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Crystal structure of an inward-open apo state of the eukaryotic ABC multidrug transporter CMABCB1

Analyse Crystal structure of an inward-open apo state of the eukaryotic ABC multidrug… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6A6N
Type: protein
Length: 587 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP-binding cassette, sub-family B, member 1
UniProt: M1VAN7
Pockets: 7 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP-binding cassette, sub-family B, member 1	protein	587	63% helix, 10% strand	M1VAN7

Ligands and binding sites

DMU · Decyl-beta-D-maltopyranoside · additive · 4 copies · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

7 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	150	0.51	0.78	23	empty
2	57	0.51	0.87	22	empty
3	80	0.50	0.83	15	empty
4	152	0.47	0.77	28	empty
5	196	0.46	0.74	21	empty

Compared structures

6A6N · Crystal structure of an inward-open apo state of the eukaryotic ABC multidrug transporter… · 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 M1VAN7
Elsewhere: RCSB PDB 6A6N · PDBe 6A6N · UniProt M1VAN7

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