MolNFT v1 · #36002 · protein

Crystal structure of Q8ZP25 from salmonella typhimurium LT2. nesg target STR70

2ES7 · Putative thiol-disulfide isomerase and thioredoxin: “Crystal structure of Q8ZP25 from salmonella typhimurium LT2. nesg target STR70”. X-ray diffraction, 5 pockets (best druggability 0.46). MolNFT v1 #36002 on GenesisL1: 3D…

PDB: 2ES7
Type: protein
Length: 412 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative thiol-disulfide isomerase and thioredoxin
Pockets: 5 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Putative thiol-disulfide isomerase and thioredoxin	protein	103	38% helix, 18% strand	—

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	177	0.46	0.75	23	empty
2	165	0.44	0.75	29	empty
3	52	0.44	0.84	15	empty
4	64	0.44	0.82	23	empty
5	93	0.37	0.76	18	empty

Interfaces

3 interfaces between chains.

B–C · 342 Å² buried · 8 hydrogen bonds · protein-protein
A–D · 303 Å² buried · 5 hydrogen bonds · protein-protein
C–D · 299 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

2ES7 · Crystal structure of Q8ZP25 from Salmonella typhimurium LT2. NESG TARGET STR70 · 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 2ES7 · PDBe 2ES7

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