MolNFT v1 · #173619 · protein

Acrb in cycloalkane amphipol

7B5P · Efflux pump membrane transporter: “Acrb in cycloalkane amphipol”. Electron microscopy, 20 pockets (best druggability 0.86). MolNFT v1 #173619 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7B5P
Type: protein
Length: 3,013 residues
Chains: 3
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Efflux pump membrane transporter
UniProt: E2QH56
Pockets: 20 · best druggability 0.86

Structure

electron microscopy · 3 distinct chains · 46% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Efflux pump membrane transporter	protein	1014	47% helix, 14% strand	E2QH56
C	Efflux pump membrane transporter	protein	1014	46% helix, 17% strand	E2QH56
A	Efflux pump membrane transporter	protein	985	46% helix, 16% strand	E2QH56

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1093	0.86	0.87	122	empty
2	921	0.84	0.86	101	empty
3	993	0.82	0.83	100	empty
4	767	0.81	0.85	108	empty
5	809	0.79	0.82	101	empty

Interfaces

3 interfaces between chains.

C–A · 3270 Å² buried · 25 hydrogen bonds · protein-protein
B–A · 3258 Å² buried · 24 hydrogen bonds · protein-protein
B–C · 2500 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

7B5P · AcrB in cycloalkane amphipol · the same entry in another collection · chain B against B, 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 E2QH56
Elsewhere: RCSB PDB 7B5P · PDBe 7B5P · UniProt E2QH56

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