Structure of PDB 2xs4 Chain A Binding Site BS02

Receptor Information

>2xs4 Chain A (length=167) Species: 28112 (Tannerella forsythia)

YVLQGSKWNKTTLKYYIYNSSSHLTTTERENAIRSAFALWSDKSTLSFIQ
VYNPNQADIKIKWEKGNHGDGYPFDGNTGILAHAFYPPPAGGNYAGHLHF
DDDENWSINGSGIDLITVAAHEIGHLLGIEHSNVSSALMYPYYTGIKRQL
DNDDCLAVWDLYGYPFS

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: 2xs4 Chain A Residue 997

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2xs4 The Structure of the Catalytic Domain of Tannerella Forsythia Karilysin Reveals It is a Bacterial Xenologue of Animal Matrix Metalloproteinases.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): S75 S78
• Binding residue (residue number reindexed from 1): S41 S44
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H155 E156 H159 H165
• Catalytic site (residue number reindexed from 1): H121 E122 H125 H131
• Enzyme Commision number: 3.4.24.-

Gene Ontology

Molecular Function

• GO:0004222 metalloendopeptidase activity
• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0031012 extracellular matrix

External links

• PDB: RCSB:2xs4, PDBe:2xs4, PDBj:2xs4
• PDBsum: 2xs4
• PubMed: 21166898
• UniProt: D0EM77|KLY_TANFA Karilysin (Gene Name=kly)