Structure of PDB 2zc1 Chain A Binding Site BS02

Receptor Information

>2zc1 Chain A (length=333) Species: 1299 (Deinococcus radiodurans)

SSGLVPRGSHMTAQTVTGAVAAAQLGATLPHEHVIFGYPGYAGDVTLGPF
DHAAALASCTETARALLARGIQTVVDATPNDCGRNPAFLREVSEATGLQI
LCATGFYYEGEGATTYFKFRASLGDAESEIYEMMRTEVTEGIAGTGIRAG
VIKLASSRDAITPYEQLFFRAAARVQRETGVPIITHTQEGQQGPQQAELL
TSLGADPARIMIGHMDGNTDPAYHRETLRHGVSIAFDRIGLQGMVGTPTD
AERLSVLTTLLGEGYADRLLLSHDSIWHWLGRPPAIPEAALPAVKDWHPL
HISDDILPDLRRRGITEEQVGQMTVGNPARLFG

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: 2zc1 Chain A Residue 425

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2zc1 X-Ray Structural Insights into a Phosphotriesterase
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): Y197 K243 H276 H304
• Binding residue (residue number reindexed from 1): Y107 K153 H186 H214
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H121 H123 K243 H276 H304 G307 R328 D364
• Catalytic site (residue number reindexed from 1): H31 H33 K153 H186 H214 G217 R238 D274
• Enzyme Commision number: 3.1.8.1: aryldialkylphosphatase.

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0046573 lactonohydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009056 catabolic process

External links

• PDB: RCSB:2zc1, PDBe:2zc1, PDBj:2zc1
• PDBsum: 2zc1
• UniProt: Q9RVU2