Research workbench
Evidence of kinetic cooperativity in dimeric ketopantoate reductase from staphylococcus aureus
Analyse Evidence of kinetic cooperativity in dimeric ketopantoate reductase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4YCA
- Type
- protein
- Length
- 570 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-dehydropantoate 2-reductase
- EC
- 1.1.1.169
- UniProt
- W8TQG0
- Ligands
- NDP
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-dehydropantoate 2-reductase (EC 1.1.1.169) | protein | 284 | 46% helix, 23% strand | W8TQG0 |
| B | 2-dehydropantoate 2-reductase (EC 1.1.1.169) | protein | 286 | 47% helix, 24% strand | W8TQG0 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 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 | 709 | 0.74 | 0.80 | 54 | NDP |
| 2 | 682 | 0.70 | 0.78 | 54 | NDP |
| 3 | 130 | 0.45 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1049 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4YCA · Evidence of Kinetic Cooperativity in dimeric Ketopantoate Reductase from Staphylococcus… · 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 W8TQG0
- Elsewhere: RCSB PDB 4YCA · PDBe 4YCA · UniProt W8TQG0
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