Research workbench
Rmm microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure
Analyse Rmm microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CI9
- Type
- protein
- Length
- 4,087 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] reductase
- EC
- 1.1.1.100
- UniProt
- A0QP46
- Ligands
- NAP, F3V, MG, CL
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 10 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, G, M | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 256 | 47% helix, 16% strand | A0QP46 |
| B | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 255 | 47% helix, 16% strand | A0QP46 |
| C | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 258 | 47% helix, 16% strand | A0QP46 |
| D | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 259 | 46% helix, 16% strand | A0QP46 |
| E, K, P | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 255 | 47% helix, 16% strand | A0QP46 |
| F, N | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 254 | 48% helix, 17% strand | A0QP46 |
| H, L | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 253 | 47% helix, 16% strand | A0QP46 |
| I | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 258 | 48% helix, 16% strand | A0QP46 |
| J | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 257 | 47% helix, 16% strand | A0QP46 |
| O | 3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100) | protein | 253 | 46% helix, 16% strand | A0QP46 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 16 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
- F3V · 1-aminopropan-2-one · ligand · 16 copies · chains A, C, B, D, E, G, F, H, I, K, J, L, M, O, N, P
- MG · Magnesium ion · metal · 8 copies · chains A, C, F, H, J, L, M, O
- CL · Chloride ion · ion · 17 copies · chains A, D, B, C, E, H, F, G, I, J, K, L, M, P, N, O
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1002 | 0.85 | 0.86 | 67 | CL |
| 2 | 1072 | 0.85 | 0.86 | 95 | CL |
| 3 | 1029 | 0.85 | 0.86 | 74 | CL |
| 4 | 1082 | 0.85 | 0.86 | 87 | CL |
| 5 | 361 | 0.75 | 0.86 | 41 | NAP, F3V |
Interfaces
28 interfaces between chains.
- C–D · 1936 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1906 Ų buried · 16 hydrogen bonds · protein-protein
- G–H · 1899 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1883 Ų buried · 16 hydrogen bonds · protein-protein
- J–K · 1883 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6CI9 · RMM microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone… · 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 A0QP46
- Elsewhere: RCSB PDB 6CI9 · PDBe 6CI9 · UniProt A0QP46
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.