Research workbench
Carbonmonoxy trout hemoglobin I
Analyse Carbonmonoxy trout hemoglobin I in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1OUU
- Type
- protein
- Length
- 576 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin I
- UniProt
- P02019, P02142
- Ligands
- HEM, ACE, CMO
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin I | protein | 142 | 75% helix, 0% strand | P02019 |
| B, D | Hemoglobin I | protein | 146 | 79% helix, 0% strand | P02142 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- ACE · Acetyl group · ligand · 2 copies · chains A, C
- CMO · Carbon monoxide · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 681 | 0.82 | 0.86 | 76 | empty |
| 2 | 230 | 0.73 | 0.87 | 27 | HEM, CMO |
| 3 | 246 | 0.72 | 0.86 | 26 | HEM, CMO |
| 4 | 251 | 0.70 | 0.85 | 28 | HEM, CMO |
| 5 | 223 | 0.70 | 0.86 | 26 | HEM, CMO |
Interfaces
6 interfaces between chains.
- C–D · 941 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 920 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 526 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 501 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 432 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 1OUU · Carbonmonoxy trout hemoglobin I · the same entry in another collection · chain A against A, TM-score 1.00
- P02019 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-1 (P02019) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P02142 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta-1 (P02142) · 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 P02019
- Every structure of UniProt P02142
- Elsewhere: RCSB PDB 1OUU · PDBe 1OUU · UniProt P02019 · UniProt P02142
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