Structure of PDB 7rj1 Chain B Binding Site BS02

Receptor Information
>7rj1 Chain B (length=265) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMDFMKPETVLDLANIRQALVRMEDTIVFDLIERSQFFSSPSVYEKNKYN
IPNFDGTFLEWALLQLEVAHSQIRRYEAPDETPFFPDQLKTPILPPINYP
KILAKYSDEINVNSEIMKFYVDEIVPQVSCGQGDQKENLGSASTCDIECL
QAISRRIHFGKFVAEAKYQSDKPLYIKLILDKDVKGIENSITNSAVEQKI
LERLIVKAESYGVDPSLKQNVQSKVKPEVIAKLYKDWIIPLTKKVEIDYL
LRRLEDEDVELVEKY
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 chain7rj1 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7rj1 Crystal structure of Aro7p chorismate mutase from Candida albicans, complex with L-Trp
Resolution2.16 Å
Binding residue
(original residue number in PDB)		E136 N137 G139 S140 T143
Binding residue
(residue number reindexed from 1)		E137 N138 G140 S141 T144
Annotation score1
Enzymatic activity
Enzyme Commision number 5.4.99.5: chorismate mutase.
Gene Ontology
Molecular Function
GO:0004106 chorismate mutase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
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:0005575 cellular_component
GO:0005634 nucleus
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:7rj1, PDBe:7rj1, PDBj:7rj1
PDBsum7rj1
PubMed
UniProtQ59TS4

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