Structure of PDB 2clt Chain B Binding Site BS05

Receptor Information

>2clt Chain B (length=367) Species: 9606 (Homo sapiens)

FVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTF
TKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDE
DERWTNNFREYNLHRVAAHALGHSLGLSHSTDIGALMYPSYTFSGDVQLA
QDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKD
RFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYW
AVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWR
YDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDP
KTKRILTLQKANSWFNC

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: 2clt Chain B Residue 1401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2clt Crystal Structure of an Active Form of Human Mmp-1.
• Resolution: 2.67 Å
• Binding residue (original residue number in PDB): H149 D151 H164 H177
• Binding residue (residue number reindexed from 1): H69 D71 H84 H97
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H199 A200 H203 H209
• Catalytic site (residue number reindexed from 1): H119 A120 H123 H129
• 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:2clt, PDBe:2clt, PDBj:2clt
• PDBsum: 2clt
• PubMed: 16890240
• UniProt: P03956|MMP1_HUMAN Interstitial collagenase (Gene Name=MMP1)