Structure of PDB 2ow9 Chain A

Receptor sequence

>2ow9A (length=167) Species: 9606 (Homo sapiens)

YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNF
TRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDD
DETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFM
LPDDDVQGIQSLYGPGD

3D structure

• PDB: 2ow9 Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
• Chain: A
• Resolution: 1.74 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H201 E202 H205 H211
• Catalytic site (residue number reindexed from 1): H119 E120 H123 H129
• Enzyme Commision number: 3.4.24.-

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	A	H201 H205 H211	H119 H123 H129
BS02	ZN	A	H151 D153 H166 H179	H69 D71 H84 H97
BS03	CA	A	D158 G159 S161 L163 D181 E184	D76 G77 S79 L81 D99 E102
BS04	CA	A	D141 N173 Y174 G175 D177	D59 N91 Y92 G93 D95
BS05	CA	A	D107 D182 E184	D25 D100 E102
BS06	SP6	A	L197 H201 A217 L218 F220 I222 Y223 T224 Y225 T226 K228 H230 F231 M232	L115 H119 A135 L136 F138 I140 Y141 T142 Y143 T144 K146 H148 F149 M150	MOAD: ic50=30nM PDBbind-CN: -logKd/Ki=7.52,IC50=30nM BindingDB: IC50=30nM,Ki=64nM

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:2ow9, PDBe:2ow9, PDBj:2ow9
• PDBsum: 2ow9
• PubMed: 17623656
• UniProt: P45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)