Structure of PDB 8hx8 Chain A Binding Site BS02

Receptor Information
>8hx8 Chain A (length=673) Species: 54571 (Streptomyces venezuelae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRHMRTLLIDNYDSFTHNLFQYIGEATGQPPVVVPNDADWSRLPVEDFDA
IVVSPGPGSPDRERDFGISRRAITDSGLPVLGVCLGHQGIAQLFGGTVGL
APEPMHGRVSEVRHTGEDVFRGLPSPFTAVRYHSLAATDLPDELEPLAWS
DDGVVMGLRHREKPLWGVQFHPESIGSDFGREIMANFRDLALAHHRARSP
YELHVRRVDVLPDAEEVRRGCLPGEGTTFWLDSSSVLEGASRFSFLGDDR
GPLAEYLTYRVADGVVSVRGSDGTTTRTRRPFFNYLEEQLERRRVPVAPE
LPFEFNLGYVGYLGYELKAETTGDPAHRSPHPDAAFLFADRAIALDHQEG
CCYLLALDRRGHDDGARAWLRETAETLTGLAVRAPAEPTPAMVFGAGFGP
LARARHDKDAYLKRIDECLKEIRNGESYEICLTNMVTAPTEATALPLYSA
LRAISPVPYGALLEFPELSVLSASPERFLTIGADGGVESKPIKGTRPRGG
TAEEDERLRADLAGREKDRAENLMIVDLVRNDLNSVCAIGSVHVPRLFEV
ETYAPVHQLVSTIRGRLRPGTSTAACVRAAFPGGSMTGAPKKRTMEIIDR
LEEGPRGVYSGALGWFALSGAADLSIVIRTIVLADGQAEFGVGGAIVSLS
DQEEEFTETVVKARAMVTALDGS
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 chain8hx8 Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hx8 Structural basis for the allosteric pathway of 4-amino-4-deoxychorismate synthase.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		I172 S174
Binding residue
(residue number reindexed from 1)		I175 S177
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.85: aminodeoxychorismate synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0046820 4-amino-4-deoxychorismate synthase activity
Biological Process
GO:0006541 glutamine metabolic process
GO:0008153 para-aminobenzoic acid biosynthetic process
GO:0009058 biosynthetic process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0017000 antibiotic biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8hx8, PDBe:8hx8, PDBj:8hx8
PDBsum8hx8
PubMed37712435
UniProtF2RB79|ADCS_STRVP Aminodeoxychorismate synthase (Gene Name=cmlB)

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