Structure of PDB 1ka2 Chain A Binding Site BS01

Receptor Information

>1ka2 Chain A (length=497) Species: 2261 (Pyrococcus furiosus)

EVFQNETIKQILAKYRRIWAIGHAQSVLGWDLEVNMPKEGILERSVAQGE
LSVLSHELLLHPEFVNLVEKAKGLENLNEYERGIVRVLDRSIRIARAFPP
EFIREVSETTSLATKAWEEAKAKDDFSKFEPWLDKIISLAKRAAEYLGYE
EEPYDALLDLYEEGLRTRDVEKMFEVLEKKLKPLLDKILEEGKVPREHPL
EKEKYEREWMERVNLWILQKFGFPLGTRARLDVSAHPFTTEFGIRDVRIT
TRYEGYDFRRTILSTVHEFGHALYELQQDERFMFTPIAGGVSLGIHESQS
RFWENIIGRSKEFVELIYPVLKENLPFMSNYTPEDVYLYFNIVRPDFIRT
EADVVTYNFHILLRFKLERLMVSEEIKAKDLPEMWNDEMERLLGIRPRKY
SEGILQDIHWAHGSIGYFPTYTIGTLLSAQLYYHIKKDIPDFEEKVAKAE
FDPIKAWLREKIHRWGSIYPPKELLKKAIGEDMDAEYFVRWVKEKYL

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 1ka2 Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ka2 Crystal Structure of a Novel Carboxypeptidase from the Hyperthermophilic Archaeon Pyrococcus furiosus
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): H269 H273 E299
• Binding residue (residue number reindexed from 1): H267 H271 E297
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.17.19: carboxypeptidase Taq.

Gene Ontology

Molecular Function

• GO:0004180 carboxypeptidase activity
• GO:0004181 metallocarboxypeptidase activity
• GO:0008237 metallopeptidase activity
• GO:0046872 metal ion binding
• GO:0050897 cobalt ion binding

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:1ka2, PDBe:1ka2, PDBj:1ka2
• PDBsum: 1ka2
• PubMed: 11839307
• UniProt: Q8U3L0|CBP1_PYRFU Thermostable carboxypeptidase 1 (Gene Name=PF0456)