Structure of PDB 7g88 Chain B Binding Site BS01

Receptor Information
>7g88 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 IDWKY
InChIInChI=1S/C8H10N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)
InChIKeyDHUDCBCQKIWLSB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cnccc1NC(=O)C
CACTVS 3.385CC(=O)Nc1ccncc1C
ACDLabs 12.01c1(cnccc1NC(C)=O)C
FormulaC8 H10 N2 O
NameN-(3-methylpyridin-4-yl)acetamide
ChEMBL
DrugBank
ZINCZINC000003953294
PDB chain7g88 Chain A Residue 201 [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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PDB7g88 ARHGEF2 PanDDA analysis group deposition
Resolution1.869 Å
Binding residue
(original residue number in PDB)		Q381 E382 L385
Binding residue
(residue number reindexed from 1)		Q178 E179 L182
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:7g88, PDBe:7g88, PDBj:7g88
PDBsum7g88
PubMed
UniProtQ92974|ARHG2_HUMAN Rho guanine nucleotide exchange factor 2 (Gene Name=ARHGEF2)

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