Structure of PDB 3wv2 Chain A

Receptor sequence
>3wv2A (length=166) Species: 9606 (Homo sapiens) [Search protein sequence]
YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNF
TRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDD
DETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTHFMLPD
DDVQGIQSLYGPGDED
3D structure
PDB3wv2 Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site.
ChainA
Resolution2.3 Å
3D
structure
Catalytic site residues are labeled in the structure
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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 H222 H226 H232 H119 H123 H129
BS02 ZN A H172 D174 H187 H200 H69 D71 H84 H97
BS03 CA A D179 G180 S182 L184 D202 E205 D76 G77 S79 L81 D99 E102
BS04 CA A D162 N194 G196 D198 D59 N91 G93 D95
BS05 WGG A L218 V219 H222 L239 F241 I243 Y244 T245 T247 F252 P255 L115 V116 H119 L136 F138 I140 Y141 T142 T144 F146 P149 MOAD: ic50=12nM
PDBbind-CN: -logKd/Ki=7.92,IC50=12nM
BindingDB: IC50=5.6nM
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

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Cellular Component
External links
PDB RCSB:3wv2, PDBe:3wv2, PDBj:3wv2
PDBsum3wv2
PubMed25192810
UniProtP45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)

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