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Structure of MS3494 from mycobacterium smegmatis

Analyse Structure of MS3494 from mycobacterium smegmatis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7REF
Type: protein
Length: 245 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: MS3494
UniProt: A0A0D6IBL0
Ligands: BR
Pockets: 4 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	MS3494	protein	123	67% helix, 0% strand	A0A0D6IBL0
B	MS3494	protein	122	68% helix, 0% strand	A0A0D6IBL0

Ligands and binding sites

BR · Bromide ion · ion · 11 copies · chains A, B

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

Pockets

4 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	146	0.54	0.80	22	BR
2	172	0.52	0.78	19	BR
3	145	0.49	0.78	19	BR
4	76	0.37	0.77	13	BR

Interfaces

1 interface between chains.

A–B · 505 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

7REF · Structure of MS3494 from Mycobacterium smegmatis · 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 A0A0D6IBL0
Elsewhere: RCSB PDB 7REF · PDBe 7REF · UniProt A0A0D6IBL0

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