MolNFT v1 · #182039 · protein

E. COLI msba in complex with G247

7MEW · ATP-dependent lipid a-core flippase: “E. COLI msba in complex with G247”. Electron microscopy, 1 ligand (Z5Y), 17 pockets (best druggability 0.84). MolNFT v1 #182039 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7MEW
Type: protein
Length: 1,144 residues
Chains: 2
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP-dependent lipid a-core flippase
EC: 7.5.2.6
UniProt: A0A140NBS6
Ligands: Z5Y
Pockets: 17 · best druggability 0.84

Structure

electron microscopy · 1 distinct chain · 63% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	ATP-dependent lipid a-core flippase (EC 7.5.2.6)	protein	572	63% helix, 6% strand	A0A140NBS6

Ligands and binding sites

Z5Y · (2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid · ligand · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

17 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	964	0.84	0.85	78	empty
2	664	0.78	0.83	90	empty
3	416	0.75	0.84	74	empty
4	485	0.74	0.83	76	empty
5	419	0.74	0.84	63	empty

Interfaces

1 interface between chains.

A–B · 4159 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

7MEW · E. coli MsbA in complex with G247 · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt A0A140NBS6
Elsewhere: RCSB PDB 7MEW · PDBe 7MEW · UniProt A0A140NBS6

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