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Crystal structure of E. COLI multidrug transporter mdfa in complex with N-dodecyl-N,N-dimethylamine-N-oxide

Analyse Crystal structure of E. COLI multidrug transporter mdfa in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4ZP2
Type: protein
Length: 392 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Multidrug transporter mdfa
UniProt: P0AEY8
Pockets: 1 · best druggability 0.81

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Multidrug transporter mdfa	protein	392	84% helix, 0% strand	P0AEY8

Ligands and binding sites

LDA · Lauryl dimethylamine-N-oxide · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1180	0.81	0.82	71	LDA

Compared structures

4ZP2 · Crystal structure of E. coli multidrug transporter MdfA in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
P0AEY8 · AlphaFold monomer V2.0 prediction for multidrug transporter mdfa (P0AEY8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0AEY8
Elsewhere: RCSB PDB 4ZP2 · PDBe 4ZP2 · UniProt P0AEY8

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