Structure of PDB 3c3d Chain B Binding Site BS02

Receptor Information
>3c3d Chain B (length=306) 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
QAFLEH
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 chain3c3d 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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PDB3c3d Molecular insights into the biosynthesis of the f420 coenzyme.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		P45 W64 L86 K87
Binding residue
(residue number reindexed from 1)		P45 W64 L86 K87
Annotation score1
Binding affinityMOAD: Kd=1.38mM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3c3d, PDBe:3c3d, PDBj:3c3d
PDBsum3c3d
PubMed18252724
UniProtQ8PVT6|COFD_METMA 2-phospho-L-lactate transferase (Gene Name=cofD)

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