Structure of PDB 5boy Chain A

Receptor sequence
>5boyA (length=166) Species: 9606 (Homo sapiens) [Search protein sequence]
YNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNF
TRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDD
DETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGFMLPD
DDVQGIQSLYGPGDED
3D structure
PDB5boy Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13.
ChainA
Resolution2.03 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 D128 D203 E205 D25 D100 E102
BS04 CA A D179 G180 S182 L184 D202 E205 D76 G77 S79 L81 D99 E102
BS05 CA A D162 N194 Y195 G196 D198 D59 N91 Y92 G93 D95
BS06 4UE A H222 A238 L239 F241 P242 I243 T245 T247 F252 H119 A135 L136 F138 P139 I140 T142 T144 F146 MOAD: ic50=2.5uM
PDBbind-CN: -logKd/Ki=5.60,IC50=2.5uM
BindingDB: IC50=2500nM
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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Biological Process
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Cellular Component
External links
PDB RCSB:5boy, PDBe:5boy, PDBj:5boy
PDBsum5boy
PubMed22017539
UniProtP45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)

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