Structure of PDB 8hx6 Chain A Binding Site BS01

Receptor Information
>8hx6 Chain A (length=660) Species: 54571 (Streptomyces venezuelae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHMRTLLIDNYDSFTHNLFQYIGEATGQPPVVVPNDADWSRLPVEDFDAI
VVSPGPGSPGISRRAITDSGLPVLGVCLGHQGIAQLFEPMHGRVSEVRHT
GEDVFRGLPSPFTAVRYHSLAATDLPDELEPLAWSDDGVVMGLRHREKPL
WGVQFHPESIGSDFGREIMANFRDLALAHHRARRHGADSPYELHVRRVDV
LPDAEEVRRGCLPGEGTTFWLDSSSVLEGASRFSFLGDDRGPLAEYLTYR
VADGVVSVRGSDGTTTRTRRPFFNYLEEQLERRRVPVAPELPFEFNLGYV
GYLGYELKAETTGDPAHRSPHPDAAFLFADRAIALDHQEGCCYLLALDRR
GHDDGARAWLRETAETLTGLAVRAPAEFGIPEAAAGFGPLARARHDKDAY
LKRIDECLKEIRNGESYEICLTNMVTAPTEATALPLYSALRAISPVPYGA
LLEFPELSVLSASPERFLTIGADGGVESKPIKGTRPRGGTAEEDERLRAD
LAGREKDRAENLMIVDLVRNDLNSVCAIGSVHVPRLFEVETYAPVHQLVS
TIRGRLRPGTSTAACVRAAFPGGSMTGAPKKRTMEIIDRLEEGPRGVYSG
ALGWFALSGAADLSIVIRTIVLADGQAEFGVGGAIVSLSDQEEEFTETVV
KARAMVTALD
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain8hx6 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hx6 Structural basis for the allosteric pathway of 4-amino-4-deoxychorismate synthase.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		L233 D234 S235 S243 F245 P465 Y466 G467 G621
Binding residue
(residue number reindexed from 1)		L221 D222 S223 S231 F233 P447 Y448 G449 G603
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:8hx6, PDBe:8hx6, PDBj:8hx6
PDBsum8hx6
PubMed37712435
UniProtF2RB79|ADCS_STRVP Aminodeoxychorismate synthase (Gene Name=cmlB)

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