Structure of PDB 2yig Chain B

Receptor sequence
>2yigB (length=166) Species: 9606 (Homo sapiens) [Search protein sequence]
YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNF
TRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDD
DETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFM
LPDDDVQGIQSLYGPG
3D structure
PDB2yig Selective Non Zinc Binding Inhibitors of Mmp13.
ChainB
Resolution1.7 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 5EL B L184 H222 E223 L239 F241 P242 I243 Y244 T245 T247 F252 L81 H119 E120 L136 F138 P139 I140 Y141 T142 T144 F149 MOAD: ic50=79.4nM
BindingDB: IC50=125.89nM
BS02 ZN B H222 H226 H232 H119 H123 H129
BS03 ZN B H172 D174 H187 H200 H69 D71 H84 H97
BS04 CA B D162 N194 G196 D198 D59 N91 G93 D95
BS05 CA B D179 G180 S182 L184 D202 E205 D76 G77 S79 L81 D99 E102
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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Molecular Function
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Cellular Component
External links
PDB RCSB:2yig, PDBe:2yig, PDBj:2yig
PDBsum2yig
PubMed21669521
UniProtP45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)

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