Structure of PDB 7d4c Chain A Binding Site BS01

Receptor Information
>7d4c Chain A (length=595) Species: 5547 (Trichoderma viride) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVDFAESVRTRWARRLIREKVAKELNILTERLGEVPGIPPPRGGYSHDNL
PSDPLYSSIKPAEEELPPRKVCIVGAGVSGLYIAMILDDLKIPNLTYDIF
ESSSRTGGRLYTHHFTDAKHDYYDIGAMRYPDIPSMKRTFNLFKRTGMPL
IKYYLDGENTPQLYNNHFFAKGVVDPYMVSVANGGTVPDDVVDSVGEKLQ
QAFGYYKEKLAEDFDKGFDELMLVDDMTTREYLKRGGPKGEAPKYDFFAI
QWMETQNTGTNLFDQAFSESVIDSFDFDNPTKPEWYCIEGGTSLLVDAMK
ETLVHKVQNNKRVEAISIDLDAPDDGNMSVKIGGKDYSGYSTVFNTTALG
CLDRMDLRGLNLHPTQADAIRCLHYDNSTKVALKFSYPWWIKDCGITCGG
AASTDLPLRTCVYPSYNLGDTGEAVLLASYTWSQDATRIGSLVKDAPPQP
PKEDELVELILQNLARLHAEHMTYEKIKEAYTGVYHAYCWANDPNVGGAF
ALFGPGQFSNLYPYLMRPAAGGKFHIVGEASSVHHAWIIGSLESAYTAVY
QFLYKYKMWDYLRLLLERWQYGLQELETGKHGTAHLQFILGSLPK
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 chain7d4c Chain A Residue 900 [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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PDB7d4c Structural basis of enzyme activity regulation by the propeptide of l-lysine alpha-oxidase precursor from Trichoderma viride .
Resolution1.97 Å
Binding residue
(original residue number in PDB)		V90 G91 G93 V94 S95 E117 S118 G124 R125 G142 A143 R145 Y146 R328 V329 T363 C367 W506 N511 A515 E545 W553 I554 S557
Binding residue
(residue number reindexed from 1)		V74 G75 G77 V78 S79 E101 S102 G108 R109 G126 A127 R129 Y130 R312 V313 T347 C351 W490 N495 A499 E529 W537 I538 S541
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:7d4c, PDBe:7d4c, PDBj:7d4c
PDBsum7d4c
PubMed33554108
UniProtA0A0G4DCU0

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