Research workbench
Structure of adenylylsulfate reductase from the hyperthermophilic archaeoglobus fulgidus at 1.6 resolution
Analyse Structure of adenylylsulfate reductase from the hyperthermophilic archaeoglobus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JNR
- Type
- protein
- Length
- 1,582 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylylsulfate reductase
- EC
- 1.8.99.2
- UniProt
- O28603, O28604
- Ligands
- SF4, FAD
- Pockets
- 18 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Adenylylsulfate reductase (EC 1.8.99.2) | protein | 642 | 40% helix, 17% strand | O28603 |
| B, D | Adenylylsulfate reductase (EC 1.8.99.2) | protein | 149 | 13% helix, 23% strand | O28604 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 4 copies · chains A, B, C, D
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B, C, D
- GOL · Glycerol · additive · 4 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 736 | 0.86 | 0.89 | 93 | FAD |
| 2 | 680 | 0.86 | 0.90 | 85 | FAD, GOL |
| 3 | 686 | 0.82 | 0.86 | 84 | empty |
| 4 | 303 | 0.77 | 0.88 | 67 | empty |
| 5 | 119 | 0.61 | 0.86 | 30 | GOL |
Interfaces
5 interfaces between chains.
- C–D · 4498 Ų buried · 73 hydrogen bonds · protein-protein
- A–B · 4490 Ų buried · 76 hydrogen bonds · protein-protein
- A–C · 1710 Ų buried · 32 hydrogen bonds · protein-protein
- B–C · 861 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 845 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 1JNR · Structure of adenylylsulfate reductase from the hyperthermophilic Archaeoglobus fulgidus… · 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 O28603
- Every structure of UniProt O28604
- Elsewhere: RCSB PDB 1JNR · PDBe 1JNR · UniProt O28603 · UniProt O28604
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