Structure of PDB 8rco Chain B Binding Site BS06

Receptor Information
>8rco Chain B (length=582) Species: 9606 (Homo sapiens) [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 chain8rco Chain B Residue 608 [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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PDB8rco Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K199 L219 F223 L238 H242 L260 S287 I290 A291
Binding residue
(residue number reindexed from 1)		K197 L217 F221 L236 H240 L258 S285 I288 A289
Annotation score1
External links
PDB RCSB:8rco, PDBe:8rco, PDBj:8rco
PDBsum8rco
PubMed38782206
UniProtP02768|ALBU_HUMAN Albumin (Gene Name=ALB)

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