MolNFT v1 · #84866 · protein

Moorella thermoacetica rsbs S58E

3ZXN · Anti-sigma-factor antagonist (stas) domain protein: “Moorella thermoacetica rsbs S58E”. X-ray diffraction, 1 ligand (SCN), 2 pockets (best druggability 0.48). MolNFT v1 #84866 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3ZXN
Type: protein
Length: 232 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Anti-sigma-factor antagonist (stas) domain protein
UniProt: Q2RIF5
Ligands: SCN
Pockets: 2 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Anti-sigma-factor antagonist (stas) domain protein	protein	117	44% helix, 18% strand	Q2RIF5
B	Anti-sigma-factor antagonist (stas) domain protein	protein	115	49% helix, 17% strand	Q2RIF5

Ligands and binding sites

SCN · Thiocyanate ion · ion · 2 copies · chains 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	153	0.48	0.77	30	empty
2	80	0.48	0.82	16	empty

Interfaces

1 interface between chains.

A–B · 552 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3ZXN · Moorella thermoacetica RsbS S58E · 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 Q2RIF5
Elsewhere: RCSB PDB 3ZXN · PDBe 3ZXN · UniProt Q2RIF5

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