MolNFT v1 · #23951 · protein
Crystal structure of pantothenate synthetase from thermus thermophilus HB8
1UFV · Pantoate-beta-alanine ligase: “Crystal structure of pantothenate synthetase from thermus thermophilus HB8”. X-ray diffraction, 1 ligand (CL), 7 pockets (best druggability 0.85). MolNFT v1 #23951 on GenesisL1: 3D structure, binding…
- PDB
- 1UFV
- Type
- protein
- Length
- 552 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantoate-beta-alanine ligase
- EC
- 6.3.2.1
- UniProt
- P83701
- Ligands
- CL
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pantoate-beta-alanine ligase (EC 6.3.2.1) | protein | 276 | 42% helix, 22% strand | P83701 |
Ligands and binding sites
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 | 464 | 0.85 | 0.92 | 73 | CL, GOL |
| 2 | 457 | 0.84 | 0.91 | 70 | CL, GOL |
| 3 | 293 | 0.55 | 0.76 | 36 | empty |
| 4 | 57 | 0.35 | 0.78 | 17 | empty |
| 5 | 59 | 0.34 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1157 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 1UFV · Crystal Structure Of Pantothenate Synthetase From Thermus Thermophilus HB8 · 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 P83701
- Elsewhere: RCSB PDB 1UFV · PDBe 1UFV · UniProt P83701
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