Structure of PDB 3kx1 Chain A

Receptor sequence
>3kx1A (length=213) Species: 9606 (Homo sapiens) [Search protein sequence]
DSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQN
LVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTG
KAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYD
ESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNN
ACGIANLASFPKM
3D structure
PDB3kx1 Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
ChainA
Resolution1.51 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) Q17 C23 H160 N180
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 KX1 A G23 C25 G64 G65 G66 N161 H162 G21 C23 G62 G63 G64 N159 H160 MOAD: ic50=100nM
PDBbind-CN: -logKd/Ki=7.00,IC50=100nM
BindingDB: IC50=100nM
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:3kx1, PDBe:3kx1, PDBj:3kx1
PDBsum3kx1
PubMed20149657
UniProtP43235|CATK_HUMAN Cathepsin K (Gene Name=CTSK)

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