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Crystal structure of bctspo, type 2 at 1.7 ångström with dmso

Analyse Crystal structure of bctspo, type 2 at 1.7 ångström with dmso in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4RYR
Type: protein
Length: 151 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Integral membrane protein
UniProt: Q81BL7
Ligands: MPG
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Integral membrane protein	protein	151	79% helix, 0% strand	Q81BL7

Ligands and binding sites

MPG · [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate · ligand · 9 copies · chains A
DMS · Dimethyl sulfoxide · additive · 4 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	273	0.70	0.85	38	DMS
2	53	0.28	0.74	13	empty

Compared structures

4RYR · Crystal structure of BcTSPO, type 2 at 1.7 Angstrom with DMSO · the same entry in another collection · chain A against A, TM-score 1.00
Q81BL7 · AlphaFold monomer V2.0 prediction for tryptophan-rich protein tspo (Q81BL7) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q81BL7
Elsewhere: RCSB PDB 4RYR · PDBe 4RYR · UniProt Q81BL7

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