Structure of PDB 7r7e Chain B Binding Site BS02

Receptor Information

>7r7e Chain B (length=567) Species: 32049 (Picosynechococcus sp. PCC 7002)

VGQFANFVDLLQYRAKLQARKTVFSFLADGEAESAALTYGELDQKAQAIA
AFLQANQAQGQRALLLYPPGLEFIGAFLGCLYAGVVAVPAYPPRPNKSFD
RLHSIIQDAQAKFALTTTELKDKIADRLEALEGTDFHCLATDQVELISGK
NWQKPNISGTDLAFLQYTSGSTGDPKGVMVSHHNLIHNSGLINQGFQDTE
ASMGVSWLPPYHDMGLIGGILQPIYVGATQILMPPVAFLQRPFRWLKAIN
DYRVSTSGAPNFAYDLCASQITPEQIRELDLSCWRLAFSGAEPIRAVTLE
NFAKTFATAGFQKSAFYPCYGMAETTLIVSGGNGRAQLPQEIIVSKQGIE
ANQVRPAQETTVTLVGSGEVIGDQIVKIVDPQALTECTVGEIGEVWVKGE
SVAQGYWQKPDLTQQQFQGNVGAETGFLRTGDLGFLQGGELYITGRLKDL
LIIRGRNHYPQDIELTVEVAHPALRQGAGAAVSVDVNGEEQLVIVQEVER
KYARKLNVAAVAQAIRGAIAAEHQLQPQAICFIKPGSIPKTSSGKIRRHA
CKAGFLDGSLAVVGEWQ

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 7r7e Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7r7e An electrostatic fatty acid selection mechanism by the Olefin Synthase FAAL domain from Synechococcus sp. PCC7002
• Resolution: 1.99 Å
• Binding residue (original residue number in PDB): T169 S170 G171 S172 T173 R449 K548
• Binding residue (residue number reindexed from 1): T168 S169 G170 S171 T172 R446 K545
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 6.2.1.20: long-chain-fatty-acid--[acyl-carrier-protein] ligase.

Gene Ontology

Biological Process

• GO:0008610 lipid biosynthetic process

External links

• PDB: RCSB:7r7e, PDBe:7r7e, PDBj:7r7e
• PDBsum: 7r7e
• UniProt: B1XKC6