MolNFT v1 · #58102 · protein
Side-necked turtle (pleurodira, chelonia, reptilia) hemoglobin: cdna- derived primary structures and X-ray crystal structures of hb a
3AT6 · Alphaa-globin: “Side-necked turtle (pleurodira, chelonia, reptilia) hemoglobin: cdna- derived primary structures and X-ray…”. X-ray diffraction, 1 ligand (HEM), 3 pockets (best druggability 0.74). MolNFT v1 #58102 on GenesisL1: 3D…
- PDB
- 3AT6
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alphaa-globin; Beta-globin
- UniProt
- E5RWQ0, E5RWQ1
- Ligands
- HEM
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alphaa-globin | protein | 141 | 75% helix, 0% strand | E5RWQ0 |
| B | Beta-globin | protein | 146 | 77% helix, 0% strand | E5RWQ1 |
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
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.74 | 0.88 | 29 | HEM |
| 2 | 212 | 0.72 | 0.87 | 32 | HEM |
| 3 | 158 | 0.49 | 0.78 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 902 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3AT6 · Side-necked turtle (Pleurodira, Chelonia, REPTILIA) hemoglobin: cDNA-derived primary… · the same entry in another collection · chain A against A, 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 E5RWQ0
- Every structure of UniProt E5RWQ1
- Elsewhere: RCSB PDB 3AT6 · PDBe 3AT6 · UniProt E5RWQ0 · UniProt E5RWQ1
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