Structure of PDB 1fls Chain A Binding Site BS03

Receptor Information

>1fls Chain A (length=158) Species: 9606 (Homo sapiens)

TLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDG
IADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTS
SSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDV
QGIQSLYG

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: 1fls Chain A Residue 168

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1fls High-resolution solution structure of the catalytic fragment of human collagenase-3 (MMP-13) complexed with a hydroxamic acid inhibitor.
• Resolution: N/A
• Binding residue (original residue number in PDB): D76 G77 P78 S79 G80 L81 D99 E102
• Binding residue (residue number reindexed from 1): D70 G71 P72 S73 G74 L75 D93 E96
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H119 E120 H123 H129
• Catalytic site (residue number reindexed from 1): H113 E114 H117 H123
• 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:1fls, PDBe:1fls, PDBj:1fls
• PDBsum: 1fls
• PubMed: 10986126
• UniProt: P45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)