Structure of PDB 7rj1 Chain B Binding Site BS01

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 A 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)		I72 R74 E80
Binding residue
(residue number reindexed from 1)		I73 R75 E81
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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