MolNFT v1 · #135156 · protein
Cinnamoyl-CoA reductase 1 from sorghum bicolor in complex with NADP+
5TQM: “Cinnamoyl-CoA reductase 1 from sorghum bicolor in complex with NADP+”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.78). MolNFT v1 #135156 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5TQM
- Type
- protein
- Length
- 630 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cinnamoyl-CoA reductase
- UniProt
- C5YLL4
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cinnamoyl-CoA reductase | protein | 315 | 42% helix, 16% strand | C5YLL4 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1151 | 0.78 | 0.80 | 94 | NAP, GOL, DTT |
| 2 | 1160 | 0.78 | 0.80 | 101 | NAP, GOL, DTT |
| 3 | 68 | 0.29 | 0.73 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 998 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5TQM · Cinnamoyl-CoA Reductase 1 from Sorghum bicolor in complex with NADP+ · 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 C5YLL4
- Elsewhere: RCSB PDB 5TQM · PDBe 5TQM · UniProt C5YLL4
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