Structure of PDB 1e5d Chain A Binding Site BS01

Receptor Information
>1e5d Chain A (length=401) Species: 879 (Megalodesulfovibrio gigas) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QATKIIDGFHLVGAIDWNSRDFHGYTLSPMGTTYNAYLVEDEKTTLFDTV
KAEYKGELLCGIASVIDPKKIDYLVIQHLELDHAGALPALIEACQPEKIF
TSSLGQKAMESHFHYKDWPVQVVKHGETLSLGKRTVTFYETRMLHWPDSM
VSWFADEKVLISNDIFGQNIAASERFSDQIPVHTLERAMREYYANIVNPY
APQTLKAIETLVGAGVAPEFICPDHGVIFRGADQCTFAVQKYVEYAEQKP
TNKVVIFYDSMWHSTEKMARVLAESFRDEGCTVKLMWCKACHHSQIMSEI
SDAGAVIVGSPTHNNGILPYVAGTLQYIKGLRPQNKIGGAFGSFGWSGES
TKVLAEWLTGMGFDMPATPVKVKNVPTHADYEQLKTMAQTIARALKAKLA
A
Ligand information
Ligand IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain1e5d Chain A Residue 403 [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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PDB1e5d Structure of a Dioxygen Reduction Enzyme from Desulfovibrio Gigas
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S261 M262 W263 H264 S265 T266 P312 T313 H314 N315 S344 G346 W347 S348 N375
Binding residue
(residue number reindexed from 1)		S260 M261 W262 H263 S264 T265 P311 T312 H313 N314 S343 G345 W346 S347 N374
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H24 H79 E81 D83 H146 D165 Y193 H226
Catalytic site (residue number reindexed from 1) H23 H78 E80 D82 H145 D164 Y192 H225
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0022904 respiratory electron transport chain

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1e5d, PDBe:1e5d, PDBj:1e5d
PDBsum1e5d
PubMed11062560
UniProtQ9F0J6|ROO_MEGG1 Rubredoxin-oxygen oxidoreductase (Gene Name=roo)

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