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The crystal structures of porcine pathogen ASH57_TBPB

Analyse The crystal structures of porcine pathogen ASH57_TBPB in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3PQU
Type: protein
Length: 1,087 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transferrin binding protein B
UniProt: Q83UA7
Pockets: 15 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transferrin binding protein B	protein	547	3% helix, 49% strand	Q83UA7
B	Transferrin binding protein B	protein	540	4% helix, 48% strand	Q83UA7

Ligands and binding sites

GOL · Glycerol · additive · 5 copies · chains A, B

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

Pockets

15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1007	0.75	0.78	93	GOL
2	159	0.70	0.89	36	empty
3	523	0.66	0.78	61	empty
4	537	0.66	0.77	58	empty
5	177	0.52	0.78	36	empty

Interfaces

1 interface between chains.

A–B · 944 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3PQU · The crystal structures of porcine pathogen AsH57_TbpB · 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 Q83UA7
Elsewhere: RCSB PDB 3PQU · PDBe 3PQU · UniProt Q83UA7

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