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Crystal structure of an immune receptor

Analyse Crystal structure of an immune receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UN9
Type: protein
Length: 867 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nlr family member X1
UniProt: Q86UT6
Ligands: PT
Pockets: 8 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Nlr family member X1	protein	294	54% helix, 10% strand	Q86UT6
C	Nlr family member X1	protein	279	49% helix, 10% strand	Q86UT6

Ligands and binding sites

PT · Platinum (II) ion · metal · 4 copies · chains A, B, C

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	802	0.75	0.79	73	empty
2	263	0.71	0.86	38	empty
3	217	0.69	0.87	36	empty
4	693	0.66	0.75	93	empty
5	234	0.60	0.81	46	empty

Interfaces

3 interfaces between chains.

A–B · 1211 Å² buried · 12 hydrogen bonds · protein-protein
A–C · 1169 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 955 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3UN9 · Crystal structure of an immune receptor · the same entry in another collection · chain A against A, TM-score 1.00
Q86UT6 · AlphaFold monomer V2.0 prediction for nlr family member X1 (Q86UT6) · a predicted model of the same protein · chain C against A, TM-score 0.79

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 Q86UT6
Elsewhere: RCSB PDB 3UN9 · PDBe 3UN9 · UniProt Q86UT6

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