MolNFT v1 · #169484 · protein
Crystal structure of IRE1A in complex with G-4100
6XDF: “Crystal structure of IRE1A in complex with G-4100”. X-ray diffraction, 2 ligands (N94, NA). MolNFT v1 #169484 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XDF
- Type
- protein
- Length
- 802 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O75460
- Ligands
- N94, NA
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 402 | — | O75460 |
| B | — | protein | 400 | — | O75460 |
Ligands and binding sites
- N94 · 4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl) sulfonyl]amino}phenyl)quinazoline-8-carboxamide · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6XDF · Crystal structure of IRE1a in complex with G-4100 · 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 B 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 O75460
- Elsewhere: RCSB PDB 6XDF · PDBe 6XDF · UniProt O75460
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