Structure of PDB 6dvi Chain B Binding Site BS01

Receptor Information
>6dvi Chain B (length=394) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSNWGDYENEIYGQGLVGVAPTLPMSYADWEAHAQQALPPGVLSYVAGGS
GDEHTQRANVEAFKHWGLMPRMLMAATERDLSVELWGKTWAAPMFFAPIG
VIALCAQDGHGDAASAQASARTGVPYITSTLAVSSLEDIRKHAGDTPAYF
QLYYPEDRDLAESFIRRAEEAGYDGLVITLDTWIFGWRPRDLTISNFPFL
RGLCLTNYVTDPVFQKKFKAHSGVEAEGLRDNPRLAADFWHGLFGHSVTW
EDIDWVRSITKMPVILKGIQHPDDARRAVDSGVDGIYCSNHGGRQANGGL
PALDCLPEVVKASGDTPVLFDSGIRTGADVVKALAMGASAVGIGRPYAWG
AALGGSKGIEHVARSLLAEADLIMAVDGYRNLKELTIDALRPTR
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 chain6dvi Chain B Residue 401 [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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PDB6dvi Structure and role for active site lid of lactate monooxygenase from Mycobacterium smegmatis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P97 I98 G99 S128 Q150 Y152 T178 K266 H290 G291 R293 D320 S321 G322 R324 G343 R344
Binding residue
(residue number reindexed from 1)		P98 I99 G100 S129 Q151 Y153 T179 K267 H291 G292 R294 D321 S322 G323 R325 G344 R345
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y152 D180 H290
Catalytic site (residue number reindexed from 1) Y153 D181 H291
Enzyme Commision number 1.13.12.4: lactate 2-monooxygenase.
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0050040 lactate 2-monooxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:6dvi, PDBe:6dvi, PDBj:6dvi
PDBsum6dvi
PubMed30207005
UniProtP21795|LMO_MYCSM L-lactate 2-monooxygenase

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