MolNFT v1 · #44420 · protein
Refined solution structure of human adult hemoglobin in the carbonmonoxy form
2M6Z · Hemoglobin subunit alpha: “Refined solution structure of human adult hemoglobin in the carbonmonoxy form”. Solution nmr, 1 ligand (HEC), 7 pockets (best druggability 0.80). MolNFT v1 #44420 on GenesisL1: 3D structure, binding sites…
- PDB
- 2M6Z
- Type
- protein
- Length
- 574 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha; Hemoglobin subunit beta
- UniProt
- P69905, P68871
- Ligands
- HEC
- Pockets
- 7 · best druggability 0.80
Structure
solution nmr · 2 distinct chains · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin subunit alpha | protein | 141 | 71% helix, 0% strand | P69905 |
| B, D | Hemoglobin subunit beta | protein | 146 | 74% helix, 0% strand | P68871 |
Ligands and binding sites
- HEC · Heme C · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 947 | 0.80 | 0.81 | 91 | empty |
| 2 | 403 | 0.75 | 0.84 | 36 | HEC |
| 3 | 419 | 0.75 | 0.84 | 36 | HEC |
| 4 | 254 | 0.72 | 0.86 | 39 | HEC |
| 5 | 255 | 0.72 | 0.86 | 35 | HEC |
Interfaces
5 interfaces between chains.
- C–D · 946 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 946 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 811 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 808 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 11 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2M6Z · Refined solution structure of Human Adult Hemoglobin in the Carbonmonoxy Form · 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 P69905
- Every structure of UniProt P68871
- Elsewhere: RCSB PDB 2M6Z · PDBe 2M6Z · UniProt P69905 · UniProt P68871
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