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
- 4S3M
- Type
- protein
- Length
- 526 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
- Q99R37
- Ligands
- NAP
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-dehydropantoate 2-reductase (EC 1.1.1.169) | protein | 263 | 44% helix, 26% strand | Q99R37 |
| B | 2-dehydropantoate 2-reductase (EC 1.1.1.169) | protein | 263 | 44% helix, 23% strand | Q99R37 |
Ligands and binding sites
- NAP · Nadp 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
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 | 720 | 0.70 | 0.77 | 80 | NAP |
| 2 | 351 | 0.56 | 0.75 | 41 | NAP |
Interfaces
1 interface between chains.
- A–B · 342 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4S3M · 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 Q99R37
- Elsewhere: RCSB PDB 4S3M · PDBe 4S3M · UniProt Q99R37
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