MolNFT v1 · #70348 · protein
Crystal structure of the mutant V182A.I199A.V201A of orotidine 5'- monophosphate decarboxylase from methanobacterium thermoautotrophicum complexed with inhibitor bmp
3LHV · Orotidine 5'-phosphate decarboxylase: “Crystal structure of the mutant V182A.I199A.V201A of orotidine 5'- monophosphate decarboxylase from…”. X-ray diffraction, 1 ligand (BMQ), 7 pockets (best druggability 0.78). MolNFT v1 #70348 on…
- PDB
- 3LHV
- Type
- protein
- Length
- 870 residues
- Chains
- 4
- 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
- BMQ
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Orotidine 5'-phosphate decarboxylase (EC 4.1.1.23) | protein | 218 | 49% helix, 19% strand | O26232 |
| B, D | Orotidine 5'-phosphate decarboxylase (EC 4.1.1.23) | protein | 217 | 49% helix, 19% strand | O26232 |
Ligands and binding sites
- BMQ · 1-(5'-phospho-beta-D-ribofuranosyl)barbituric acid · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.78 | 0.97 | 32 | BMQ |
| 2 | 133 | 0.78 | 0.96 | 36 | BMQ |
| 3 | 139 | 0.77 | 0.95 | 30 | BMQ |
| 4 | 130 | 0.75 | 0.94 | 32 | BMQ |
| 5 | 560 | 0.69 | 0.79 | 84 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1764 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1756 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 831 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3LHV · Crystal structure of the mutant V182A.I199A.V201A of orotidine 5'-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 3LHV · PDBe 3LHV · UniProt O26232
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