MolNFT v1 · #171491 · protein

Structure of the mate family multidrug resistance transporter AQ_128 from aquifex aeolicus in the outward-facing state

6Z70 · AQ128: “Structure of the mate family multidrug resistance transporter AQ_128 from aquifex aeolicus in the…”. X-ray diffraction, 8 pockets (best druggability 0.88). MolNFT v1 #171491 on GenesisL1: 3D structure, binding sites and…

PDB: 6Z70
Type: protein
Length: 888 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AQ128
UniProt: O66528
Pockets: 8 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 84% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	AQ128	protein	444	84% helix, 0% strand	O66528

Ligands and binding sites

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

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1087	0.88	0.89	92	OLC
2	987	0.88	0.89	85	OLC
3	997	0.88	0.89	83	OLC
4	80	0.37	0.76	17	empty
5	67	0.34	0.76	12	empty

Interfaces

1 interface between chains.

A–B · 1438 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6Z70 · Structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex… · 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 O66528
Elsewhere: RCSB PDB 6Z70 · PDBe 6Z70 · UniProt O66528

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