Research workbench
Crystal structure of the ATPase domain of TAP1 with ATP (D645N, D651A mutant)
Analyse Crystal structure of the ATPase domain of TAP1 with ATP (D645N, D651A mutant) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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