MolNFT v1 · #40597 · protein
Crystal structure of the ATPase domain of TAP1 with ATP (D645N mutant)
2IXE · Antigen peptide transporter 1: “Crystal structure of the ATPase domain of TAP1 with ATP (D645N mutant)”. X-ray diffraction, 3 ligands (ATP, MG, PO4), 4 pockets (best druggability 0.73). MolNFT v1 #40597 on GenesisL1: 3D structure…
- PDB
- 2IXE
- Type
- protein
- Length
- 499 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antigen peptide transporter 1
- UniProt
- P36370
- Ligands
- ATP, MG, PO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antigen peptide transporter 1 | protein | 251 | 36% helix, 24% strand | P36370 |
| D | Antigen peptide transporter 1 | protein | 248 | 38% helix, 24% strand | P36370 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, D
- MG · Magnesium ion · metal · 2 copies · chains A, D
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 897 | 0.73 | 0.78 | 80 | ATP, MG |
| 2 | 626 | 0.67 | 0.76 | 74 | ATP, MG |
| 3 | 304 | 0.59 | 0.78 | 39 | empty |
| 4 | 52 | 0.28 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–D · 941 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2IXE · Crystal structure of the ATPase domain of TAP1 with ATP (D645N mutant) · the same entry in another collection · chain A against A, TM-score 1.00
- P36370 · AlphaFold monomer V2.0 prediction for antigen peptide transporter 1 (P36370) · a predicted model of the same protein · chain D against A, TM-score 0.98
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 P36370
- Elsewhere: RCSB PDB 2IXE · PDBe 2IXE · UniProt P36370
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