Structure of PDB 7d4e Chain A Binding Site BS01

Receptor Information
>7d4e Chain A (length=578) Species: 5547 (Trichoderma viride) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFAESVRTRWARRLIREKVAKELNILTEGGYSHDNLPSDPLYSSIEEELP
PRKVCIVGAGVSGLYIAMILDDLKIPNLTYDIFESSSRTGGRLYTHHFTD
AKHDYYDIGAMRYPDIPSMKRTFNLFKRTGMPLIKYYLDGENTPQLYNNH
FFAKGVVDPYMVSVANGGTVPDDVVDSVGEKLQQAFGYYKEKLAEDFDKG
FDELMLVDDMTTREYLKRGGPKGEAPKYDFFAIQWMETQNTGTNLFDQAF
SESVIDSFDFDNPTKPEWYCIEGGTSLLVDAMKETLVHKVQNNKRVEAIS
IDLDAPDDGNMSVKIGGKDYSGYSTVFNTTALGCLDRMDLRGLNLHPTQA
DAIRCLHYDNSTKVALKFSYPWWIKDCGITCGGAASTDLPLRTCVYPSYN
LGDTGEAVLLASYTWSQDATRIGSLVKDAPPQPPKEDELVELILQNLARL
HAEHMTYEKIKEAYTGVYHAYCWANDPNVGGAFALFGPGQFSNLYPYLMR
PAAGGKFHIVGEASSVHHAWIIGSLESAYTAVYQFLYKYKMWDYLRLLLE
RWQYGLQELETGKHGTAHLQFILGSLPK
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain7d4e Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7d4e Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
Resolution1.85 Å
Binding residue
(original residue number in PDB)		G91 G93 V94 S95 E117 S118 G124 R125 G142 A143 M144 R145 Y146 R328 V329 T363 C367 S394 W506 N511 A515 E545 W553 I554 S557
Binding residue
(residue number reindexed from 1)		G58 G60 V61 S62 E84 S85 G91 R92 G109 A110 M111 R112 Y113 R295 V296 T330 C334 S361 W473 N478 A482 E512 W520 I521 S524
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0001716 L-amino-acid oxidase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0009063 amino acid catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7d4e, PDBe:7d4e, PDBj:7d4e
PDBsum7d4e
PubMed33554108
UniProtA0A0G4DCU0

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