MolNFT v1 · #134398 · protein
Crystal structure of C. jejuni pgld in complex with 5-methyl-4- (methylamino)-2-PHENETHYLTHIENO[2,3-D]PYRIMIDINE-6-carboxylic acid
5T2Y · Udp-N-acetylbacillosamine N-acetyltransferase: “Crystal structure of C. jejuni pgld in complex with 5-methyl-4…”. X-ray diffraction, 1 ligand (753), 1 pocket (best druggability 0.50). MolNFT v1 #134398 on GenesisL1: 3D structure…
- PDB
- 5T2Y
- Type
- protein
- Length
- 384 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylbacillosamine N-acetyltransferase
- EC
- 2.3.1.203
- UniProt
- Q0P9D1
- Ligands
- 753
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Udp-N-acetylbacillosamine N-acetyltransferase (EC 2.3.1.203) | protein | 192 | 14% helix, 29% strand | Q0P9D1 |
Ligands and binding sites
- 753 · 5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.50 | 0.75 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 480 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5T2Y · Crystal Structure of C. jejuni PglD in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q0P9D1 · AlphaFold monomer V2.0 prediction for udp-N-acetylbacillosamine N-acetyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q0P9D1
- Elsewhere: RCSB PDB 5T2Y · PDBe 5T2Y · UniProt Q0P9D1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.