MolNFT v1 · #125204 · protein

Prtd T1SS ABC transporter

5L22 · ABC transporter (hlyb subfamily): “Prtd T1SS ABC transporter”. X-ray diffraction, 2 ligands (ADP, MG), 17 pockets (best druggability 0.90). MolNFT v1 #125204 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5L22
Type: protein
Length: 1,079 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ABC transporter (hlyb subfamily)
UniProt: O67184
Ligands: ADP, MG
Pockets: 17 · best druggability 0.90

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	ABC transporter (hlyb subfamily)	protein	540	64% helix, 11% strand	O67184
A	ABC transporter (hlyb subfamily)	protein	539	63% helix, 11% strand	O67184

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains B, A
MG · Magnesium ion · metal · 2 copies · chains B, A

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

Pockets

17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	953	0.90	0.92	120	empty
2	1128	0.87	0.88	113	ADP, MG
3	307	0.63	0.80	41	empty
4	80	0.61	0.89	19	empty
5	262	0.59	0.78	26	empty

Interfaces

1 interface between chains.

B–A · 6971 Å² buried · 65 hydrogen bonds · protein-protein

Compared structures

5L22 · PrtD T1SS ABC transporter · 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 O67184
Elsewhere: RCSB PDB 5L22 · PDBe 5L22 · UniProt O67184

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