Structure of PDB 1a5v Chain A Binding Site BS02
Receptor Information
>1a5v Chain A (length=146) Species:
11889
(Rous sarcoma virus (strain Schmidt-Ruppin)) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
GLGPLQIWQTDFTLEPRMAPRSWLAVTVDTASSAIVVTQHGRVTSVAAQH
HWATAIAVLGRPKAIKTDNGSCFTSKSTREWLARWGIAHTTGIPGNSQGQ
AMVERANRLLKDKIRVLAEGDGFMKRIPTSKQGELLAKAMYALNHF
Ligand information
Ligand ID
Y3
InChI
InChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)
InChIKey
DACUJXBUANTBKE-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
CC(=O)Nc1cc(cc2cc(cc(O)c12)[S](O)(=O)=O)[S](O)(=O)=O
OpenEye OEToolkits 1.5.0
CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O
ACDLabs 10.04
O=S(=O)(O)c1cc(NC(=O)C)c2c(c1)cc(cc2O)S(=O)(=O)O
Formula
C12 H11 N O8 S2
Name
4-ACETYLAMINO-5-HYDROXYNAPHTHALENE-2,7-DISULFONIC ACID
ChEMBL
CHEMBL144613
DrugBank
ZINC
ZINC000001621007
PDB chain
1a5v Chain A Residue 1 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
1a5v
Structure of the catalytic domain of avian sarcoma virus integrase with a bound HIV-1 integrase-targeted inhibitor.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
Q62 A154 M155
Binding residue
(residue number reindexed from 1)
Q9 A101 M102
Annotation score
1
Binding affinity
MOAD
: ic50=800uM
PDBbind-CN
: -logKd/Ki=3.10,IC50=800uM
Enzymatic activity
Enzyme Commision number
2.7.7.-
2.7.7.49
: RNA-directed DNA polymerase.
2.7.7.7
: DNA-directed DNA polymerase.
3.1.-.-
3.1.26.4
: ribonuclease H.
3.4.23.-
Gene Ontology
Molecular Function
GO:0003676
nucleic acid binding
Biological Process
GO:0015074
DNA integration
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:1a5v
,
PDBe:1a5v
,
PDBj:1a5v
PDBsum
1a5v
PubMed
9560188
UniProt
O92956
|POL_RSVSB Gag-Pol polyprotein (Gene Name=gag-pol)
[
Back to BioLiP
]