MolNFT v1 · #101023 · protein
Crystal structure of methanocaldococcus jannaschii udp-glcnac 2- epimerase in complex with udp-glcnac and udp
4NES · Udp-N-acetylglucosamine 2-epimerase: “Crystal structure of methanocaldococcus jannaschii udp-glcnac 2- epimerase in complex with udp-glcnac and udp”. X-ray diffraction, 2 ligands (UD1, UDP), 1 pocket (best druggability 0.80). MolNFT…
- PDB
- 4NES
- Type
- protein
- Length
- 362 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine 2-epimerase
- EC
- 5.1.3.14
- UniProt
- Q58899
- Ligands
- UD1, UDP
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylglucosamine 2-epimerase (EC 5.1.3.14) | protein | 362 | 51% helix, 15% strand | Q58899 |
Ligands and binding sites
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · chains A
- UDP · Uridine-5'-diphosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 464 | 0.80 | 0.88 | 56 | UD1, UDP |
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4NES · Crystal structure of Methanocaldococcus jannaschii UDP-GlcNAc 2-epimerase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q58899 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine 2-epimerase (Q58899) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q58899
- Elsewhere: RCSB PDB 4NES · PDBe 4NES · UniProt Q58899
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