Structure of PDB 7reu Chain A Binding Site BS02

Receptor Information

>7reu Chain A (length=348) Species: 498019 (Candidozyma auris)

PIPEEYDDTRIMGYDPLIPPALLQNEIKASKKSLETVIKGRVDASRIIGG
KDDRCLVIVGPCSIHDPEAALEYANRLKKISEELENDLVIIMRAYLEKGW
KGLINDPNVDNSFDINKGLRVSRKLYADLTGAVGIPIGSEMLDTISPQYF
SDLLSFGAVGARTTESQLHRELASGLSFPIGFKNGTDGNVGVALDAVQAS
SKGHHFMGVTKNGLAAITTTKGNDHCFIILRGGKNLTNYDLQSVQSAKSA
IAKSSNPNIKIMIDCSHDNSKKDYRNQPAVLEDVSRQIEAGENALMGVMI
ESNINEGKQSMALKYGVSITDSCVSWDTTVKMLNNLARAVQKRRQKNG

Ligand information

• Ligand ID: TYR
• InChI: InChI=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
• InChIKey: OUYCCCASQSFEME-QMMMGPOBSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc1ccc(O)cc1
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C[C@@H](C(=O)O)N)O
  OpenEye OEToolkits 1.5.0: c1cc(ccc1CC(C(=O)O)N)O
  CACTVS 3.341: N[CH](Cc1ccc(O)cc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccc(O)cc1)C(O)=O
• Formula: C9 H11 N O3
• Name: TYROSINE
• ChEMBL: CHEMBL925
• DrugBank: DB00135
• ZINC: ZINC000000266964
• PDB chain: 7reu Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7reu Crystal structure of Aro4p, 3-deoxy-D-arabino-heptulosonate-7-phosphate (DAHP) synthase from Candida auris, L-Tyr complex
• Resolution: 2.79 Å
• Binding residue (original residue number in PDB): D12 Y18
• Binding residue (residue number reindexed from 1): D8 Y14
• Annotation score: 1

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

External links

• PDB: RCSB:7reu, PDBe:7reu, PDBj:7reu
• PDBsum: 7reu
• UniProt: A0A2H0ZNV2