MolNFT v1 · #152532 · protein
Udp-glucose pyrophosphorylase from acinetobacter baumanii
6IKZ · UTP--glucose-1-phosphate uridylyltransferase: “Udp-glucose pyrophosphorylase from acinetobacter baumanii”. X-ray diffraction, 3 ligands (PPV, UTP, SO4), 7 pockets (best druggability 0.70). MolNFT v1 #152532 on GenesisL1: 3D…
- PDB
- 6IKZ
- Type
- protein
- Length
- 575 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
- PPV, UTP, SO4
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | UTP--glucose-1-phosphate uridylyltransferase (EC 2.7.7.9) | protein | 290 | 34% helix, 23% strand | X2KZJ9 |
| B | UTP--glucose-1-phosphate uridylyltransferase (EC 2.7.7.9) | protein | 285 | 34% helix, 22% strand | X2KZJ9 |
Ligands and binding sites
- PPV · Pyrophosphate · ligand · chains A
- UTP · Uridine 5'-triphosphate · ligand · chains A, B
- SO4 · Sulfate ion · ion · 6 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
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 777 | 0.70 | 0.76 | 59 | PPV, GOL |
| 2 | 665 | 0.68 | 0.76 | 62 | UTP, SO4 |
| 3 | 237 | 0.58 | 0.79 | 41 | empty |
| 4 | 145 | 0.47 | 0.78 | 21 | empty |
| 5 | 139 | 0.46 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2348 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6IKZ · UDP-glucose pyrophosphorylase from acinetobacter baumanii · the same entry in another collection · chain B against B, 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 6IKZ · PDBe 6IKZ · UniProt X2KZJ9
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