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Crystal structure of BT3781 protein from bacteroides thetaiotaomicron, northeast structural genomics target BTR58

Analyse Crystal structure of BT3781 protein from bacteroides thetaiotaomicron… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2P0V
Type: protein
Length: 886 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein BT3781
UniProt: Q8A185
Pockets: 8 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hypothetical protein BT3781	protein	443	47% helix, 11% strand	Q8A185

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	172	0.82	0.97	46	empty
2	148	0.52	0.80	23	empty
3	148	0.51	0.80	25	empty
4	233	0.50	0.75	35	empty
5	115	0.43	0.77	20	empty

Interfaces

1 interface between chains.

A–B · 1568 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 modified (engineered).

Compared structures

2P0V · Crystal structure of BT3781 protein from Bacteroides thetaiotaomicron, Northeast… · 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 Q8A185
Elsewhere: RCSB PDB 2P0V · PDBe 2P0V · UniProt Q8A185

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