Research workbench
Crystal structure of cormorant (phalacrocorax carbo) hemoglobin
Analyse Crystal structure of cormorant (phalacrocorax carbo) hemoglobin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WR1
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha-a; Hemoglobin subunit beta
- UniProt
- P10780, P10782
- Ligands
- HEM
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hemoglobin subunit alpha-a | protein | 141 | 76% helix, 0% strand | P10780 |
| B | Hemoglobin subunit beta | protein | 146 | 80% helix, 0% strand | P10782 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.70 | 0.85 | 25 | HEM |
| 2 | 169 | 0.66 | 0.85 | 26 | HEM |
| 3 | 132 | 0.53 | 0.81 | 22 | empty |
| 4 | 119 | 0.36 | 0.73 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 957 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3WR1 · Crystal structure of Cormorant (Phalacrocorax carbo) hemoglobin · the same entry in another collection · chain A against A, TM-score 1.00
- P10782 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta (P10782) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P10780 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-a (P10780) · 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 P10780
- Every structure of UniProt P10782
- Elsewhere: RCSB PDB 3WR1 · PDBe 3WR1 · UniProt P10780 · UniProt P10782
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