Structure of PDB 2gag Chain A Binding Site BS03

Receptor Information
>2gag Chain A (length=965) Species: 40324 (Stenotrophomonas maltophilia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSKPQRLSAEQSSRARINREEALSLTVDGAKLSAFRGDTVASALLANGVR
RAGNSLYLDRPRGIFAAGVEEPNALVTVSARHEQDIDESMLPATTVPVTE
DLNATLLSGLGVLDPTKDPAYYDHVHVHTDVLVVGAGPAGLAAAREASRS
GARVMLLDERAEAGGTLLDTAGEQIDGMDSSAWIEQVTSELAEAEETTHL
QRTTVFGSYDANYLIAAQRRTVHLDGPSGPGVSRERIWHIRAKQVVLATG
AHERPIVFENNDRPGIMLAGAVRSYLNRYGVRAGARIAVATTNDSAYELV
RELAATGGVVAVIDARSSISAAAAQAVADGVQVISGSVVVDTEADENGEL
SAIVVAELDEARELGGTQRFEADVLAVAGGFNPVVHLHSQRQGKLDWDTT
IHAFVPADAVANQHLAGAMTGRLDTASALSTGAATGAAAATAAGFATVAR
TPQALETALGETRPVWLVPSVSGDDAVNYKFHFVDLQRDQTVADVLRATG
AGMKSVEHIKRYTSISTANDQGKTSGVAAIGVIAAVLGIENPAAIGTTTF
RAPYTPVAFAALAGRNRGDQLDPARITAMHSWHLSHGAEFEDVGQWKRPW
YYPQAGETMDQAVYRESKAVRDSVGMLDATTLGKIEIRGKDAAEFLNRIY
TNGYTKLKVGMGRYGVMCKADGMIFDDGVTLRLAEDRFLLHTTTGGAADV
LDWLEEWLQTEWPDLDVTCTSVTEQLATVAVVGPRSRDVIAKLASTVDVS
NEGFKFMAFKDVVLDSGIEARISRISFSGELAFEIAVPAWHGLRVWEDVY
AAGEEFNITPYGTETMHVLRAEKGFIIVGQDTDGTVTPQDAGMEWVVSKL
KDFIGNRSYSRADNAREDRKQLVSVLPVDKSLRLPEGAALVASDALASEG
ITPMEGWVTSSYDSPNLGRTFGLALIKNGRNRIGEVLKTPVGDQLVDVVV
SETVLYDPEGSRRDG
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 chain2gag Chain B Residue 502 [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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PDB2gag Heterotetrameric sarcosine oxidase: structure of a diflavin metalloenzyme at 1.85 a resolution.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		K510 R511 T517 Q521 T549 R551
Binding residue
(residue number reindexed from 1)		K510 R511 T517 Q521 T549 R551
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L350 L375 D677
Catalytic site (residue number reindexed from 1) L350 L375 D677
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008115 sarcosine oxidase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0046653 tetrahydrofolate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2gag, PDBe:2gag, PDBj:2gag
PDBsum2gag
PubMed16820168
UniProtQ3ZDQ8

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