|
36.7
|
1.0
|
O
|
C:PRO167
|
4.7
|
17.4
|
1.0
|
CB
|
C:VAL183
|
4.8
|
10.9
|
1.0
|
CZ
|
C:PHE168
|
4.8
|
16.1
|
1.0
|
O
|
C:GLN147
|
5.0
|
9.6
|
1.0
|
|
Reference:
G.Verdon,
S.V.Albers,
B.W.Dijkstra,
A.J.Driessen,
A.M.Thunnissen.
Crystal Structures of the Atpase Subunit of the Glucose Abc Transporter From Sulfolobus Solfataricus: Nucleotide-Free and Nucleotide-Bound Conformations J.Mol.Biol. V. 330 343 2003.
ISSN: ISSN 0022-2836
PubMed: 12823973
DOI: 10.1016/S0022-2836(03)00575-8
Page generated: Sun Aug 11 12:33:50 2024
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