Structure of PDB 8c0z Chain E Binding Site BS01

Receptor Information
>8c0z Chain E (length=424) Species: 551760 (Aromatoleum aromaticum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKHVILGNGPAGVIAAETLRRAAPTDDILLFGSEDAPPYSRMAIPYLLEG
NIDESGTWLRKSPGHFDRLRIHEMRGRAVSLDSERRRILFDDGHFESWDR
LLIATGSHPVRPPIPGIDLPEVQTCWTLEDARAIARFATPGARVLQLGAG
FIGCIIMEALAARGVELTVVEMGDRMVPRMMTPTAGGMIRKWVEDQGVRV
VTNAGVSRIDCRASNDAPLDVTLSTGEVVVADLVIVAAGVAPNIAFLEAT
PVHVAKGVLVDDRLQTSVPGIFAAGDVAEAPDLFTGAHLVAAIQPNAADQ
ARVAALNMAGHEARLKGVLAINVLDTLGLISSSFGQWWGEERERGGAGVE
HVDEAAYRYLSLQFKDDVLIGATSIGLTEHVGALRGLIHGRVRLGEWKER
LLHSPLQFVDAYIARSQQPMALVR
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 chain8c0z Chain E Residue 501 [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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PDB8c0z A bacterial tungsten-containing aldehyde oxidoreductase forms an enzymatic decorated protein nanowire.
Resolution3.22 Å
Binding residue
(original residue number in PDB)		G7 P10 R41 M42 P45 T105 W126 F151 D276
Binding residue
(residue number reindexed from 1)		G7 P10 R41 M42 P45 T105 W126 F151 D276
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:8c0z, PDBe:8c0z, PDBj:8c0z
PDBsum8c0z
PubMed37267359
UniProtQ5P142

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