Structure of PDB 2bdh Chain A Binding Site BS01

Receptor Information

>2bdh Chain A (length=223) Species: 9606 (Homo sapiens)

IINGEDCSPHSQPWQAALVMENELFCSGVLVHPQWVLSAAHCFQNSYTIG
LGLHSLEADQEPGSQMVEASLSVRHPEYNRPLLANDLMLIKLDESVSESD
TIRSISIASQCPTAGNSCLVSGWGLLANGRMPTVLQCVNVSVVSEEVCSK
LYDPLYHPSMFCAGGGQDQKDSCNGDSGGPLICNGYLQGLVSFGKAPCGQ
VGVPGVYTNLCKFTEWIEKTVQA

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2bdh Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2bdh Crystal structures of human tissue kallikrein 4: activity modulation by a specific zinc binding site.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): H25 E77
• Binding residue (residue number reindexed from 1): H10 E61
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H57 D102 N192 G193 D194 S195 G196
• Catalytic site (residue number reindexed from 1): H41 D86 N174 G175 D176 S177 G178
• Enzyme Commision number: 3.4.21.-

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0005515 protein binding
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis
• GO:0022617 extracellular matrix disassembly
• GO:0031214 biomineral tissue development
• GO:0097186 amelogenesis

Cellular Component

• GO:0005576 extracellular region
• GO:0030141 secretory granule

External links

• PDB: RCSB:2bdh, PDBe:2bdh, PDBj:2bdh
• PDBsum: 2bdh
• PubMed: 16950394
• UniProt: Q9Y5K2|KLK4_HUMAN Kallikrein-4 (Gene Name=KLK4)