MolNFT v1 · #163906 · protein

Crystal structure of human IRE1 luminal domain Q105C

6SHC · SERINE/THREONINE-protein KINASE/ENDORIBONUCLEASE IRE1: “Crystal structure of human IRE1 luminal domain Q105C”. X-ray diffraction, 6 pockets (best druggability 0.59). MolNFT v1 #163906 on GenesisL1: 3D structure, binding sites and…

PDB: 6SHC
Type: protein
Length: 273 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein KINASE/ENDORIBONUCLEASE IRE1
EC: 2.7.11.1, 3.1.26.-
UniProt: O75460
Pockets: 6 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein KINASE/ENDORIBONUCLEASE IRE1 (EC 2.7.11.1, 3.1.26.-)	protein	273	15% helix, 44% strand	O75460

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	201	0.59	0.81	47	empty
2	204	0.58	0.80	30	empty
3	59	0.57	0.90	25	empty
4	129	0.42	0.75	19	empty
5	50	0.36	0.79	20	empty

Compared structures

6SHC · Crystal structure of human IRE1 luminal domain Q105C · the same entry in another collection · chain A against A, TM-score 1.00
O75460 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein KINASE/ENDORIBONUCLEASE… · a predicted model of the same protein · chain A against A, TM-score 0.91

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 O75460
Elsewhere: RCSB PDB 6SHC · PDBe 6SHC · UniProt O75460

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