Structure of PDB 4csm Chain B Binding Site BS01

Receptor Information
>4csm Chain B (length=252) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDFTKPETVLNLQNIRDELVRMEDSIIFKFIERSHFATCPSVYEANHPGL
EIPNFKGSFLDWALSNLEIAHSRIRRFESPDETPFFPDKIQKSFLPSINY
PQILAPYAPEVNYNDKIKKVYIEKIIPLISKRDGDDKNNFGSVATRDIEC
LQSLSRRIHFGKFVAEAKFQSDIPLYTKLIKSKDVEGIMKNITNSAVEEK
ILERLTKKAEVYGVDPTERRITPEYLVKIYKEIVIPITKEVEVEYLLRRL
EE
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 chain4csm Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4csm Mechanisms of catalysis and allosteric regulation of yeast chorismate mutase from crystal structures.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R16 R157 K168 T193 N194 E198 I239 K243 E246
Binding residue
(residue number reindexed from 1)		R16 R157 K168 T193 N194 E198 I235 K239 E242
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R16 R157 K168 N194 E198 T242 E246
Catalytic site (residue number reindexed from 1) R16 R157 K168 N194 E198 T238 E242
Enzyme Commision number 5.4.99.5: chorismate mutase.
Gene Ontology
Molecular Function
GO:0004106 chorismate mutase activity
GO:0005515 protein binding
GO:0016853 isomerase activity
GO:0072545 L-tyrosine binding
GO:0120284 tryptophan binding
Biological Process
GO:0006571 tyrosine biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
GO:0009094 L-phenylalanine biosynthetic process
GO:0046417 chorismate metabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4csm, PDBe:4csm, PDBj:4csm
PDBsum4csm
PubMed9384560
UniProtP32178|CHMU_YEAST Chorismate mutase (Gene Name=ARO7)

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