MolNFT v1 · #31825 · protein
Hemoglobin from cerdocyon thous, a canidae from brazil, at 2.2 ångströms resolution
2B7H · Hemoglobin alpha chain: “Hemoglobin from cerdocyon thous, a canidae from brazil, at 2.2 ångströms resolution”. X-ray diffraction, 2 ligands (HEM, SO4), 8 pockets (best druggability 0.86). MolNFT v1 #31825 on GenesisL1: 3D structure…
- PDB
- 2B7H
- Type
- protein
- Length
- 571 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin alpha chain; Hemoglobin beta chain
- UniProt
- P60523, P60526
- Ligands
- HEM, SO4
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin alpha chain | protein | 141 | 79% helix, 0% strand | P60523 |
| B | Hemoglobin beta chain | protein | 144 | 77% helix, 0% strand | P60526 |
| D | Hemoglobin beta chain | protein | 145 | 78% helix, 0% strand | P60526 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1198 | 0.86 | 0.87 | 110 | empty |
| 2 | 209 | 0.76 | 0.90 | 29 | HEM |
| 3 | 205 | 0.72 | 0.88 | 34 | HEM |
| 4 | 186 | 0.69 | 0.86 | 27 | HEM |
| 5 | 175 | 0.68 | 0.87 | 27 | HEM |
Interfaces
6 interfaces between chains.
- C–D · 866 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 858 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 515 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 495 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 216 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2B7H · Hemoglobin from Cerdocyon thous, a canidae from Brazil, at 2.2 Angstroms resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P60526 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P60526) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P60523 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P60523) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P60523
- Every structure of UniProt P60526
- Elsewhere: RCSB PDB 2B7H · PDBe 2B7H · UniProt P60523 · UniProt P60526
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