Structure of PDB 4wq2 Chain B

Receptor sequence
>4wq2B (length=173) Species: 9606 (Homo sapiens) [Search protein sequence]
EEVRQFRRLFAQLAGDDMEVSATELMNILNKVVTRHPDLKTDGFGIDTCR
SMVAVMDSDTTGKLGFEEFKYLWNNIKRWQAIYKQFDTDRSGTICSSELP
GAFEAAGFHLNEHLYNMIIRRYSDESGNMDFDNFISCLVRLDAMFRAFKS
LDKDGTGQIQVNIQEWLQLTMYS
3D structure
PDB4wq2 Conformationally restricted calpain inhibitors.
ChainB
Resolution1.64 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) F164 G187 I189
Catalytic site (residue number reindexed from 1) F69 G92 I94
Enzyme Commision number ?
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 3SU B V127 Q175 V32 Q80 MOAD: ic50=0.5uM
BS02 CA B A109 D112 E114 E119 A14 D17 E19 E24
BS03 CA B D152 D154 T156 K158 E163 D57 D59 T61 K63 E68
BS04 CA B D182 D184 S186 T188 E193 D87 D89 S91 T93 E98
BS05 CA B D137 D225 D227 N228 D42 D130 D132 N133
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:4wq2, PDBe:4wq2, PDBj:4wq2
PDBsum4wq2
PubMed28757975
UniProtP04632|CPNS1_HUMAN Calpain small subunit 1 (Gene Name=CAPNS1)

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