MolNFT v1 · #157838 · protein

Lipid II flippase murj, inward open conformation

6NC7: “Lipid II flippase murj, inward open conformation”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.75). MolNFT v1 #157838 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6NC7
Type: protein
Length: 937 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lipid II flippase murj
UniProt: B7IE18
Ligands: SO4
Pockets: 10 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lipid II flippase murj	protein	469	83% helix, 0% strand	B7IE18
B	Lipid II flippase murj	protein	468	83% helix, 0% strand	B7IE18

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A, B
OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 7 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1175	0.75	0.77	94	empty
2	771	0.70	0.76	60	empty
3	345	0.66	0.79	38	empty
4	162	0.54	0.80	24	empty
5	86	0.52	0.84	17	empty

Interfaces

1 interface between chains.

A–B · 1163 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6NC7 · Lipid II flippase MurJ, inward open conformation · the same entry in another collection · chain A against A, TM-score 1.00
B7IE18 · AlphaFold monomer V2.0 prediction for lipid II flippase murj (B7IE18) · a predicted model of the same protein · chain B against A, TM-score 0.94

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 B7IE18
Elsewhere: RCSB PDB 6NC7 · PDBe 6NC7 · UniProt B7IE18

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