MolNFT v1 · #31710 · protein

Structure of the dsba mutant (P31G-C33A)

2B3S · THIOL:DISULFIDE interchange protein dsba: “Structure of the dsba mutant (P31G-C33A)”. X-ray diffraction, 6 pockets (best druggability 0.76). MolNFT v1 #31710 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2B3S
Type: protein
Length: 374 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: THIOL:DISULFIDE interchange protein dsba
UniProt: P0AEG4
Pockets: 6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	THIOL:DISULFIDE interchange protein dsba	protein	187	52% helix, 12% strand	P0AEG4

Pockets

6 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	103	0.76	0.97	22	empty
2	82	0.75	0.97	29	empty
3	84	0.72	0.96	22	empty
4	132	0.49	0.79	25	empty
5	93	0.48	0.81	19	empty

Interfaces

1 interface between chains.

A–B · 1615 Å² buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

2B3S · structure of the DSBA mutant (P31G-C33A) · the same entry in another collection · chain A against A, TM-score 1.00
P0AEG4 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsba (P0AEG4) · a predicted model of the same protein · chain B against A, TM-score 0.95

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 P0AEG4
Elsewhere: RCSB PDB 2B3S · PDBe 2B3S · UniProt P0AEG4

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