Research workbench
Crystal structure determination of sheep methemoglobin at 2.7 ångström resolution
Analyse Crystal structure determination of sheep methemoglobin at 2.7 ångström… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QU0
- Type
- protein
- Length
- 572 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha-1/2; Hemoglobin subunit beta
- UniProt
- P68240, P02075
- Ligands
- HEM
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin subunit alpha-1/2 | protein | 141 | 79% helix, 0% strand | P68240 |
| B, D | Hemoglobin subunit beta | protein | 145 | 81% helix, 0% strand | P02075 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.80 | 0.90 | 44 | empty |
| 2 | 251 | 0.75 | 0.88 | 29 | HEM |
| 3 | 236 | 0.74 | 0.88 | 32 | HEM |
| 4 | 225 | 0.74 | 0.88 | 26 | HEM |
| 5 | 185 | 0.72 | 0.89 | 32 | empty |
Interfaces
6 interfaces between chains.
- C–D · 917 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 880 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 579 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 558 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 186 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2QU0 · Crystal structure determination of sheep methemoglobin at 2.7 Angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P68240 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-1/2 (P68240) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P02075 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P02075) · a predicted model of the same protein · chain B 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 P68240
- Every structure of UniProt P02075
- Elsewhere: RCSB PDB 2QU0 · PDBe 2QU0 · UniProt P68240 · UniProt P02075
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