MolNFT v1 · #101485 · protein

Crystal structure of the immunity protein

4NSR: “Crystal structure of the immunity protein”. X-ray diffraction, 9 pockets (best druggability 0.80). MolNFT v1 #101485 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4NSR
Type: protein
Length: 542 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Immunity protein
UniProt: Q9KN41
Pockets: 9 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Immunity protein	protein	90	81% helix, 0% strand	Q9KN41
C	Immunity protein	protein	93	77% helix, 0% strand	Q9KN41
A, E, F	Immunity protein	protein	89	81% helix, 0% strand	Q9KN41
D	Immunity protein	protein	92	78% helix, 0% strand	Q9KN41

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	800	0.80	0.83	73	empty
2	980	0.75	0.78	72	empty
3	187	0.56	0.80	20	empty
4	160	0.53	0.79	20	empty
5	156	0.52	0.79	20	empty

Interfaces

6 interfaces between chains.

B–A · 1194 Å² buried · 14 hydrogen bonds · protein-protein
E–F · 1142 Å² buried · 14 hydrogen bonds · protein-protein
C–D · 1141 Å² buried · 14 hydrogen bonds · protein-protein
E–D · 778 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 723 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

4NSR · Crystal structure of the Immunity protein · the same entry in another collection · chain D against D, TM-score 1.00
Q9KN41 · AlphaFold monomer V2.0 prediction for antitoxin protein TSIV3 (Q9KN41) · a predicted model of the same protein · chain B against A, TM-score 0.96

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 Q9KN41
Elsewhere: RCSB PDB 4NSR · PDBe 4NSR · UniProt Q9KN41

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