MolNFT v1 · #2143 · protein

Barnase S85C/H102C disulfide mutant

1BNG: “Barnase S85C/H102C disulfide mutant”. X-ray diffraction, 1 pocket (best druggability 0.51). MolNFT v1 #2143 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BNG
Type: protein
Length: 322 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Barnase
EC: 3.1.27.-
UniProt: P00648
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Barnase (EC 3.1.27.-)	protein	108	22% helix, 22% strand	P00648
B, C	Barnase (EC 3.1.27.-)	protein	107	23% helix, 23% strand	P00648

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	299	0.51	0.74	28	empty

Interfaces

1 interface between chains.

B–C · 206 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

1BNG · Barnase S85C/H102C disulfide mutant · the same entry in another collection · chain A against A, TM-score 1.00
P00648 · AlphaFold monomer V2.0 prediction for ribonuclease (P00648) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P00648
Elsewhere: RCSB PDB 1BNG · PDBe 1BNG · UniProt P00648

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