Structure of PDB 4wki Chain A

Receptor sequence
>4wkiA (length=214) Species: 9606 (Homo sapiens) [Search protein sequence]
SLSRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSL
VVTRLVILGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAILFTRQ
DLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHELGHVFNM
LHDNSKPCISLNGPLSRHVMAPVMAHVDPEEPWSPCSARFITDFLDNGYG
HCLLDKPEAPLHLP
3D structure
PDB4wki Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis.
ChainA
Resolution1.6 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 3.4.24.82: ADAMTS-4 endopeptidase.
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 H361 H365 H371 H142 H146 H152
BS02 CA A E221 D304 D311 C423 D426 E7 D85 D92 C202 D205
BS03 CA A E221 D304 D426 E7 D85 D205
BS04 CA A D320 L321 C327 T329 E349 D101 L102 C108 T110 E130
BS05 3PW A T329 L330 G331 H361 E362 H371 V390 A392 P393 V394 M395 T110 L111 G112 H142 E143 H152 V169 A171 P172 V173 M174 MOAD: ic50=5nM
PDBbind-CN: -logKd/Ki=8.30,IC50=5nM
BindingDB: IC50=3.0nM
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:4wki, PDBe:4wki, PDBj:4wki
PDBsum4wki
PubMed25415648
UniProtO75173|ATS4_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 4 (Gene Name=ADAMTS4)

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