Structure of PDB 3kw9 Chain A

Receptor sequence
>3kw9A (length=215) Species: 9606 (Homo sapiens) [Search protein sequence]
APDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSP
QNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNP
TGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVY
YDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNK
NNACGIANLASFPKM
3D structure
PDB3kw9 Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
ChainA
Resolution1.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Q19 C25 H162 N182
Catalytic site (residue number reindexed from 1) Q19 C25 H162 N182
Enzyme Commision number 3.4.22.38: cathepsin K.
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 ORG A Q19 G23 C25 G65 G66 Y67 A134 L160 N161 H162 L209 Q19 G23 C25 G65 G66 Y67 A134 L160 N161 H162 L209 PDBbind-CN: -logKd/Ki=9.00,IC50=1nM
BindingDB: IC50=1nM
BS02 TFA A Q19 H162 Q19 H162
Gene Ontology
Molecular Function
GO:0008234 cysteine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3kw9, PDBe:3kw9, PDBj:3kw9
PDBsum3kw9
PubMed20149657
UniProtP43235|CATK_HUMAN Cathepsin K (Gene Name=CTSK)

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