Structure of PDB 3oiy Chain A Binding Site BS01

Receptor Information

>3oiy Chain A (length=407) Species: 2336 (Thermotoga maritima)

AEFWNEYEDFRSFFKKKFGKDLTGYQRLWAKRIVQGKSFTMVAPTGVGKT
TFGMMTALWLARKGKKSALVFPTVTLVKQTLERLQKLADEKVKIFGFYSS
MKKEEKEKFEKSFEEDDYHILVFSTQFVSKNREKLSQKRFDFVFVDDVDA
VLKASRNIDTLLMMVGIPEEIIRKAFSTIKQGKIYERPKNLKPGILVVSS
ATAKPRGIRPLLFRDLLNFTVGRLVSVARNITHVRISSRSKEKLVELLEI
FRDGILIFAQTEEEGKELYEYLKRFKFNVGETWSEFEKNFEDFKVGKINI
LIGVQAYYGKLTRGVDLPERIKYVIFWGTPSGPDVYTYIQASGRSSRILN
GVLVKGVSVIFEEDEEIFESLKTRLLLIAEEEIIEEAEANWKELVHEVEE
SRRRSER

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: 3oiy Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3oiy The latch modulates nucleotide and DNA binding to the helicase-like domain of Thermotoga maritima reverse gyrase and is required for positive DNA supercoiling.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): G103 G105 K106 T107 T108
• Binding residue (residue number reindexed from 1): G46 G48 K49 T50 T51
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.6.2.-

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• GO:0003677 DNA binding
• GO:0003916 DNA topoisomerase activity
• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity

Biological Process

• GO:0006265 DNA topological change

External links

• PDB: RCSB:3oiy, PDBe:3oiy, PDBj:3oiy
• PDBsum: 3oiy
• PubMed: 21051354
• UniProt: O51934|RGYR_THEMA Reverse gyrase (Gene Name=rgy)