MolNFT v1 · #135806 · protein
Dimeric crystal structure of htpa reductase from arabidopsis thaliana
5UA0 · 4-hydroxy-tetrahydrodipicolinate reductase 2, chloroplastic: “Dimeric crystal structure of htpa reductase from arabidopsis thaliana”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.73). MolNFT v1 #135806 on…
- PDB
- 5UA0
- Type
- protein
- Length
- 815 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-hydroxy-tetrahydrodipicolinate reductase 2, chloroplastic
- EC
- 1.17.1.8
- UniProt
- Q8LB01
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 4-hydroxy-tetrahydrodipicolinate reductase 2, chloroplastic (EC 1.17.1.8) | protein | 271 | 41% helix, 25% strand | Q8LB01 |
| B | 4-hydroxy-tetrahydrodipicolinate reductase 2, chloroplastic (EC 1.17.1.8) | protein | 270 | 39% helix, 26% strand | Q8LB01 |
| C | 4-hydroxy-tetrahydrodipicolinate reductase 2, chloroplastic (EC 1.17.1.8) | protein | 274 | 42% helix, 26% strand | Q8LB01 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 814 | 0.73 | 0.78 | 82 | empty |
| 2 | 242 | 0.60 | 0.80 | 32 | empty |
| 3 | 112 | 0.51 | 0.82 | 19 | empty |
| 4 | 111 | 0.48 | 0.80 | 20 | empty |
| 5 | 76 | 0.44 | 0.80 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2001 Ų buried · 34 hydrogen bonds · protein-protein
- A–C · 844 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 234 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5UA0 · Dimeric crystal structure of HTPA reductase from arabidopsis thaliana · the same entry in another collection · chain A against A, TM-score 1.00
- Q8LB01 · AlphaFold monomer V2.0 prediction for 4-hydroxy- tetrahydrodipicolinate reductase 2… · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q8LB01
- Elsewhere: RCSB PDB 5UA0 · PDBe 5UA0 · UniProt Q8LB01
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