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Receptor Information

>6uw1 Chain B (length=319) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKITVLVGGVGGARFLLGVQNLLGLGSFADGPSKHELTAVVNIGDDAWMH
GVRICPDLDTCMYTLGGGIDPDRGWGHRNETWNAKEELAAYGVQPDWFGL
GDRDLATHLVRSQMLRAGYPLSQVTEALCKRWQPGARLLPASDERSETHV
VITDPTDGERRAIHFQEWWVRYRAKVPTHSFAYVGADQATAGPGVVEAIG
DADIVLLAPSNPVVSIGPILQIPGIRGALRSTSAPVIGYSPIIAADECLK
VIGVESTSQAVGEFFGARAGTGLLDGWLVHEGDHAQIEGVKVKAVPLLMT
DPEATAAMVRAGLDLAGVS

Ligand ID

FO1

InChI

InChI=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

InChIKey

AUEILLWDYUBWCM-XQQFMLRXSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
ACDLabs 10.04	O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO
CACTVS 3.341	OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13
CACTVS 3.341	OC[C@@H](O)[C@@H](O)[C@@H](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13
OpenEye OEToolkits 1.5.0	c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)CC(C(C(CO)O)O)O

Formula

C16 H17 N3 O7

Name

1-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

PDB chain

6uw1 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6uw1 Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
Resolution	2.205 Å
Binding residue (original residue number in PDB)	I54 P56 W75 F98 G99 D104 Q166 V170
Binding residue (residue number reindexed from 1)	I54 P56 W75 F98 G99 D104 Q166 V170
Annotation score	1

Enzyme Commision number

2.7.8.28: 2-phospho-L-lactate transferase.

	Molecular Function
GO:0000287	magnesium ion binding
GO:0016740	transferase activity
GO:0043743	LPPG:FO 2-phospho-L-lactate transferase activity

PDB	RCSB:6uw1, PDBe:6uw1, PDBj:6uw1
PDBsum	6uw1
PubMed	32430409
UniProt	A0QTG2\|FBIA_MYCS2 Phosphoenolpyruvate transferase (Gene Name=fbiA)

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Structure of PDB 6uw1 Chain B Binding Site BS01