MolNFT v1 · #152530 · protein
Udp-glucose pyrophosphorylase from acinetobacter baumanii
6IKX · UTP--glucose-1-phosphate uridylyltransferase: “Udp-glucose pyrophosphorylase from acinetobacter baumanii”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.67). MolNFT v1 #152530 on GenesisL1: 3D structure, binding…
- PDB
- 6IKX
- Type
- protein
- Length
- 570 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UTP--glucose-1-phosphate uridylyltransferase
- EC
- 2.7.7.9
- UniProt
- X2KZJ9
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | UTP--glucose-1-phosphate uridylyltransferase (EC 2.7.7.9) | protein | 285 | 34% helix, 23% strand | X2KZJ9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 12 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 641 | 0.67 | 0.76 | 57 | GOL, SO4, EDO |
| 2 | 607 | 0.67 | 0.76 | 62 | SO4 |
| 3 | 210 | 0.56 | 0.79 | 41 | EDO |
| 4 | 125 | 0.48 | 0.79 | 19 | empty |
| 5 | 125 | 0.43 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2327 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 6IKX · UDP-glucose pyrophosphorylase from acinetobacter baumanii · 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 X2KZJ9
- Elsewhere: RCSB PDB 6IKX · PDBe 6IKX · UniProt X2KZJ9
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