Research workbench
Acyclic imino acid reductase (BSP5) in complex with NADPH and D-arg
Analyse Acyclic imino acid reductase (BSP5) in complex with NADPH and D-arg in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6P2I
- Type
- protein
- Length
- 614 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycerate dehydrogenase
- UniProt
- A0A1I4FUG4
- Ligands
- NAP, DAR
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glycerate dehydrogenase | protein | 307 | 37% helix, 17% strand | A0A1I4FUG4 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- DAR · D-arginine · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, 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 | 605 | 0.76 | 0.82 | 62 | NAP, DAR |
| 2 | 570 | 0.75 | 0.82 | 46 | NAP, DAR |
Interfaces
1 interface between chains.
- A–B · 2803 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 6P2I · Acyclic imino acid reductase (Bsp5) in complex with NADPH and D-Arg · 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 A0A1I4FUG4
- Elsewhere: RCSB PDB 6P2I · PDBe 6P2I · UniProt A0A1I4FUG4
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