Structure of PDB 4wq3 Chain A

Receptor sequence
>4wq3A (length=173) Species: 9606 (Homo sapiens) [Search protein sequence]
EEVRQFRRLFAQLAGDDMEVSATELMNILNKVVTRHPDLKTDGFGIDTCR
SMVAVMDSDTTGKLGFEEFKYLWNNIKRWQAIYKQFDTDRSGTICSSELP
GAFEAAGFHLNEHLYNMIIRRYSDESGNMDFDNFISCLVRLDAMFRAFKS
LDKDGTGQIQVNIQEWLQLTMYS
3D structure
PDB4wq3 Conformationally restricted calpain inhibitors.
ChainA
Resolution1.79 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 CA A A109 D112 E114 E119 A14 D17 E19 E24
BS02 CA A D152 D154 T156 K158 E163 D57 D59 T61 K63 E68
BS03 CA A D182 D184 S186 T188 E193 D87 D89 S91 T93 E98
BS04 CA A D137 D225 D227 N228 D42 D130 D132 N133
BS05 3SU A L104 I123 V127 R130 H131 F164 W168 L9 I28 V32 R35 H36 F69 W73 MOAD: ic50=0.1uM
PDBbind-CN: -logKd/Ki=7.00,IC50=0.10uM
BS06 3SU A L124 V127 W168 K172 Q175 L29 V32 W73 K77 Q80 MOAD: ic50=0.1uM
PDBbind-CN: -logKd/Ki=7.00,IC50=0.10uM
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding

View graph for
Molecular Function
External links
PDB RCSB:4wq3, PDBe:4wq3, PDBj:4wq3
PDBsum4wq3
PubMed28757975
UniProtP04632|CPNS1_HUMAN Calpain small subunit 1 (Gene Name=CAPNS1)

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