MolNFT v1 · #74405 · protein
Crystal structure of human alpha-haemoglobin complexed with ahsp and the first neat domain of isdh from staphylococcus aureus
3OVU · Alpha-hemoglobin-stabilizing protein: “Crystal structure of human alpha-haemoglobin complexed with ahsp and the first neat domain of isdh from…”. X-ray diffraction, 1 ligand (HEM), 5 pockets (best druggability 0.75). MolNFT v1…
- PDB
- 3OVU
- Type
- protein
- Length
- 371 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-hemoglobin-stabilizing protein; Iron-regulated surface determinant protein H…
- UniProt
- Q9NZD4, Q6G8J7, P69905
- Ligands
- HEM
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 50% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-hemoglobin-stabilizing protein | protein | 88 | 82% helix, 0% strand | Q9NZD4 |
| B | Iron-regulated surface determinant protein H | protein | 144 | 9% helix, 44% strand | Q6G8J7 |
| C | Hemoglobin subunit alpha | protein | 139 | 73% helix, 0% strand | P69905 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.75 | 0.92 | 27 | empty |
| 2 | 274 | 0.74 | 0.87 | 37 | HEM |
| 3 | 135 | 0.47 | 0.78 | 23 | empty |
| 4 | 66 | 0.36 | 0.77 | 16 | empty |
| 5 | 78 | 0.34 | 0.75 | 18 | empty |
Interfaces
2 interfaces between chains.
- A–C · 837 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 634 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3OVU · Crystal Structure of Human Alpha-Haemoglobin Complexed with AHSP and the First NEAT… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6G8J7 · AlphaFold monomer V2.0 prediction for iron-regulated surface determinant protein H… · a predicted model of the same protein · chain B against A, TM-score 0.98
- Q9NZD4 · AlphaFold monomer V2.0 prediction for alpha-hemoglobin-stabilizing protein (Q9NZD4) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9NZD4
- Every structure of UniProt Q6G8J7
- Every structure of UniProt P69905
- Elsewhere: RCSB PDB 3OVU · PDBe 3OVU · UniProt Q9NZD4 · UniProt Q6G8J7 · UniProt P69905
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