Structure of PDB 3c3e Chain D Binding Site BS01

Receptor Information
>3c3e Chain D (length=305) Species: 192952 (Methanosarcina mazei Go1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIIFSGGTGTPKLLDGLKEILPEEELTVVVNTAEDLWVSGNLISPDLDTV
LYLFSDQIDRKRWWGIENDTFGTYERMKELGIEEGLKLGDRDRATHIIRS
NIIRDGASLTDSTVKLSSLFGIKANILPMSDDPVSTYIETAEGIMHFQDF
WIGKRGEPDVRGVDIRGVSEASISPKVLEAFEKEENILIGPSNPITSIGP
IISLPGMRELLKKKKVVAVSPIIGNAPVSGPAGKLMPACGIEVSSMGVAE
YYQDFLDVFVFDERDRADEFAFERLGCHASRADTLMTSTEKSKELAEIVV
QAFLE
Ligand information
Ligand IDFO1
InChIInChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1
InChIKeyAUEILLWDYUBWCM-XQQFMLRXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
ACDLabs 10.04O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@@H](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13
OpenEye OEToolkits 1.5.0c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(CO)O)O)O
FormulaC16 H17 N3 O7
Name1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol;
7,8-didemethyl-8-hydroxy-5-deazariboflavin
ChEMBL
DrugBank
ZINCZINC000100069844
PDB chain3c3e Chain D 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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PDB3c3e Molecular insights into the biosynthesis of the f420 coenzyme.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		P45 D48 W64 L86 D92
Binding residue
(residue number reindexed from 1)		P45 D48 W64 L86 D92
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.8.28: 2-phospho-L-lactate transferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016740 transferase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0043743 LPPG:FO 2-phospho-L-lactate transferase activity
Biological Process
GO:0052645 F420-0 metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3c3e, PDBe:3c3e, PDBj:3c3e
PDBsum3c3e
PubMed18252724
UniProtQ8PVT6|COFD_METMA 2-phospho-L-lactate transferase (Gene Name=cofD)

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