Structure of PDB 5rkg Chain A Binding Site BS01
Receptor Information
>5rkg Chain A (length=119) Species:
9606
(Homo sapiens) [
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YDIQAWKKQCEELLNLIFQCEDSEPFRQPVDLLEYPDYRDIIDTPMDFAT
VRETLEAGNYESPMELCKDVRLIFSNSKAYTPSKRSRIYSMSLRLSAFFE
EHISSVLSDYKSALRFHKR
Ligand information
Ligand ID
GOJ
InChI
InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKey
KACZQOKEFKFNDB-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6
CCOC(=O)c1c[nH]nc1
Formula
C6 H8 N2 O2
Name
ethyl 1~{H}-pyrazole-4-carboxylate
ChEMBL
CHEMBL4461273
DrugBank
ZINC
ZINC000000409316
PDB chain
5rkg Chain A Residue 1501 [
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Receptor-Ligand Complex Structure
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PDB
5rkg
PanDDA analysis group deposition of ground-state model
Resolution
1.282 Å
Binding residue
(original residue number in PDB)
V1345 S1392 Y1395 T1396 I1403
Binding residue
(residue number reindexed from 1)
V30 S77 Y80 T81 I88
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:5rkg
,
PDBe:5rkg
,
PDBj:5rkg
PDBsum
5rkg
PubMed
UniProt
Q8WWQ0
|PHIP_HUMAN PH-interacting protein (Gene Name=PHIP)
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