Research workbench
N149W variant of sirhp bound to sulfite
Analyse N149W variant of sirhp bound to sulfite in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HTR
- Type
- protein
- Length
- 441 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfite reductase [NADPH] hemoprotein beta-component
- EC
- 1.8.1.2
- UniProt
- P17846
- Ligands
- SF4, SRM, NA, SO3
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfite reductase [NADPH] hemoprotein beta-component (EC 1.8.1.2) | protein | 441 | 36% helix, 23% strand | P17846 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains A
- SRM · Siroheme · ligand · chains A
- NA · Sodium ion · metal · chains A
- SO3 · Sulfite ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 444 | 0.72 | 0.82 | 53 | SO3, SF4, SRM |
| 2 | 80 | 0.39 | 0.78 | 16 | empty |
| 3 | 77 | 0.35 | 0.76 | 18 | empty |
| 4 | 62 | 0.30 | 0.75 | 17 | empty |
Compared structures
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 P17846
- Elsewhere: RCSB PDB 4HTR · PDBe 4HTR · UniProt P17846
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