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Structure of bacillus cereus PATB1

Analyse Structure of bacillus cereus PATB1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5V8E
Type: protein
Length: 610 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bacillus cereus PATB1
UniProt: Q73CU0
Ligands: NA
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Bacillus cereus PATB1	protein	305	33% helix, 25% strand	Q73CU0

Ligands and binding sites

NA · Sodium ion · metal · chains A, B
CIT · Citric acid · additive · 3 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 3 copies · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	675	0.80	0.85	51	CIT, PEG
2	383	0.65	0.79	45	CIT
3	400	0.63	0.78	47	CIT
4	201	0.48	0.76	26	empty
5	134	0.44	0.77	25	empty

Interfaces

1 interface between chains.

A–B · 907 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5V8E · Structure of Bacillus cereus PatB1 · 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 Q73CU0
Elsewhere: RCSB PDB 5V8E · PDBe 5V8E · UniProt Q73CU0

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