Structure of PDB 4gr9 Chain A Binding Site BS01
Receptor Information
>4gr9 Chain A (length=230) Species:
9606
(Homo sapiens) [
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AGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNFEPRA
TDKDITGTLSNPEVFNYGVETHEAYKQRSLASDITDEQKKVREADLVIFQ
FPLYWFSVPAILKGWMDRVLCQGFAFDIPGFYDSGLLQGKLALLSVTTGG
TAEMYTKTGVNGDSRYFLWPLQHGTLHFCGFKVLAPQISFAPEIASEEER
KGMVAAWSQRLQTIWKEEPIPCTAHWHFGQ
Ligand information
Ligand ID
ZN
InChI
InChI=1S/Zn/q+2
InChIKey
PTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Zn+2]
Formula
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
4gr9 Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
4gr9
Synthesis of novel МТ3 receptor ligands via an unusual Knoevenagel condensation.
Resolution
2.291 Å
Binding residue
(original residue number in PDB)
H173 H177 C222
Binding residue
(residue number reindexed from 1)
H173 H177 C222
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
G149 Y155 N161
Catalytic site (residue number reindexed from 1)
G149 Y155 N161
Enzyme Commision number
1.10.5.1
: ribosyldihydronicotinamide dehydrogenase (quinone).
Gene Ontology
Molecular Function
GO:0001512
dihydronicotinamide riboside quinone reductase activity
GO:0003955
NAD(P)H dehydrogenase (quinone) activity
GO:0005515
protein binding
GO:0008270
zinc ion binding
GO:0009055
electron transfer activity
GO:0016491
oxidoreductase activity
GO:0016661
oxidoreductase activity, acting on other nitrogenous compounds as donors
GO:0031404
chloride ion binding
GO:0042803
protein homodimerization activity
GO:0046872
metal ion binding
GO:0071949
FAD binding
GO:1904408
melatonin binding
GO:1905594
resveratrol binding
Biological Process
GO:1901662
quinone catabolic process
Cellular Component
GO:0005654
nucleoplasm
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4gr9
,
PDBe:4gr9
,
PDBj:4gr9
PDBsum
4gr9
PubMed
23131339
UniProt
P16083
|NQO2_HUMAN Ribosyldihydronicotinamide dehydrogenase [quinone] (Gene Name=NQO2)
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