MolNFT v1 · #96275 · protein
N79R mutant of N-acetylornithine aminotransferase
4JF0 · ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE aminotransferase: “N79R mutant of N-acetylornithine aminotransferase”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.88). MolNFT v1 #96275 on GenesisL1: 3D structure…
- PDB
- 4JF0
- Type
- protein
- Length
- 762 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE aminotransferase
- EC
- 2.6.1.11, 2.6.1.17
- UniProt
- P40732
- Ligands
- NA
- Pockets
- 2 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE aminotransferase (EC 2.6.1.11, 2.6.1.17) | protein | 379 | 43% helix, 20% strand | P40732 |
| B | ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE aminotransferase (EC 2.6.1.11, 2.6.1.17) | protein | 383 | 42% helix, 20% strand | P40732 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1183 | 0.88 | 0.89 | 130 | ACT, EDO |
| 2 | 123 | 0.65 | 0.88 | 27 | EDO, ACT |
Interfaces
1 interface between chains.
- A–B · 2898 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
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 P40732
- Elsewhere: RCSB PDB 4JF0 · PDBe 4JF0 · UniProt P40732
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