MolNFT v1 · #142912 · protein
Crystal structure of apo atatr
6AJM · N-acetyltransferase: “Crystal structure of apo atatr”. X-ray diffraction, 5 pockets (best druggability 0.75). MolNFT v1 #142912 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6AJM
- Type
- protein
- Length
- 623 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetyltransferase; DUF1778 domain-containing protein
- UniProt
- A0A1V3CQ74, J7QA90
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetyltransferase | protein | 172 | 30% helix, 30% strand | A0A1V3CQ74 |
| B | N-acetyltransferase | protein | 157 | 34% helix, 32% strand | A0A1V3CQ74 |
| C, D | DUF1778 domain-containing protein | protein | 81 | 69% helix, 11% strand | J7QA90 |
| E, F | DUF1778 domain-containing protein | protein | 66 | 73% helix, 8% strand | J7QA90 |
Ligands and binding sites
- PGE · Triethylene glycol · additive · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 706 | 0.75 | 0.81 | 73 | PGE |
| 2 | 620 | 0.74 | 0.81 | 67 | empty |
| 3 | 242 | 0.57 | 0.79 | 33 | empty |
| 4 | 103 | 0.51 | 0.82 | 18 | empty |
| 5 | 94 | 0.34 | 0.73 | 18 | empty |
Interfaces
12 interfaces between chains.
- D–F · 1795 Ų buried · 12 hydrogen bonds · protein-protein
- C–E · 1772 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1550 Ų buried · 20 hydrogen bonds · protein-protein
- B–D · 1476 Ų buried · 15 hydrogen bonds · protein-protein
- B–E · 547 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6AJM · Crystal structure of apo AtaTR · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A1V3CQ74
- Every structure of UniProt J7QA90
- Elsewhere: RCSB PDB 6AJM · PDBe 6AJM · UniProt A0A1V3CQ74 · UniProt J7QA90
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