Structure of PDB 5hud Chain A Binding Site BS02

Receptor Information
>5hud Chain A (length=444) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEGMQQQFEDTISRDAKQQPTWDRAQAENVRKILESVPPIVVAPEVLELK
QKLADVANGKAFLLQGGDCAETFESNTEPHIRANVKTLLQMAVVLTYGAS
TPVIKMARIAGQYAKPRSSDLDGNGLPNYRGDIVNGVEATPEARRHDPAR
MIRAYANASAAMNLVRALTSSGTADLYRLSEWNREFVANSPAGARYEALA
REIDSGLRFMEACGVSDESLRAADIYCSHEALLVDYERSMLRLATDEEGN
EELYDLSAHQLWIGERTRGMDDFHVNFASMISNPIGIKIGPGITPEEAVA
YADKLDPNFEPGRLTIVARMGHDKVRSVLPGVIQAVEASGHKVIWQSDPM
HGNTFTASNGYKTRHFDKVIDEVQGFFEVHRALGTHPGGIHIEFTGEDVT
ECLGGAEDITDVDLPGRYESACDPRLNTQQSLELAFLVAEMLRN
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 chain5hud Chain A Residue 509 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hud Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		A120 V121 K133 A202 S247 A250
Binding residue
(residue number reindexed from 1)		A92 V93 K105 A174 S219 A222
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.
Gene Ontology
Molecular Function
GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009423 chorismate biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5hud, PDBe:5hud, PDBj:5hud
PDBsum5hud
PubMed29178787
UniProtQ8NNL5

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