Structure of PDB 7g8h Chain B Binding Site BS01

Receptor Information
>7g8h Chain B (length=245) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMEMDEKDFAADSWSLAVDSSFLQQHKKEVMKQQDVIYELIQTELHHVRT
LKIMTRLFRTGMLEELHLEPGVVQGLFPCVDELSDIHTRFLSQLLERRRQ
ALCPGSTRNFVIHRLGDLLISQFSGPSAEQMCKTYSEFCSRHSKALKLYK
ELYARDKRFQQFIRKVTRPAVLKRHGVQECILLVTQRITKYPLLISRILQ
HSHGIEEERQDLTTALGLVKELLSNVDEGIYQLEKGARLQEIYNR
Ligand information
Ligand IDYXU
InChIInChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3
InChIKeyWTIFEVSWZUSXQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(n1)cc[nH]2
CACTVS 3.385COc1ccc2[nH]ccc2n1
ACDLabs 12.01COc1ccc2[NH]ccc2n1
FormulaC8 H8 N2 O
Name5-methoxy-1H-pyrrolo[3,2-b]pyridine
ChEMBL
DrugBank
ZINCZINC000008700518
PDB chain7g8h Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7g8h ARHGEF2 PanDDA analysis group deposition
Resolution1.67 Å
Binding residue
(original residue number in PDB)		K235 D238
Binding residue
(residue number reindexed from 1)		K32 D35
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005085 guanyl-nucleotide exchange factor activity

View graph for
Molecular Function
External links
PDB RCSB:7g8h, PDBe:7g8h, PDBj:7g8h
PDBsum7g8h
PubMed
UniProtQ92974|ARHG2_HUMAN Rho guanine nucleotide exchange factor 2 (Gene Name=ARHGEF2)

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