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Crystal structure of sciw from salmonella typhimurium

Analyse Crystal structure of sciw from salmonella typhimurium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6XRB
Type: protein
Length: 296 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sciw
UniProt: A0A0H3NHS6
Pockets: 6 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 20% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sciw	protein	150	21% helix, 43% strand	A0A0H3NHS6
B	Sciw	protein	146	19% helix, 50% strand	A0A0H3NHS6

Ligands and binding sites

PGE · Triethylene glycol · additive · chains A

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	246	0.61	0.80	20	empty
2	108	0.51	0.82	23	empty
3	142	0.50	0.79	22	empty
4	61	0.44	0.83	17	empty
5	118	0.38	0.74	21	PGE

Interfaces

1 interface between chains.

A–B · 1903 Å² buried · 36 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (artifact).

Compared structures

6XRB · Crystal structure of SciW from Salmonella typhimurium · 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 A0A0H3NHS6
Elsewhere: RCSB PDB 6XRB · PDBe 6XRB · UniProt A0A0H3NHS6

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