Structure of PDB 5hud Chain H Binding Site BS01

Receptor Information
>5hud Chain H (length=83) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLSDAEIQKYREEINRLDREILDAVKRRTKISQTIGKTRMSSGGTRLVHT
REVAIINQFREEIGEEGPALAGILLRMGRGKLG
Ligand information
Ligand IDTSA
InChIInChI=1S/C10H12O6/c11-5-1-2-10(9(14)15)3-6(5)16-7(4-10)8(12)13/h1-2,5-7,11H,3-4H2,(H,12,13)(H,14,15)/t5-,6-,7+,10+/m1/s1
InChIKeyKRZHNRULRHECRF-JQCUSGDOSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C1OC2C(O)C=CC(C(=O)O)(C1)C2
CACTVS 3.341O[C@@H]1C=C[C@@]2(C[C@H]1O[C@@H](C2)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C1C2C(C=CC1(CC(O2)C(=O)O)C(=O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O
CACTVS 3.341O[CH]1C=C[C]2(C[CH]1O[CH](C2)C(O)=O)C(O)=O
FormulaC10 H12 O6
Name8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID
ChEMBLCHEMBL197577
DrugBankDB08648
ZINCZINC000005851130
PDB chain5hud Chain H Residue 106 [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)		R35 S39 I42 R46 L54 V55 E59 L82 R86
Binding residue
(residue number reindexed from 1)		R28 S32 I35 R39 L47 V48 E52 L75 R79
Annotation score1
Enzymatic activity
Enzyme Commision number 5.4.99.5: chorismate mutase.
Gene Ontology
Biological Process
GO:0046417 chorismate metabolic process

View graph for
Biological Process
External links
PDB RCSB:5hud, PDBe:5hud, PDBj:5hud
PDBsum5hud
PubMed29178787
UniProtQ8NS29

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