Structure of PDB 7ov5 Chain A Binding Site BS01

Receptor Information
>7ov5 Chain A (length=582) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKT
CVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECF
LQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAP
ELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCAS
LQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLE
CADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADL
PSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKT
YETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYK
FQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDY
LSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEF
NAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFA
AFVEKCCKADDKETCFAEEGKKLVAASQAALG
Ligand information
Ligand IDGOR
InChIInChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
InChIKeyMEEXETVZNQYRSP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+]([O-])=O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-]
FormulaC16 H9 N O6
Name6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
ChEMBLCHEMBL602280
DrugBank
ZINCZINC000002383163
PDB chain7ov5 Chain A Residue 610 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ov5 Structural and mechanistic insights for the binding of aristolochic acids and their active metabolites to human serum albumin
Resolution Å
Binding residue
(original residue number in PDB)		K199 W214 L219 F223 L238 H242 L260 S287 I290 A291
Binding residue
(residue number reindexed from 1)		K197 W212 L217 F221 L236 H240 L258 S285 I288 A289
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links