Structure of PDB 4wk7 Chain A

Receptor sequence
>4wk7A (length=209) Species: 9606 (Homo sapiens) [Search protein sequence]
SRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSLVV
TRLVILGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAILFTRQDL
CGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHELGHVFNMLH
DNSKPCISLNGPLSRHVMAPVMAHVDPEEPWSPCSARFITDFLDNGYGHC
LLDKPEAPL
3D structure
PDB4wk7 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
Resolution1.24 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 H140 H144 H150
BS02 CA A E221 D304 D311 C423 D426 E5 D83 D90 C200 D203
BS03 CA A E221 D304 D426 E5 D83 D203
BS04 CA A D320 L321 C327 T329 E349 D99 L100 C106 T108 E128
BS05 3PQ A T329 L330 G331 F357 H361 E362 H371 V390 A392 P393 V394 M395 T108 L109 G110 F136 H140 E141 H150 V167 A169 P170 V171 M172 MOAD: ic50=74nM
PDBbind-CN: -logKd/Ki=7.13,IC50=74nM
BindingDB: IC50=74nM
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:4wk7, PDBe:4wk7, PDBj:4wk7
PDBsum4wk7
PubMed25415648
UniProtO75173|ATS4_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 4 (Gene Name=ADAMTS4)

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