MolNFT v1 · #157839 · protein

Lipid II flippase murj, inward occluded conformation

6NC8: “Lipid II flippase murj, inward occluded conformation”. X-ray diffraction, 1 ligand (NA), 4 pockets (best druggability 0.83). MolNFT v1 #157839 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6NC8
Type: protein
Length: 467 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lipid II flippase murj
UniProt: B7IE18
Ligands: NA
Pockets: 4 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 85% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Lipid II flippase murj	protein	467	85% helix, 0% strand	B7IE18

Ligands and binding sites

NA · Sodium ion · metal · chains A
OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 6 copies · chains A
1PE · Pentaethylene glycol · additive · 3 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1037	0.83	0.84	79	empty
2	320	0.62	0.78	25	empty
3	108	0.42	0.75	19	empty
4	51	0.31	0.76	14	empty

Compared structures

6NC8 · Lipid II flippase MurJ, inward occluded 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 A against A, TM-score 0.91

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 6NC8 · PDBe 6NC8 · UniProt B7IE18

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