Structure of PDB 3tn5 Chain A Binding Site BS01

Receptor Information

>3tn5 Chain A (length=324) Species: 235909 (Geobacillus kaustophilus HTA426)

EMVETVCGPVPVEQLGKTLIHEHFLFGYPGFQGDVTRGTFREDESLRVAV
EAAEKMKRHGIQTVVDPTPNDCGRNPAFLRRVAEETGLNIICATGYLYEG
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: 3tn5 Chain A Residue 327

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3tn5 Engineering a thermostable lactonase for enhanced phosphotriesterase activity against organophosphate pesticides
• Resolution: 1.75 Å
• Binding residue (original residue number in PDB): H23 H25 K145 D266
• Binding residue (residue number reindexed from 1): H21 H23 K143 D264
• 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
• Enzyme Commision number: 3.5.-.-

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009056 catabolic process

External links

• PDB: RCSB:3tn5, PDBe:3tn5, PDBj:3tn5
• PDBsum: 3tn5
• UniProt: Q5KZU5