Structure of PDB 3qin Chain A Binding Site BS01
Receptor Information
>3qin Chain A (length=137) Species:
11706,83333
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MYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQ
KTELQAIYLALQDSGLEVNIVTDSQYALGIITQWIHNWKVKNVDLVNQII
EQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKV
Ligand information
Ligand ID
MN
InChI
InChI=1S/Mn/q+2
InChIKey
WAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341
[Mn++]
Formula
Mn
Name
MANGANESE (II) ION
ChEMBL
DrugBank
DB06757
ZINC
PDB chain
3qin Chain A Residue 1 [
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Receptor-Ligand Complex Structure
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PDB
3qin
Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
Resolution
1.6967 Å
Binding residue
(original residue number in PDB)
D443 E478 D498
Binding residue
(residue number reindexed from 1)
D18 E53 D73
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
D443 G444 E478 D498 H539 D549
Catalytic site (residue number reindexed from 1)
D18 G19 E53 D73 H117 D127
Enzyme Commision number
2.7.7.-
2.7.7.49
: RNA-directed DNA polymerase.
2.7.7.7
: DNA-directed DNA polymerase.
3.1.-.-
3.1.13.2
: exoribonuclease H.
3.1.26.13
: retroviral ribonuclease H.
3.1.26.4
: ribonuclease H.
3.4.23.16
: HIV-1 retropepsin.
Gene Ontology
Molecular Function
GO:0003676
nucleic acid binding
GO:0004523
RNA-DNA hybrid ribonuclease activity
View graph for
Molecular Function
External links
PDB
RCSB:3qin
,
PDBe:3qin
,
PDBj:3qin
PDBsum
3qin
PubMed
21464257
UniProt
P04585
|POL_HV1H2 Gag-Pol polyprotein (Gene Name=gag-pol);
P0A7Y4
|RNH_ECOLI Ribonuclease HI (Gene Name=rnhA)
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