Structure of PDB 8day Chain A Binding Site BS01

Receptor Information

>8day Chain A (length=398) Species: 5127 (Fusarium fujikuroi)

QSVWKTLNKWLPPLSRDKDWWWKTLGPQINTLLTEADYDLNERYEALLLL
YRWVVPEMGPRPRSSVAPSKSFMTDDHSPIEYSWKWISGNKKPEIRYAVE
LVSPLAGSKQDPFNQIPTRNLVYNLAKIIPELDLTWFEHFWHELLGPGSP
LTKGSTVFAALEMLHGHLSVKVYFIPVETPDFSAWHQIKHAIEASGCPNL
EALNHVDAYLSSHDDGRQLRPFMLAIDLVEPAASRLKIYARSNQTSFRFV
RDVMTIGGLRTDLDRSIEKFSDLWKRALGLDPDTPPEDELPKVDHLTSGA
VFNFDVAPKSQIPEVKAYIPVRHYANNDLQAALGLIGYLEDHGHGGYSQS
YLRGLDMLAPSGQLDQATGVQTYFAVACQGEDLSLTSYLNPQFYAAFQ

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: 8day Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8day Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
• Resolution: 2.55 Å
• Binding residue (original residue number in PDB): F81 M82 R257 T313 Y389
• Binding residue (residue number reindexed from 1): F72 M73 R241 T297 Y373
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.5.1.-

Gene Ontology

Molecular Function

• GO:0016740 transferase activity
• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

Biological Process

• GO:0009820 alkaloid metabolic process

External links

• PDB: RCSB:8day, PDBe:8day, PDBj:8day
• PDBsum: 8day
• PubMed: 36084241
• UniProt: S0EH60|DMAT1_GIBF5 Dimethylallyltryptophan synthase 1 (Gene Name=DMATS1)