Structure of PDB 4hxg Chain C Binding Site BS02

Receptor Information
>4hxg Chain C (length=612) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEWDEKTFTKFAYLSDPRTRKNLVAYVLTKANLESNKYENTIVIENLEDG
SRKFIEDASMPRISPDGKKIAFMRFNKTAQIWVADLKTLSAKKVLEAKNI
RSIEWNQDSRRLLAVGFKRREDEDFIFEDDVPAWFDNMGFFDGEKTTFWV
IDTEGEEVIEQFEKPRFSSGIWHGDSIVVSVPHRDVIPRYFKYWDIYLWK
DGEEEKLFEKVSFYAIDSDGERILLYGKPEKKYVSEHDKIYIYDGEVKGI
LDDIDREVAQAKIRNGKVYFTLFEEGSVNLYLWDGEVREIAKGKHWIMGF
DADERLIYLKETATRPAELYLWDGEERQLTDYNGLIFKKLKTFEPRHFRF
KSIDLELDGWYIKPEIKEGEKAPVIVFVHGGPKGMYGYYFKYEMQLMASK
GYYIVYVNPRGSNGYSEDFALRVLERTGLEDFQDILNGIEEFLRLEPQAD
RERIGITGIAYGGYMTNWALTQSDLFKAGISENGISYWLTSYAFSDIGLW
FDKEVIGDNPLENENYRKLSPLFYAKNVKAPLLLIHSLEDYRCPLDQSLM
FYHVLKDLGKEVYIAIFKKGAHGHSIRGSPRHRMKRYKLFMEFFERKLKK
YEEGFDVEKILK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4hxg Chain C Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hxg A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D244 E263
Binding residue
(residue number reindexed from 1)		D238 E257
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H385 A466 Y467 D546 H580
Catalytic site (residue number reindexed from 1) H379 A460 Y461 D540 H574
Enzyme Commision number 3.4.19.1: acylaminoacyl-peptidase.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008233 peptidase activity
GO:0008236 serine-type peptidase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4hxg, PDBe:4hxg, PDBj:4hxg
PDBsum4hxg
PubMed23632025
UniProtO58323

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