MolNFT v1 · #148494 · protein
Structure of H234A/Y235A P.ABYSSI SUA5
6F89 · Threonylcarbamoyl-AMP synthase: “Structure of H234A/Y235A P.ABYSSI SUA5”. X-ray diffraction, 2 ligands (BCT, THR), 5 pockets (best druggability 0.80). MolNFT v1 #148494 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6F89
- Type
- protein
- Length
- 670 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Threonylcarbamoyl-AMP synthase
- EC
- 2.7.7.87
- UniProt
- Q9UYB2
- Ligands
- BCT, THR
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Threonylcarbamoyl-AMP synthase (EC 2.7.7.87) | protein | 344 | 33% helix, 20% strand | Q9UYB2 |
| B | Threonylcarbamoyl-AMP synthase (EC 2.7.7.87) | protein | 326 | 36% helix, 21% strand | Q9UYB2 |
Ligands and binding sites
- BCT · Bicarbonate ion · ligand · 2 copies · chains A, B
- THR · Threonine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 241 | 0.80 | 0.93 | 45 | BCT, THR |
| 2 | 1030 | 0.75 | 0.77 | 73 | BCT, THR |
| 3 | 737 | 0.67 | 0.75 | 65 | empty |
| 4 | 87 | 0.46 | 0.80 | 24 | empty |
| 5 | 72 | 0.36 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 600 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
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 Q9UYB2
- Elsewhere: RCSB PDB 6F89 · PDBe 6F89 · UniProt Q9UYB2
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