Structure of PDB 7pd1 Chain A Binding Site BS03

Receptor Information

>7pd1 Chain A (length=366) Species: 401526 (Thermosinus carboxydivorans Nor1)

GTFYDVIEDYRHFDFAAYFAKVTDSDVRRILRQDRLSALDFLTLLSPQAE
AYLEEMAQKAHRLTVQHFGRTMLLYTPLYLANYCVNQCVYCGFQLKNKLE
RKKLTLAEVEQEAQLIAATGLKHILILTGESRQHSPVSYIKDCVNILKKY
FSSISIEIYPLTQEEYAELIGAGVDGLTIYQEVYNEEVYAEMHPAGPKRN
YRFRLEAPERACQAGMRTVNIGALLGLNDWRQEAFFTGLHADYLQRRFPD
VEVSISPPRMRPHLGGFPPRVVVSDQNLVQYVLAFRLFMPRSGITLSTRE
NGRLRDAMVRLGVTKMSAGSCTAVGGRSDQEAVGQFQISDERTVAEVAAM
LYAQGYQPVYKDWQAL

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: 7pd1 Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7pd1 L-tyrosine-bound ThiH structure reveals C-C bond break differences within radical SAM aromatic amino acid lyases.
• Resolution: 1.27 Å
• Binding residue (original residue number in PDB): Y76 P78 E158 Y181 S298 T299 R300 S318 S321 F337
• Binding residue (residue number reindexed from 1): Y75 P77 E157 Y180 S297 T298 R299 S317 S320 F336
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0005506 iron ion binding
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009228 thiamine biosynthetic process
• GO:0042364 water-soluble vitamin biosynthetic process
• GO:0044272 sulfur compound biosynthetic process

External links

• PDB: RCSB:7pd1, PDBe:7pd1, PDBj:7pd1
• PDBsum: 7pd1
• PubMed: 35477710
• UniProt: A1HPQ5