Structure of PDB 5huc Chain A Binding Site BS03

Receptor Information
>5huc Chain A (length=449) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLPPLPEGMQQQFEDTISRDAKQQPTWDRAQAENVRKILESVPPIVVAPE
VLELKQKLADVANGKAFLLQGGDCAETFESNTEPHIRANVKTLLQMAVVL
TYGASTPVIKMARIAGQYAKPRSSDLDGNGLPNYRGDIVNGVEATPEARR
HDPARMIRAYANASAAMNLVRALTSSGTADLYRLSEWNREFVANSPAGAR
YEALAREIDSGLRFMEACGVSDESLRAADIYCSHEALLVDYERSMLRLAT
DEEGNEELYDLSAHQLWIGERTRGMDDFHVNFASMISNPIGIKIGPGITP
EEAVAYADKLDPNFEPGRLTIVARMGHDKVRSVLPGVIQAVEASGHKVIW
QSDPMHGNTFTASNGYKTRHFDKVIDEVQGFFEVHRALGTHPGGIHIEFT
GEDVTECLGGAEDITDVDLPGRYESACDPRLNTQQSLELAFLVAEMLRN
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 chain5huc Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5huc Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		A120 V121 K133 S247
Binding residue
(residue number reindexed from 1)		A97 V98 K110 S224
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:5huc, PDBe:5huc, PDBj:5huc
PDBsum5huc
PubMed29178787
UniProtQ8NNL5

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