Structure of PDB 3wv1 Chain B

Receptor sequence

>3wv1B (length=164) Species: 9606 (Homo sapiens)

YNVFTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTR
LHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDE
TWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLP
DDDVQGIQSLYGPG

3D structure

• PDB: 3wv1 Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach
• Chain: B
• Resolution: 1.98 Å

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	NA	B	D128 D203 E205 T206	D23 D98 E100 T101
BS06	WHH	B	K140 N215 F217 L218 H222 L239 F241 I243 Y244 T245 T247 K249 F252 M253 P255	K35 N110 F112 L113 H117 L134 F136 I138 Y139 T140 T142 K144 F147 M148 P150	MOAD: ic50=0.0039nM BindingDB: IC50=0.003900nM

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:3wv1, PDBe:3wv1, PDBj:3wv1
• PDBsum: 3wv1
• PubMed: 25264600
• UniProt: P45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)