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MG2+/ATP-bound structure of the full-length wzmwzt O antigen ABC transporter in lipid nanodiscs

Analyse MG2+/ATP-bound structure of the full-length wzmwzt O antigen ABC transporter in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7K2T
Type: protein
Length: 1,249 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ABC transporter; Transport permease protein
UniProt: O67181, O67182
Ligands: ATP, MG
Pockets: 14 · best druggability 0.87

Structure

electron microscopy · 4 distinct chains · 45% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ABC transporter	protein	374	27% helix, 34% strand	O67181
B	Transport permease protein	protein	248	78% helix, 0% strand	O67182
C	ABC transporter	protein	372	24% helix, 35% strand	O67181
D	Transport permease protein	protein	255	68% helix, 0% strand	O67182

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B, C, D
MG · Magnesium ion · metal · 2 copies · chains A, C

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

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1147	0.87	0.88	136	ATP, MG
2	1097	0.86	0.86	113	empty
3	140	0.66	0.87	22	empty
4	93	0.57	0.86	19	empty
5	203	0.53	0.76	19	empty

Interfaces

6 interfaces between chains.

A–C · 3647 Å² buried · 46 hydrogen bonds · protein-protein
B–D · 1432 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 1354 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 1136 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 293 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7K2T · Mg2+/ATP-bound structure of the full-length WzmWzt O antigen ABC transporter in lipid… · the same entry in another collection · chain B against B, 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 O67181
Every structure of UniProt O67182
Elsewhere: RCSB PDB 7K2T · PDBe 7K2T · UniProt O67181 · UniProt O67182

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