Structure of PDB 7reu Chain B Binding Site BS02

Receptor Information
>7reu Chain B (length=358) Species: 498019 (Candidozyma auris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEYDDTRIMGYDPLIPPALLQNEIKASKKSLETVIKGRVDASRIIGGKDD
RCLVIVGPCSIHDPEAALEYANRLKKISEELENDLVIIMRAYLEKPRTTV
GWKGLINDPNVDNSFDINKGLRVSRKLYADLTGAVGIPIGSEMLDTISPQ
YFSDLLSFGAVGARTTESQLHRELASGLSFPIGFKNGTDGNVGVALDAVQ
ASSKGHHFMGVTKNGLAAITTTKGNDHCFIILRGGKNLTNYDLQSVQSAK
SAIAKSSNPNIKIMIDCSHDNSKKDYRNQPAVLEDVSRQIEAGENALMGV
MIESNINEGKQSMPSGNEGKSALKYGVSITDSCVSWDTTVKMLNNLARAV
QKRRQKNG
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain7reu Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7reu Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
Resolution2.79 Å
Binding residue
(original residue number in PDB)		T153 Q157 S160 L185 S186
Binding residue
(residue number reindexed from 1)		T146 Q150 S153 L178 S179
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
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009058 biosynthetic process
GO:0009073 aromatic amino acid family biosynthetic process
Cellular Component
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:7reu, PDBe:7reu, PDBj:7reu
PDBsum7reu
PubMed
UniProtA0A2H0ZNV2

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