Structure of PDB 1ot5 Chain A Binding Site BS03

Receptor Information
>1ot5 Chain A (length=477) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVKEAEDKLSINDPLFERQWHLVNPSFPGSDINVLDLWYNNITGAGVVAA
IVDDGLDYENEDLKDNFCAEGSWDFNDNTNLPKPRLSDDYHGTRCAGEIA
AKKGNNFCGVGVGYNAKISGIRILSGDITTEDEAASLIYGLDVNDIYSCS
WGPADDGRHLQGPSDLVKKALVKGVTEGRDSKGAIYVFASGNGGTRGDNC
NYDGYTNSIYSITIGAIDHKDLHPPYSEGCSAVMAVTYSSGSGEYIHSSD
INGRCSNSHGGTSAAAPLAAGVYTLLLEANPNLTWRDVQYLSILSAVGLE
KNADGDWRDSAMGKKYSHRYGFGKIDAHKLIEMSKTWENVNAQTWFYLPT
LYVSQSTNSTEETLESVITISEKSLQDANFKRIEHVTVTVDIDTEIRGTT
TVDLISPAGIISNLGVVRPRDVSSEGFKDWTFMSVAHWGENGVGDWKIKV
KTTENGHRIDFHSWRLKLFGESIDSSK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1ot5 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1ot5 2.4 A Resolution Crystal Structure of the Prototypical Hormone-Processing Protease Kex2 in Complex with an Ala-Lys-Arg Boronic Acid Inhibitor
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D135 D184 K224 N227 F229 G231
Binding residue
(residue number reindexed from 1)		D13 D62 K102 N105 F107 G109
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D175 H213 N314 S385
Catalytic site (residue number reindexed from 1) D53 H91 N192 S263
Enzyme Commision number 3.4.21.61: kexin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1ot5, PDBe:1ot5, PDBj:1ot5
PDBsum1ot5
PubMed12779325
UniProtP13134|KEX2_YEAST Kexin (Gene Name=KEX2)

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