Structure of PDB 2g7z Chain A Binding Site BS03

Receptor Information

>2g7z Chain A (length=275) Species: 160490 (Streptococcus pyogenes M1 GAS)

AMGTIKIVTDSSITIEPELIKALDITVVPLSVMIDSKLYSDNDLKEEGHF
LSLMKASKSLPKTSQPPVGLFAETYENLVKKGVTDIVAIHLSPALSGTIE
ASRQGAEIAEAPVTVLDSGFTDQAMKFQVVEAAKMAKAGASLNEILAAVQ
AIKSKTELYIGVSTLENLVKGGRIGRVTGLNVKVVMALKNDELKTLVKGR
GNKTFTKWLDSYLAKNSHRPIAEIAISYAGEASLALTLKERIAAYYNHSI
SVLETGSIIQTHTGEGAFAVMVRYE

Ligand information

• Ligand ID: HXA
• InChI: InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
• InChIKey: MBMBGCFOFBJSGT-KUBAVDMBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O
  CACTVS 3.341: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)=O
  CACTVS 3.341: CC/C=C\C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCC(O)=O
  OpenEye OEToolkits 1.5.0: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
  ACDLabs 10.04: O=C(O)CC\C=C/C/C=C\C\C=C/C\C=C/C\C=C/C\C=C/CC
• Formula: C22 H32 O2
• Name: DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID
• ChEMBL: CHEMBL367149
• DrugBank: DB03756
• ZINC: ZINC000004474564
• PDB chain: 2g7z Chain A Residue 9136

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2g7z Conserved hypothetical protein from Streptococcus pyogenes M1 GAS discloses long-fatty acid (heptadecanoic acid) binding function
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): T62 S63 L94 S95 R172 I262 I263 H266 A271 F272 A273
• Binding residue (residue number reindexed from 1): T63 S64 L95 S96 R173 I258 I259 H262 A267 F268 A269
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008289 lipid binding

External links

• PDB: RCSB:2g7z, PDBe:2g7z, PDBj:2g7z
• PDBsum: 2g7z
• UniProt: P67372|Y1493_STRP1 DegV domain-containing protein SPy_1493/M5005_Spy1226 (Gene Name=SPy_1493)