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The 1.9 ångström structure of deoxy-BETA4 hemoglobin: analysis of the partitioning of quaternary-associated and ligand-induced changes in tertiary structure
Analyse The 1.9 ångström structure of deoxy-BETA4 hemoglobin: analysis of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CBL
- Type
- protein
- Length
- 584 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin beta 4 (deoxy)
- UniProt
- P68871
- Ligands
- HEM, SO4
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hemoglobin beta 4 (deoxy) | protein | 146 | 79% helix, 0% strand | P68871 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.86 | 0.87 | 106 | empty |
| 2 | 245 | 0.74 | 0.88 | 30 | HEM |
| 3 | 227 | 0.74 | 0.88 | 30 | HEM |
| 4 | 241 | 0.74 | 0.87 | 30 | HEM |
| 5 | 224 | 0.73 | 0.87 | 30 | HEM |
Interfaces
6 interfaces between chains.
- B–C · 908 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 893 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 636 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 625 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 303 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1CBL · The 1.9 ångström structure of deoxy-BETA4 hemoglobin: analysis of the partitioning of… · the same entry in another collection · chain C against C, TM-score 1.00
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 P68871
- Elsewhere: RCSB PDB 1CBL · PDBe 1CBL · UniProt P68871
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