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Crystal structure of ancestral thioredoxin relative to last bacteria common ancestor (lbca) from the precambrian period

Analyse Crystal structure of ancestral thioredoxin relative to last bacteria common… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4BA7
Type: protein
Length: 210 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lbca thioredoxin
EC: 4.7.1.4
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lbca thioredoxin (EC 4.7.1.4)	protein	105	36% helix, 27% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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	341	0.66	0.81	40	EDO
2	184	0.46	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 666 Å² buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4BA7 · Crystal Structure of Ancestral Thioredoxin Relative to Last Bacteria Common Ancestor… · 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 4BA7 · PDBe 4BA7

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