MolNFT v1 · #178055 · protein
Crystal structure of ATAT2-ATAR2 complex
7F37 · Gnat family N-acetyltransferase: “Crystal structure of ATAT2-ATAR2 complex”. X-ray diffraction, 8 pockets (best druggability 0.83). MolNFT v1 #178055 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7F37
- Type
- protein
- Length
- 660 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gnat family N-acetyltransferase; DUF1778 domain-containing protein
- UniProt
- A0A7U8MJD7, A0A7U8MLT5
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 6 distinct chains · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Gnat family N-acetyltransferase | protein | 157 | 30% helix, 32% strand | A0A7U8MJD7 |
| A | Gnat family N-acetyltransferase | protein | 161 | 28% helix, 30% strand | A0A7U8MJD7 |
| C | DUF1778 domain-containing protein | protein | 88 | 61% helix, 11% strand | A0A7U8MLT5 |
| D | DUF1778 domain-containing protein | protein | 85 | 62% helix, 7% strand | A0A7U8MLT5 |
| F | DUF1778 domain-containing protein | protein | 84 | 64% helix, 8% strand | A0A7U8MLT5 |
| E | DUF1778 domain-containing protein | protein | 85 | 61% helix, 13% strand | A0A7U8MLT5 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1129 | 0.83 | 0.84 | 93 | empty |
| 2 | 294 | 0.58 | 0.77 | 39 | empty |
| 3 | 76 | 0.57 | 0.88 | 18 | empty |
| 4 | 255 | 0.56 | 0.77 | 35 | empty |
| 5 | 61 | 0.55 | 0.88 | 18 | empty |
Interfaces
15 interfaces between chains.
- A–C · 2248 Ų buried · 31 hydrogen bonds · protein-protein
- B–E · 2141 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 1982 Ų buried · 22 hydrogen bonds · protein-protein
- F–E · 1757 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 1143 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7F37 · Crystal structure of AtaT2-AtaR2 complex · the same entry in another collection · chain B against B, 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 A0A7U8MJD7
- Every structure of UniProt A0A7U8MLT5
- Elsewhere: RCSB PDB 7F37 · PDBe 7F37 · UniProt A0A7U8MJD7 · UniProt A0A7U8MLT5
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