Structure of PDB 2ohj Chain D Binding Site BS03

Receptor Information
>2ohj Chain D (length=403) Species: 145262 (Methanothermobacter thermautotrophicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAAAKRISDGVYWTGVLDWDLRNYHGYTLQGTTYNAYLVCGDEGVALID
NSYPGTFDELMARVEDALQQVGMERVDYIIQNHVEKDHSGVLVELHRRFP
EAPIYCTEVAVKGLLKHYPSLREAEFMTVKTGDVLDLGGKTLTFLETPLL
HWPDSMFTLLDEDGILFSNDAFGQHLCCPQRLDREIPEYILMDAARKFYA
NLITPLSKLVLKKFDEVKELGLLERIQMIAPSHGQIWTDPMKIIEAYTGW
ATGMVDERVTVIYDTMHGSTRKMAHAIAEGAMSEGVDVRVYCLHEDDRSE
IVKDILESGAIALGAPTIYDEPYPSVGDLLMYLRGLKFNRTLTRKALVFG
SMGGNGGATGTMKELLAEAGFDVACEEEVYYVPTGDELDACFEAGRKLAA
EIR
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 chain2ohj Chain D Residue 2701 [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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PDB2ohj Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		T265 M266 H267 S269 T270 P316 T317 I318 Y319 S351 M352 G353 G354 G356 Y381
Binding residue
(residue number reindexed from 1)		T265 M266 H267 S269 T270 P316 T317 I318 Y319 S351 M352 G353 G354 G356 Y381
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H26 H83 E85 D87 H151 D170 F198 H233
Catalytic site (residue number reindexed from 1) H26 H83 E85 D87 H151 D170 F198 H233
Enzyme Commision number 1.5.3.22: coenzyme F420H2 oxidase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2ohj, PDBe:2ohj, PDBj:2ohj
PDBsum2ohj
PubMed17480207
UniProtQ50497|FPRA_METTM Coenzyme F420H(2) oxidase (Gene Name=fprA)

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