MolNFT v1 · #69775 · protein
Human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-ump
3L0K · Uridine 5'-monophosphate synthase: “Human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-ump”. X-ray diffraction, 1 ligand (6AU), 4 pockets (best druggability 0.75). MolNFT v1 #69775 on GenesisL1: 3D structure…
- PDB
- 3L0K
- Type
- protein
- Length
- 513 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uridine 5'-monophosphate synthase
- EC
- 4.1.1.23
- UniProt
- P11172
- Ligands
- 6AU
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uridine 5'-monophosphate synthase (EC 4.1.1.23) | protein | 257 | 44% helix, 18% strand | P11172 |
| B | Uridine 5'-monophosphate synthase (EC 4.1.1.23) | protein | 256 | 45% helix, 17% strand | P11172 |
Ligands and binding sites
- 6AU · 6-acetyluridine 5'-phosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.75 | 0.94 | 31 | 6AU |
| 2 | 139 | 0.75 | 0.93 | 32 | 6AU |
| 3 | 53 | 0.33 | 0.78 | 18 | empty |
| 4 | 50 | 0.29 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1932 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3L0K · Human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP · 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 P11172
- Elsewhere: RCSB PDB 3L0K · PDBe 3L0K · UniProt P11172
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