Structure of PDB 4mzo Chain A

Receptor sequence
>4mzoA (length=218) Species: 10090 (Mus musculus) [Search protein sequence]
LPDTVDWREKGCVTEVKYQGSCGACWAFSAVGALEGQLKLKTGKLISLSA
QNLVDCSNEEKYGNKGCGGGYMTEAFQYIIDNGGIEADASYPYKAMDEKC
HYNSKNRAATCSRYIQLPFGDEDALKEAVATKGPVSVGIDASHSSFFFYK
SGVYDDPSCTGNVNHGVLVVGYGTLDGKDYWLVKNSWGLNFGDQGYIRMA
RNNKNHCGIASYCSYPEI
3D structure
PDB4mzo Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.
ChainA
Resolution1.47 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) Q141 C147 H287 N307
Catalytic site (residue number reindexed from 1) Q19 C25 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 2EW A G145 C147 G191 G192 Y193 V285 N286 Y334 G23 C25 G69 G70 Y71 V163 N164 Y212 PDBbind-CN: -logKd/Ki=6.57,IC50=0.271uM
BS02 2EW A N312 Q316 N190 Q194 PDBbind-CN: -logKd/Ki=6.57,IC50=0.271uM
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:4mzo, PDBe:4mzo, PDBj:4mzo
PDBsum4mzo
PubMed24224654
UniProtO70370|CATS_MOUSE Cathepsin S (Gene Name=Ctss)

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