MolNFT v1 · #96692 · protein

Crystal structure of mtb dsba (oxidized)

4JR4 · Possible conserved membrane or secreted protein: “Crystal structure of mtb dsba (oxidized)”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.50). MolNFT v1 #96692 on GenesisL1: 3D structure, binding sites and…

PDB: 4JR4
Type: protein
Length: 393 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Possible conserved membrane or secreted protein
UniProt: O33272
Ligands: SO4
Pockets: 3 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Possible conserved membrane or secreted protein	protein	197	46% helix, 12% strand	O33272
B	Possible conserved membrane or secreted protein	protein	196	47% helix, 13% strand	O33272

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

3 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	53	0.50	0.87	19	empty
2	67	0.41	0.80	18	empty
3	63	0.41	0.80	16	empty

Interfaces

1 interface between chains.

A–B · 493 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

4JR4 · Crystal structure of Mtb DsbA (Oxidized) · 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 O33272
Elsewhere: RCSB PDB 4JR4 · PDBe 4JR4 · UniProt O33272

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.