MolNFT v1 · #152643 · protein

Cryo-EM structure of multidrug efflux pump mexab-oprm (60 degree state)

6IOL · Multidrug resistance protein mexa: “Cryo-EM structure of multidrug efflux pump mexab-oprm (60 degree state)”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #152643 on GenesisL1: 3D structure, binding sites and…

PDB: 6IOL
Type: protein
Length: 6,450 residues
Chains: 12
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multidrug resistance protein mexa; Outer membrane protein oprm; Multidrug resistance…
UniProt: P52477, Q51487, P52002
Pockets: 20 · best druggability 0.88

Structure

electron microscopy · 7 distinct chains · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
I, J	Multidrug resistance protein mexa	protein	333	21% helix, 34% strand	P52477
K, M	Multidrug resistance protein mexa	protein	332	19% helix, 36% strand	P52477
L	Multidrug resistance protein mexa	protein	336	19% helix, 32% strand	P52477
N	Multidrug resistance protein mexa	protein	335	19% helix, 36% strand	P52477
A, B, C	Outer membrane protein oprm	protein	455	59% helix, 10% strand	Q51487
F	Multidrug resistance protein mexb	protein	1024	50% helix, 19% strand	P52002
G, E	Multidrug resistance protein mexb	protein	1030	49% helix, 16% strand	P52002

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	852	0.88	0.91	111	empty
2	673	0.87	0.91	87	empty
3	573	0.86	0.92	55	empty
4	478	0.84	0.91	52	empty
5	901	0.81	0.83	117	empty

Interfaces

33 interfaces between chains.

F–G · 3755 Å² buried · 41 hydrogen bonds · protein-protein
F–E · 3734 Å² buried · 33 hydrogen bonds · protein-protein
G–E · 3355 Å² buried · 34 hydrogen bonds · protein-protein
A–C · 2670 Å² buried · 32 hydrogen bonds · protein-protein
B–C · 2649 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

6IOL · Cryo-EM structure of multidrug efflux pump MexAB-OprM (60 degree state) · the same entry in another collection · chain E against E, 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 P52477
Every structure of UniProt Q51487
Every structure of UniProt P52002
Elsewhere: RCSB PDB 6IOL · PDBe 6IOL · UniProt P52477 · UniProt Q51487 · UniProt P52002

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