MolNFT v1 · #64821 · protein
Sulfite reductase hemoprotein nitrite complex
3GEO: “Sulfite reductase hemoprotein nitrite complex”. X-ray diffraction, 4 ligands (SF4, SRM, NA), 5 pockets (best druggability 0.76). MolNFT v1 #64821 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3GEO
- Type
- protein
- Length
- 455 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfite reductase hemoprotein
- EC
- 1.8.1.2
- UniProt
- P17846
- Ligands
- SF4, SRM, NA, NO2
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfite reductase hemoprotein (EC 1.8.1.2) | protein | 455 | 36% helix, 24% strand | P17846 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains A
- SRM · Siroheme · ligand · chains A
- NA · Sodium ion · metal · chains A
- NO2 · Nitrite ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 438 | 0.76 | 0.85 | 51 | NO2, SF4, SRM |
| 2 | 77 | 0.40 | 0.79 | 20 | empty |
| 3 | 63 | 0.36 | 0.78 | 17 | empty |
| 4 | 50 | 0.27 | 0.75 | 11 | empty |
| 5 | 55 | 0.27 | 0.74 | 14 | 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 3GEO · PDBe 3GEO · UniProt P17846
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