Structure of PDB 4wji Chain A Binding Site BS02

Receptor Information

>4wji Chain A (length=293) Species: 266834 (Sinorhizobium meliloti 1021)

AQQFQTIALIGIGLIGSSIARDIREKQLAGTIVVTTRSEATLKRAGELGL
GDRYTLSAAEAVEGADLVVVSVPVGASGAVAAEIAAHLKPGAIVTDVGST
KGSVIAQMAPHLPKDVHFVPGHPIAGTEHSGPDAGFAGLFRGRWCILTPP
AGTDEEAVARLRLFWETLGSMVDEMDPKHHDKVLAIVSHLPHIIAYNIVG
TADDLETVTESEVIKYSASGFRDFTRLAASDPTMWRDVCLHNKDAILEML
ARFSEDLASLQRAIRWGDGDKLFDLFTRTRAIRRSIVQAGQDT

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: 4wji Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wji Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex with NADP
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): S100 H123 A126 T128 R227
• Binding residue (residue number reindexed from 1): S99 H122 A125 T127 R226
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.3.1.-

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004665 prephenate dehydrogenase (NADP+) activity
• GO:0008977 prephenate dehydrogenase (NAD+) activity
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0070403 NAD+ binding

Biological Process

• GO:0006571 tyrosine biosynthetic process

External links

• PDB: RCSB:4wji, PDBe:4wji, PDBj:4wji
• PDBsum: 4wji
• UniProt: Q92MG1