Structure of PDB 5v0f Chain A Binding Site BS01

Receptor Information
>5v0f Chain A (length=119) Species: 471852 (Thermomonospora curvata DSM 43183) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSRVQLALRVPDLEASIGFYSKLFGTGPAKVRPGYANFAIAEPPLKLVLI
EGAGEDATRLDHLGVEVEDSAQVGHAARRLKESGLATVEENDTACCYAVQ
DAVWVTGPGGEPWEVYVVK
Ligand information
Ligand IDRXO
InChIInChI=1S/C6H6AsNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
InChIKeyPOYWCBSQXBGKKH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1[AsH2])[N+](=O)[O-])O
ACDLabs 12.01O=[N+]([O-])c1cc(ccc1O)[AsH2]
CACTVS 3.385Oc1ccc([AsH2])cc1[N+]([O-])=O
FormulaC6 H6 As N O3
Name4-arsanyl-2-nitrophenol
ChEMBL
DrugBank
ZINC
PDB chain5v0f Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5v0f Crystal structure of C-As lyase with mutation K105A and substrate Roxarsone.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		D64 H65 C98 C99 W107
Binding residue
(residue number reindexed from 1)		D61 H62 C95 C96 W104
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links