Research workbench
Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound aerf from microcystis aeruginosa
Analyse Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound aerf from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JHB
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short chain dehydrogenase family protein
- UniProt
- L8NWH6
- Ligands
- NDP, ENO
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short chain dehydrogenase family protein | protein | 238 | 50% helix, 16% strand | L8NWH6 |
| B | Short chain dehydrogenase family protein | protein | 264 | 54% helix, 15% strand | L8NWH6 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- ENO · 3-(4-hydroxy-phenyl)pyruvic acid · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 860 | 0.79 | 0.81 | 81 | NDP, ENO |
| 2 | 380 | 0.60 | 0.76 | 36 | NDP |
Interfaces
1 interface between chains.
- A–B · 1555 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 6JHB · Crystal structure of NADPH and 4-hydroxyphenylpyruvic acid bound AerF from Microcystis… · 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 L8NWH6
- Elsewhere: RCSB PDB 6JHB · PDBe 6JHB · UniProt L8NWH6
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