Structure of PDB 9eqg Chain A Binding Site BS01

Receptor Information

>9eqg Chain A (length=352) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DNTTVFTRILDRLLDGYDNRLRPGLGERVTEVKTDIFVTSFGPVSDHDME
YTIDVFFRQSWKDERLKFKGPMTVLRLNNLMASKIWTPDTFFHNGKKSVA
HNMTMPNKLLRITEDGTLLYTMRLTVRAECPMHLEDFPMDAHACPLKFGS
YAYTRAEVVYEWTREPARSVVVAEDGSRLNQYDLLGQTVDSGIVQSSTGE
YVVMTTHFHLKRKIGYFVIQTYLPCIMTVILSQVSFWLNRESVPARTVFG
VTTVLTMTTLSISARNSLPKVAYATAMDWFIAVCYAFVFSALIEFATVNY
FTKRGYAWDGKSVVPEKKTFNSVSKIDRLSRIAFPLLFGIFNLVYWATYL
NR

Ligand information

Ligand ID

PGW

InChI

InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1

InChIKey

PAZGBAOHGQRCBP-HGWHEPCSSA-N

SMILES

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
ACDLabs 10.04	O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C/CCCCCCCC

Formula

C40 H77 O10 P

Name

(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate;
1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)];
PHOSPHATIDYLGLYCEROL

PDB chain

9eqg Chain A Residue 501 [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	9eqg A brain-to-gut signal controls intestinal fat absorption.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	K222 I239
Binding residue (residue number reindexed from 1)	K213 I230
Annotation score	1

External links

PDB	RCSB:9eqg, PDBe:9eqg, PDBj:9eqg
PDBsum	9eqg
PubMed	39261733
UniProt	P14867\|GBRA1_HUMAN Gamma-aminobutyric acid receptor subunit alpha-1 (Gene Name=GABRA1)

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