Research workbench
Crystal structure of enoyl-(acyl-carrier-protein) reductase from anaplasma phagocytophilum at 1.9A resolution
Analyse Crystal structure of enoyl-(acyl-carrier-protein) reductase from anaplasma… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3K2E
- Type
- protein
- Length
- 518 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Enoyl-(acyl-carrier-protein) reductase
- EC
- 1.3.1.9
- UniProt
- Q2GKM8
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Enoyl-(acyl-carrier-protein) reductase (EC 1.3.1.9) | protein | 260 | 49% helix, 15% strand | Q2GKM8 |
| B | Enoyl-(acyl-carrier-protein) reductase (EC 1.3.1.9) | protein | 258 | 50% helix, 16% strand | Q2GKM8 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 831 | 0.77 | 0.80 | 56 | EDO, GOL |
| 2 | 572 | 0.66 | 0.76 | 47 | EDO, GOL |
| 3 | 165 | 0.50 | 0.78 | 19 | empty |
| 4 | 76 | 0.43 | 0.80 | 18 | empty |
| 5 | 53 | 0.41 | 0.82 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1550 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 3K2E · Crystal structure of enoyl-(acyl-carrier-protein) reductase from Anaplasma… · 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 Q2GKM8
- Elsewhere: RCSB PDB 3K2E · PDBe 3K2E · UniProt Q2GKM8
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