Structure of PDB 7c3j Chain B Binding Site BS02

Receptor Information

>7c3j Chain B (length=509) Species: 5547 (Trichoderma viride)

ELPPRKVCIVGAGVSGLYIAMILDDLKIPNLTYDIFESSSRTGGRLYTHH
FTDAKHDYYDIGAMRYPDIPSMKRTFNLFKRTGMPLIKYYLDGENTPQLY
NNHFFAKGVVDPYMVSVANGGTVPDDVVDSVGEKLQQAFGYYKEKLAEDF
DKGFDELMLVDDMTTREYLKRGGPKGEAPKYDFFAIQWMETQNTGTNLFD
QAFSESVIASFDFDNPTKPEWYCIEGGTSLLVDAMKETLVHKVQNNKRVE
AISIDLDAPDDGNMSVKIGGKDYSGYSTVFNTTALGCLDRMDLRGLNLHP
TQADAIRCLHYANSTKVALKFSYPWWIKDCGITCGGAASTDLPLRTCVYP
SYNLGDTGEAVLLASYTWSQDATRIGSLVKDAPPQPPKEDELVELILQNL
ARLHAEHMTYEKIKEAYTGVYHAYCWANDPNVGGAFALFGPGQFSNLYPY
LMRPAAGGKFHIVGEASSVHHAWIIGSLESAYTAVYQFLYKYKMWDYLRL
LLERWQYGL

Ligand information

• Ligand ID: PHE
• InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
• InChIKey: COLNVLDHVKWLRT-QMMMGPOBSA-N
• SMILES:
  CACTVS 3.341: N[CH](Cc1ccccc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccccc1)C(O)=O
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)CC(C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)C[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)Cc1ccccc1
• Formula: C9 H11 N O2
• Name: PHENYLALANINE
• ChEMBL: CHEMBL301523
• DrugBank: DB00120
• ZINC: ZINC000000105196
• PDB chain: 7c3j Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7c3j Structural basis of strict substrate recognition of l-lysine alpha-oxidase from Trichoderma viride.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): R68 F216 Y369 W371 F439 A475 W476
• Binding residue (residue number reindexed from 1): R65 F213 Y366 W368 F436 A472 W473
• Annotation score: 2

Enzymatic activity

• Enzyme Commision number: 1.4.3.14: L-lysine oxidase.

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity

External links

• PDB: RCSB:7c3j, PDBe:7c3j, PDBj:7c3j
• PDBsum: 7c3j
• PubMed: 32894626
• UniProt: A0A0G4DCU0