Structure of PDB 3kku Chain A

Receptor sequence
>3kkuA (length=215) Species: 5693 (Trypanosoma cruzi) [Search protein sequence]
APAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSE
QMLVSCDKTDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPP
CTTSGHTVGATITGHVELPQDEAQIAAWLAVNGPVAVAVDASSWMTYTGG
VMTSCVSEQLDHGVLLVGYNDSAAVPYWIIKNSWTTQWGEEGYIRIAKGS
NQCLVKEEASSAVVG
3D structure
PDB3kku Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors.
ChainA
Resolution1.28 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 3.4.22.51: cruzipain.
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 B95 A C25 W26 G65 G66 L67 M68 A138 Q159 L160 D161 H162 C25 W26 G65 G66 L67 M68 A138 Q159 L160 D161 H162 MOAD: Ki=2uM
PDBbind-CN: -logKd/Ki=5.70,Ki=2uM
BindingDB: IC50=800nM,Ki=2000nM
BS02 Z22 A Q19 G23 C25 H162 Q19 G23 C25 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:3kku, PDBe:3kku, PDBj:3kku
PDBsum3kku
PubMed20540517
UniProtP25779|CYSP_TRYCR Cruzipain

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