Structure of PDB 3vkb Chain B Binding Site BS03

Receptor Information

>3vkb Chain B (length=254) Species: 566461 (Streptomyces viridosporus ATCC 14672)

APPLWRPGRVLARLREHQPGPVHIIDPFKVPVTEAVEKAAELTRLGFAAV
LLASTDYESFESHMEPYVAAVKAATPLPVVLHFPPRPGAGFPVVRGADAL
LLPALLGSGDDYFVWKSFLETLAAFPGRIPREEWPELLLTVALTFGEDPR
TGDLLGTVPVSTASTEEIDRYLHVARAFGFHMVYLYSRNEHVPPEVVRHF
RKGLGPDQVLFVSGNVRSGRQVTEYLDSGADYVGFAGALEQPDWRSALAE
IAGR

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: 3vkb Chain B Residue 800

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vkb Insights into the mechanism of the antibiotic-synthesizing enzyme MoeO5 from crystal structures of different complexes
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D41 K44 S69 T70 D71 R165
• Binding residue (residue number reindexed from 1): D26 K29 S54 T55 D56 R150
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
• GO:0046872 metal ion binding

Biological Process

• GO:0008654 phospholipid biosynthetic process

External links

• PDB: RCSB:3vkb, PDBe:3vkb, PDBj:3vkb
• PDBsum: 3vkb
• PubMed: 22431288
• UniProt: A0A011