Structure of PDB 4hxf Chain B Binding Site BS03

Receptor Information

>4hxf Chain B (length=613) Species: 70601 (Pyrococcus horikoshii OT3)

IEWDEKTFTKFAYLSDPRTRKNLVAYVLTKANLESNKYENTIVIENLEDG
SRKFIEDASMPRISPDGKKIAFMRFEKKTAQIWVADLKTLSAKKVLEAKN
IRSIEWNQDSRRLLAVGFKRREDEDFIFEDDVPAWFDNMGFFDGEKTTFW
VIDTEGEEVIEQFEKPRFSSGIWHGDSIVVSVPHRDVIPRYFKYWDIYLW
KDGEEEKLFEKVSFYAIDSDGERILLYGKPEKKYVSEHDKIYIYDGEVKG
ILDDIDREVAQAKIRNGKVYFTLFEEGSVNLYLWDGEVREIAKGKHWIMG
FDADERLIYLKETATRPAELYLWDGEERQLTDYNGLIFKKLKTFEPRHFR
FKSIDLELDGWYIKPEIKEGEKAPVIVFVHGGPKGMYGYYFKYEMQLMAS
KGYYIVYVNPRGSNGYSEDFALRVLERTGLEDFQDILNGIEEFLRLEPQA
DRERIGITGISYGGYMTNWALTQSDLFKAGISENGISYWLTSYAFSDIGL
WFDKEVIGDNPLENENYRKLSPLFYAKNVKAPLLLIHSLEDYRCPLDQSL
MFYHVLKDLGKEVYIAIFKKGAHGHSIRGSPRHRMKRYKLFMEFFERKLK
KYEEGFDVEKILK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4hxf Chain B Residue 705

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hxf A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
• Resolution: 1.601 Å
• Binding residue (original residue number in PDB): K99 E162
• Binding residue (residue number reindexed from 1): K94 E157
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H385 S466 Y467 D546 H580
• Catalytic site (residue number reindexed from 1): H380 S461 Y462 D541 H575
• 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

External links

• PDB: RCSB:4hxf, PDBe:4hxf, PDBj:4hxf
• PDBsum: 4hxf
• PubMed: 23632025
• UniProt: O58323