Structure of PDB 2tcl Chain A Binding Site BS03

Receptor Information

>2tcl Chain A (length=163) Species: 9606 (Homo sapiens)

LTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTK
VSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDE
RWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQD
DIDGIQAIYGRSQ

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2tcl Chain A Residue 173

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2tcl Structure of the catalytic domain of human fibroblast collagenase complexed with an inhibitor.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D75 G76 G78 N80 D98 E101
• Binding residue (residue number reindexed from 1): D74 G75 G77 N79 D97 E100
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H118 E119 H122 H128
• Catalytic site (residue number reindexed from 1): H117 E118 H121 H127
• Enzyme Commision number: 3.4.24.7: interstitial collagenase.

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:2tcl, PDBe:2tcl, PDBj:2tcl
• PDBsum: 2tcl
• PubMed: 7656013
• UniProt: P03956|MMP1_HUMAN Interstitial collagenase (Gene Name=MMP1)