Research workbench
Crystal structure of ferric murine neuroglobin cdless mutant
Analyse Crystal structure of ferric murine neuroglobin cdless mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OHD
- Type
- protein
- Length
- 267 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Neuroglobin
- UniProt
- Q9ER97
- Ligands
- HEM, SO4
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 83% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Neuroglobin | protein | 133 | 85% helix, 0% strand | Q9ER97 |
| B | Neuroglobin | protein | 134 | 81% helix, 0% strand | Q9ER97 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- IPA · Isopropyl alcohol · additive · 2 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.74 | 0.87 | 30 | HEM |
| 2 | 378 | 0.74 | 0.85 | 40 | SO4 |
| 3 | 268 | 0.73 | 0.86 | 37 | HEM |
| 4 | 166 | 0.51 | 0.78 | 23 | SO4 |
| 5 | 52 | 0.27 | 0.74 | 14 | GOL |
Interfaces
1 interface between chains.
- A–B · 740 Ų buried · 9 hydrogen bonds · protein-protein
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 Q9ER97
- Elsewhere: RCSB PDB 7OHD · PDBe 7OHD · UniProt Q9ER97
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