MolNFT v1 · #179802 · protein

Cryo-EM structures of adeb from acinetobacter baumannii: adeb-et-III

7KGI · Efflux pump membrane transporter: “Cryo-EM structures of adeb from acinetobacter baumannii: adeb-et-III”. Electron microscopy, 2 ligands (ET, PTY), 20 pockets (best druggability 0.87). MolNFT v1 #179802 on GenesisL1: 3D structure…

PDB: 7KGI
Type: protein
Length: 3,060 residues
Chains: 3
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Efflux pump membrane transporter
UniProt: Q2FD70
Ligands: ET, PTY
Pockets: 20 · best druggability 0.87

Structure

electron microscopy · 1 distinct chain · 55% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Efflux pump membrane transporter	protein	1020	55% helix, 17% strand	Q2FD70

Ligands and binding sites

ET · Ethidium · ligand · 3 copies · chains A, C
PTY · Phosphatidylethanolamine · ligand · 3 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	860	0.87	0.89	114	empty
2	955	0.84	0.85	112	empty
3	1144	0.83	0.84	115	empty
4	639	0.82	0.87	81	empty
5	348	0.80	0.90	39	empty

Interfaces

3 interfaces between chains.

A–C · 3844 Å² buried · 33 hydrogen bonds · protein-protein
B–C · 3314 Å² buried · 33 hydrogen bonds · protein-protein
A–B · 3151 Å² buried · 32 hydrogen bonds · protein-protein

Compared structures

7KGI · Cryo-EM Structures of AdeB from Acinetobacter baumannii: AdeB-ET-III · 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 Q2FD70
Elsewhere: RCSB PDB 7KGI · PDBe 7KGI · UniProt Q2FD70

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