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Crystal structure of the putative oxidoreductase from salmonella typhimurium LT2

Analyse Crystal structure of the putative oxidoreductase from salmonella typhimurium LT2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2CSG
Type: protein
Length: 417 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative cytoplasmic protein
Ligands: ICT, FE
Pockets: 5 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative cytoplasmic protein	protein	417	38% helix, 12% strand	—

Ligands and binding sites

ICT · Isocitric acid · ligand · chains A
FE · Fe (III) ion · metal · chains A
SIN · Succinic acid · additive · chains A
CIT · Citric acid · additive · chains A

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

Pockets

5 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	165	0.81	0.97	30	ICT, SIN
2	99	0.60	0.87	19	empty
3	55	0.50	0.87	20	empty
4	63	0.35	0.77	16	empty
5	85	0.34	0.74	15	empty

Compared structures

2CSG · Crystal Structure of the Putative Oxidoreductase from Salmonella typhimurium LT2 · 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
Elsewhere: RCSB PDB 2CSG · PDBe 2CSG

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