Structure of PDB 4hxg Chain I Binding Site BS01

Receptor Information
>4hxg Chain I (length=611) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEWDEKTFTKFAYLSDPRTRKNLVAYVLTKANLESNKYENTIVIENLEDG
SRKFIEDASMPRISPDGKKIAFMRFNTAQIWVADLKTLSAKKVLEAKNIR
SIEWNQDSRRLLAVGFKRREDEDFIFEDDVPAWFDNMGFFDGEKTTFWVI
DTEGEEVIEQFEKPRFSSGIWHGDSIVVSVPHRDVIPRYFKYWDIYLWKD
GEEEKLFEKVSFYAIDSDGERILLYGKPEKKYVSEHDKIYIYDGEVKGIL
DDIDREVAQAKIRNGKVYFTLFEEGSVNLYLWDGEVREIAKGKHWIMGFD
ADERLIYLKETATRPAELYLWDGEERQLTDYNGLIFKKLKTFEPRHFRFK
SIDLELDGWYIKPEIKEGEKAPVIVFVHGGPKGMYGYYFKYEMQLMASKG
YYIVYVNPRGSNGYSEDFALRVLERTGLEDFQDILNGIEEFLRLEPQADR
ERIGITGIAYGGYMTNWALTQSDLFKAGISENGISYWLTSYAFSDIGLWF
DKEVIGDNPLENENYRKLSPLFYAKNVKAPLLLIHSLEDYRCPLDQSLMF
YHVLKDLGKEVYIAIFKKGAHGHSIRGSPRHRMKRYKLFMEFFERKLKKY
EEGFDVEKILK
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 I Residue 703 [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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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)		K99 E162
Binding residue
(residue number reindexed from 1)		K92 E155
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H385 A466 Y467 D546 H580
Catalytic site (residue number reindexed from 1) H378 A459 Y460 D539 H573
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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