Structure of PDB 4l19 Chain A

Receptor sequence

>4l19A (length=166) Species: 9606 (Homo sapiens)

YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNF
TRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDD
DETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFM
LPDDDVQGIQSLYGPG

3D structure

• PDB: 4l19 Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.
• Chain: A
• Resolution: 1.66 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H222 E223 H226 H232
• 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	H172 D174 H187 H200	H69 D71 H84 H97
BS02	ZN	A	H222 H226 H232	H119 H123 H129
BS03	ZN	A	S250 H251	S147 H148
BS04	CA	A	D179 G180 S182 L184 D202 E205	D76 G77 S79 L81 D99 E102
BS05	CA	A	D162 N194 G196 D198	D59 N91 G93 D95
BS06	1UA	A	H222 L239 F241 P242 I243 T245 T247 F252 P255	H119 L136 F138 P139 I140 T142 T144 F149 P152	MOAD: Ki=0.8uM PDBbind-CN: -logKd/Ki=6.10,Ki=0.8uM BindingDB: IC50=2400nM,Ki=824nM
BS07	1UA	A	Y176 A188 F189 H226	Y73 A85 F86 H123	MOAD: Ki=0.8uM PDBbind-CN: -logKd/Ki=6.10,Ki=0.8uM BindingDB: IC50=2400nM,Ki=824nM

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:4l19, PDBe:4l19, PDBj:4l19
• PDBsum: 4l19
• PubMed: 25330343
• UniProt: P45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)