MolNFT v1 · #69757 · protein
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
3L02 · N-acetylornithine carbamoyltransferase: “Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and…”. X-ray diffraction, 3 ligands (SN0, CP, SO4), 3 pockets (best druggability…
- PDB
- 3L02
- Type
- protein
- Length
- 332 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetylornithine carbamoyltransferase
- EC
- 2.1.3.9
- UniProt
- Q8P8J2
- Ligands
- SN0, CP, SO4
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetylornithine carbamoyltransferase (EC 2.1.3.9) | protein | 332 | 44% helix, 16% strand | Q8P8J2 |
Ligands and binding sites
- SN0 · N-(3-carboxypropanoyl)-L-norvaline · ligand · chains A
- CP · Phosphoric acid mono(formamide)ester · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.53 | 0.81 | 24 | SN0, CP |
| 2 | 167 | 0.52 | 0.79 | 22 | empty |
| 3 | 52 | 0.36 | 0.78 | 12 | empty |
Modifications
Observed in the structure: 1 modified (carboxylation).
Compared structures
- 3L02 · Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8P8J2 · AlphaFold monomer V2.0 prediction for N-acetylornithine carbamoyltransferase (Q8P8J2) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8P8J2
- Elsewhere: RCSB PDB 3L02 · PDBe 3L02 · UniProt Q8P8J2
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