MolNFT v1 · #135660 · protein
The dimeric crystal structure of htpa reductase from sellaginella moellendorffii
5U5N: “The dimeric crystal structure of htpa reductase from sellaginella moellendorffii”. X-ray diffraction, 2 ligands (NAD, CA), 5 pockets (best druggability 0.70). MolNFT v1 #135660 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5U5N
- Type
- protein
- Length
- 556 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Htpa reductase
- UniProt
- D8R6G2
- Ligands
- NAD, CA
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Htpa reductase | protein | 279 | 42% helix, 23% strand | D8R6G2 |
| B | Htpa reductase | protein | 277 | 43% helix, 22% strand | D8R6G2 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 538 | 0.70 | 0.80 | 62 | NAD |
| 2 | 392 | 0.60 | 0.76 | 52 | NAD |
| 3 | 82 | 0.47 | 0.82 | 19 | empty |
| 4 | 98 | 0.41 | 0.78 | 22 | empty |
| 5 | 56 | 0.28 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1640 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 5U5N · The dimeric crystal structure of HTPA Reductase from Sellaginella moellendorffii · 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 D8R6G2
- Elsewhere: RCSB PDB 5U5N · PDBe 5U5N · UniProt D8R6G2
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