MolNFT v1 · #69436 · protein
Mura binary complex with udp-N-acetylglucosamine
3KQJ · Udp-N-acetylglucosamine 1-carboxyvinyltransferase: “Mura binary complex with udp-N-acetylglucosamine”. X-ray diffraction, 2 ligands (UD1, PO4), 2 pockets (best druggability 0.79). MolNFT v1 #69436 on GenesisL1: 3D structure, binding…
- PDB
- 3KQJ
- Type
- protein
- Length
- 419 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine 1-carboxyvinyltransferase
- EC
- 2.5.1.7
- UniProt
- P0A749
- Ligands
- UD1, PO4
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylglucosamine 1-carboxyvinyltransferase (EC 2.5.1.7) | protein | 419 | 35% helix, 27% strand | P0A749 |
Ligands and binding sites
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 391 | 0.79 | 0.88 | 49 | UD1, PO4 |
| 2 | 66 | 0.36 | 0.77 | 15 | empty |
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 3KQJ · MurA binary complex with UDP-N-acetylglucosamine · the same entry in another collection · chain A against A, TM-score 1.00
- P0A749 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine 1-carboxyvinyltransferase… · a predicted model of the same protein · 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 P0A749
- Elsewhere: RCSB PDB 3KQJ · PDBe 3KQJ · UniProt P0A749
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