Structure of PDB 5qbv Chain A

Receptor sequence
>5qbvA (length=220) Species: 9606 (Homo sapiens) [Search protein sequence]
ILPDSVDWREKGCVTEVKYQGSCGASWAFSAVGALEAQLKLKTGKLVSLS
AQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKC
QYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYR
SGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMA
RNKGNHCGIASFPSYPEILQ
3D structure
PDB5qbv Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors
ChainA
Resolution1.796 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 S25 H164 N184
Catalytic site (residue number reindexed from 1) Q20 S26 H165 N185
Enzyme Commision number 3.4.22.27: cathepsin S.
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 N2D A G62 G68 G69 F70 T73 V162 G165 F211 G63 G69 G70 F71 T74 V163 G166 F212 PDBbind-CN: -logKd/Ki=6.37,IC50=0.43uM
BindingDB: IC50=430nM
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:5qbv, PDBe:5qbv, PDBj:5qbv
PDBsum5qbv
PubMed20541404
UniProtP25774|CATS_HUMAN Cathepsin S (Gene Name=CTSS)

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