Research workbench
Crystal structure of the prolyl acyl carrier protein oxidase anab
Analyse Crystal structure of the prolyl acyl carrier protein oxidase anab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IRN
- Type
- protein
- Length
- 3,024 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prolyl-acp dehydrogenase
- EC
- 1.3.99.-
- UniProt
- C4NCB7
- Ligands
- FAD
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Prolyl-acp dehydrogenase (EC 1.3.99.-) | protein | 378 | 59% helix, 14% strand | C4NCB7 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 8 copies · chains A, B, D, C, E, F, H, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 832 | 0.85 | 0.87 | 84 | FAD |
| 2 | 870 | 0.84 | 0.86 | 92 | FAD |
| 3 | 668 | 0.84 | 0.88 | 65 | FAD |
| 4 | 625 | 0.84 | 0.88 | 61 | FAD |
| 5 | 762 | 0.84 | 0.86 | 79 | FAD |
Interfaces
15 interfaces between chains.
- A–B · 1904 Ų buried · 27 hydrogen bonds · protein-protein
- G–H · 1889 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 1875 Ų buried · 27 hydrogen bonds · protein-protein
- E–F · 1870 Ų buried · 28 hydrogen bonds · protein-protein
- F–G · 1428 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 4IRN · Crystal Structure of the Prolyl Acyl Carrier Protein Oxidase AnaB · 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 C4NCB7
- Elsewhere: RCSB PDB 4IRN · PDBe 4IRN · UniProt C4NCB7
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