Structure of PDB 3wv2 Chain B

Receptor sequence
>3wv2B (length=161) Species: 9606 (Homo sapiens) [Search protein sequence]
YNVFTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTR
LHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDE
TWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGHFMLPDD
DVQGIQSLYGP
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.
ChainB
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) H117 E118 H121 H127
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 B H222 H226 H232 H117 H121 H127
BS02 ZN B H172 D174 H187 H200 H67 D69 H82 H95
BS03 CA B D179 G180 S182 L184 D202 E205 D74 G75 S77 L79 D97 E100
BS04 CA B D162 N194 G196 D198 D57 N89 G91 D93
BS05 WGG B L218 V219 H222 L239 F241 I243 Y244 T245 T247 F252 P255 L113 V114 H117 L134 F136 I138 Y139 T140 T142 F145 P148 MOAD: 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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