MolNFT v1 · #100680 · protein

Crystal structure of ABC transporter solute binding protein BB0719 from bordetella bronchiseptica RB50, target efi-510049

4N4U · Putative ABC transporter periplasmic solute-binding protein: “Crystal structure of ABC transporter solute binding protein BB0719 from bordetella bronchiseptica RB50…”. X-ray diffraction, 6 pockets (best druggability 0.63). MolNFT v1…

PDB: 4N4U
Type: protein
Length: 606 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative ABC transporter periplasmic solute-binding protein
UniProt: Q7WPG5
Pockets: 6 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 54% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative ABC transporter periplasmic solute-binding protein	protein	304	54% helix, 21% strand	Q7WPG5
B	Putative ABC transporter periplasmic solute-binding protein	protein	302	53% helix, 19% strand	Q7WPG5

Ligands and binding sites

GOL · Glycerol · additive · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	449	0.63	0.76	49	empty
2	509	0.61	0.75	54	empty
3	91	0.38	0.76	20	empty
4	78	0.31	0.73	19	empty
5	67	0.29	0.73	18	empty

Interfaces

1 interface between chains.

A–B · 621 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4N4U · Crystal structure of ABC transporter solute binding protein BB0719 from Bordetella… · 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 Q7WPG5
Elsewhere: RCSB PDB 4N4U · PDBe 4N4U · UniProt Q7WPG5

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