Structure of PDB 2gag Chain B Binding Site BS03

Receptor Information
>2gag Chain B (length=403) Species: 40324 (Stenotrophomonas maltophilia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLLPEHPEFLWANPEPKKSYDAIIVGGGGHGLATAYFLAKNHGITNVAVL
EKGWLAGGNMARNTTIIRSNYLWDESAGIYEKSLKLWEQLPEDLEYDFLF
SQRGVLNLAHTLGDVRESVRRVEANKLNGVDAEWLDPSQVKEACPIINTS
DDIRYPVMGATWQPRAGIAKHDHVAWAFARKANEMGVDIIQNCEVTGFIK
DGEKVTGVKTTRGTIHAGKVALAGAGHSSVLAEMAGFELPIQSHPLQALV
SELFEPVHPTVVMSNHIHVYVSQAHKGELVMGAGIDSYNGYGQRGAFHVI
QEQMAAAVELFPIFARAHVLRTWGGIVDTTMDASPIISKTPIQNLYVNCG
WGTGGFKGTPGAGFTLAHTIANDEPHELNKPFSLERFETGHLIDEHGAAA
VAH
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
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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)		A63 R64 H173 V252 E280 R323 W325
Binding residue
(residue number reindexed from 1)		A61 R62 H171 V250 E278 R321 W323
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A63 T66 T67
Catalytic site (residue number reindexed from 1) A61 T64 T65
Enzyme Commision number 1.5.3.24: sarcosine oxidase (5,10-methylenetetrahydrofolate-forming).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008115 sarcosine oxidase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0046653 tetrahydrofolate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gag, PDBe:2gag, PDBj:2gag
PDBsum2gag
PubMed16820168
UniProtQ3ZDR0

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