Structure of PDB 8rgk Chain A Binding Site BS06

Receptor Information

>8rgk Chain A (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 ID

MYR

InChI

InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)

InChIKey

TUNFSRHWOTWDNC-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6	CCCCCCCCCCCCCC(=O)O
ACDLabs 12.01	O=C(O)CCCCCCCCCCCCC

Formula

C14 H28 O2

Name

MYRISTIC ACID

PDB chain

8rgk Chain A Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8rgk Structural and mechanistic insights into the transport of aristolochic acids and their active metabolites by human serum albumin.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	R117 Y138 I142 F157 A158 Y161 F165 R186
Binding residue (residue number reindexed from 1)	R115 Y136 I140 F155 A156 Y159 F163 R184
Annotation score	4

External links

PDB	RCSB:8rgk, PDBe:8rgk, PDBj:8rgk
PDBsum	8rgk
PubMed	38782206
UniProt	P02768\|ALBU_HUMAN Albumin (Gene Name=ALB)

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