MolNFT v1 · #57059 · protein
Snapshot of the reaction from 6-cn-ump to bmp catalyzed by orotidine monophosphate deacarboxylase from M. thermoautotrophicum
2ZZ1 · Orotidine 5'-phosphate decarboxylase: “Snapshot of the reaction from 6-cn-ump to bmp catalyzed by orotidine monophosphate deacarboxylase from M.…”. X-ray diffraction, 2 ligands (BMP, 6CN), 3 pockets (best druggability 0.82). MolNFT…
- PDB
- 2ZZ1
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Orotidine 5'-phosphate decarboxylase
- EC
- 4.1.1.23
- UniProt
- O26232
- Ligands
- BMP, 6CN
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Orotidine 5'-phosphate decarboxylase (EC 4.1.1.23) | protein | 215 | 53% helix, 19% strand | O26232 |
Ligands and binding sites
- BMP · 6-hydroxyuridine-5'-phosphate · ligand · 2 copies · chains A, B
- 6CN · 6-cyanouridine 5'-phosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
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 | 150 | 0.82 | 0.98 | 45 | BMP, 6CN |
| 2 | 121 | 0.76 | 0.95 | 30 | BMP, 6CN |
| 3 | 54 | 0.36 | 0.79 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1731 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 2ZZ1 · Snapshot of the reaction from 6-CN-UMP to BMP catalyzed by Orotidine Monophosphate… · 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 O26232
- Elsewhere: RCSB PDB 2ZZ1 · PDBe 2ZZ1 · UniProt O26232
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