Structure of PDB 2aux Chain A

Receptor sequence
>2auxA (length=213) Species: 9606 (Homo sapiens) [Search protein sequence]
DSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQN
LVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTG
KAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYD
ESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNN
ACGIANLASFPKM
3D structure
PDB2aux Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
ChainA
Resolution2.4 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 CT1 A G23 C25 G64 G65 G66 L160 N161 H162 G21 C23 G62 G63 G64 L158 N159 H160 PDBbind-CN: -logKd/Ki=9.30,IC50=0.50nM
BindingDB: IC50=0.500000nM
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:2aux, PDBe:2aux, PDBj:2aux
PDBsum2aux
PubMed16290936
UniProtP43235|CATK_HUMAN Cathepsin K (Gene Name=CTSK)

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