Structure of PDB 6mna Chain A Binding Site BS01

Receptor Information

>6mna Chain A (length=173) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GPNYTIADYIRDNHIQETPVHHGDPGSPTIDLPVPDDWRLLPESSRAPYG
GIVYTQPADPNDPPTIVAILSKLTGDIDPAKVLQFAPGELKNLPGFQGSG
DGSAATLGGFSAWQLGGSYSKNGKLRTVAQKTVVIPSQGAVFVLQLNADA
LDDETMTLMDAANVIDEQTTITP

Ligand information

Ligand ID

U2D

InChI

InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1

InChIKey

WVGXAJWVJXKEID-JZYAIQKZSA-N

SMILES

Software	SMILES
CACTVS 3.385	CCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.385	CCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01	C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O
OpenEye OEToolkits 2.0.7	CCCCCCCCCC(=O)OCC1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 2.0.7	CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O

Formula

C16 H30 O7

Name

6-O-decanoyl-alpha-D-glucopyranose

ChEMBL

DrugBank

ZINC

PDB chain

6mna Chain B Residue 1 [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	6mna Structural and functional evidence that lipoprotein LpqN supports cell envelope biogenesis inMycobacterium tuberculosis.
Resolution	1.75 Å
Binding residue (original residue number in PDB)	G153 S154 Q169 G171 G172 T182 A184 M214 A217
Binding residue (residue number reindexed from 1)	G98 S99 Q114 G116 G117 T127 A129 M159 A162
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6mna, PDBe:6mna, PDBj:6mna
PDBsum	6mna
PubMed	31471317
UniProt	O53780\|LPQN_MYCTU Lipoprotein LpqN (Gene Name=lpqN)

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