Structure of PDB 3f4d Chain B Binding Site BS02

Receptor Information

>3f4d Chain B (length=324) Species: 272567 (Geobacillus stearothermophilus 10)

KTVETVLGPVPVEQLGKTLIHEHFLFGYPGFQGDVTRGTFREDEALRVAV
EAAEKMKRHGIQTVVDPTPNDCGRNPAFLRRVAEETGLNIICATGYYYEG
EGAPPYFQFRRLLGTAEDDIYDMFMAELTEGIADTGIKAGVIKLASSKGR
ITEYEKMFFRAAARAQKETGAVIITHTQEGTMGPEQAAYLLEHGADPKKI
VIGHMCGNTDPDYHRKTLAYGVYIAFDRFGIQGMVGAPTDEERVRTLLAL
LRDGYEKQIMLSHDTVNVWLGRPFTLPEPFAEMMKNWHVEHLFVNIIPAL
KNEGIRDEVLEQMFIGNPAALFSA

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 3f4d Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3f4d Structural basis for thermostability revealed through the identification and characterization of a highly thermostable phosphotriesterase-like lactonase from Geobacillus stearothermophilus.
• Resolution: 2.36 Å
• Binding residue (original residue number in PDB): Y99 K145 H178 H206
• Binding residue (residue number reindexed from 1): Y97 K143 H176 H204
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): H23 H25 K145 H178 H206 G209 R230 D266
• Catalytic site (residue number reindexed from 1): H21 H23 K143 H176 H204 G207 R228 D264

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0009056 catabolic process

External links

• PDB: RCSB:3f4d, PDBe:3f4d, PDBj:3f4d
• PDBsum: 3f4d
• PubMed: 19615330
• UniProt: D0VX06