MolNFT v1 · #97267 · protein
Crystal structure of the ATPase domain of TAP1 with ATP (D645N, D651A mutant)
4K8O · Antigen peptide transporter 1: “Crystal structure of the ATPase domain of TAP1 with ATP (D645N, D651A mutant)”. X-ray diffraction, 3 ligands (ATP, NI, MG), 1 pocket (best druggability 0.55). MolNFT v1 #97267 on GenesisL1: 3D…
- PDB
- 4K8O
- Type
- protein
- Length
- 254 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antigen peptide transporter 1
- UniProt
- P36370
- Ligands
- ATP, NI, MG
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antigen peptide transporter 1 | protein | 254 | 33% helix, 24% strand | P36370 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 239 | 0.55 | 0.77 | 31 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4K8O · Crystal structure of the ATPase domain of TAP1 with ATP (D645N, D651A 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 A 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 4K8O · PDBe 4K8O · UniProt P36370
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