Research workbench
Homoserine dehydrogenase K99A mutant from thermus thermophilus HB8 complexed with hse and NADP+
Analyse Homoserine dehydrogenase K99A mutant from thermus thermophilus HB8 complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6A0T
- Type
- protein
- Length
- 663 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoserine dehydrogenase
- EC
- 1.1.1.3
- UniProt
- Q5SL04
- Ligands
- HSE, NAP, NA
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Homoserine dehydrogenase (EC 1.1.1.3) | protein | 332 | 39% helix, 23% strand | Q5SL04 |
| A | Homoserine dehydrogenase (EC 1.1.1.3) | protein | 331 | 40% helix, 23% strand | Q5SL04 |
Ligands and binding sites
- HSE · L-homoserine · ligand · 2 copies · chains B, A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains B, A
- NA · Sodium ion · metal · 2 copies · chains B, A
- FMT · Formic acid · additive · 10 copies · chains B, A
- GOL · Glycerol · additive · 5 copies · chains B, A
- CXS · 3-cyclohexyl-1-propylsulfonic acid · additive · chains 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.79 | 0.89 | 65 | empty |
| 2 | 355 | 0.68 | 0.82 | 47 | HSE, NAP |
| 3 | 327 | 0.67 | 0.82 | 48 | HSE, NAP |
| 4 | 60 | 0.60 | 0.91 | 23 | empty |
| 5 | 158 | 0.49 | 0.78 | 30 | GOL |
Interfaces
1 interface between chains.
- B–A · 1947 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 6A0T · Homoserine dehydrogenase K99A mutant from Thermus thermophilus HB8 complexed with HSE and… · 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 Q5SL04
- Elsewhere: RCSB PDB 6A0T · PDBe 6A0T · UniProt Q5SL04
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