Structure of PDB 2ohi Chain H Binding Site BS01

Receptor Information
>2ohi Chain H (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 chain2ohi Chain G Residue 702 [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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PDB2ohi Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H151 W152
Binding residue
(residue number reindexed from 1)		H151 W152
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:2ohi, PDBe:2ohi, PDBj:2ohi
PDBsum2ohi
PubMed17480207
UniProtQ50497|FPRA_METTM Coenzyme F420H(2) oxidase (Gene Name=fprA)

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