MolNFT v1 · #65222 · protein
Crystal structure determination of cat (felis silvestris catus) hemoglobin at 2.0 ångström resolution
3GQP · Hemoglobin subunit alpha: “Crystal structure determination of cat (felis silvestris catus) hemoglobin at 2.0 ångström resolution”. X-ray diffraction, 1 ligand (HEM), 7 pockets (best druggability 0.85). MolNFT v1 #65222 on GenesisL1…
- PDB
- 3GQP
- Type
- protein
- Length
- 572 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hemoglobin subunit alpha; Hemoglobin subunit beta-A/B
- UniProt
- P07405, P07412
- Ligands
- HEM
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Hemoglobin subunit alpha | protein | 141 | 75% helix, 0% strand | P07405 |
| B, D | Hemoglobin subunit beta-A/B | protein | 145 | 79% helix, 0% strand | P07412 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · 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 | 1157 | 0.85 | 0.86 | 94 | empty |
| 2 | 311 | 0.75 | 0.86 | 40 | HEM |
| 3 | 247 | 0.74 | 0.87 | 30 | HEM |
| 4 | 176 | 0.71 | 0.88 | 24 | HEM |
| 5 | 178 | 0.67 | 0.85 | 25 | HEM |
Interfaces
6 interfaces between chains.
- A–B · 937 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 859 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 614 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 564 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 415 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3GQP · Crystal structure determination of cat (Felis silvestris catus) hemoglobin at 2.0… · the same entry in another collection · chain A against A, TM-score 1.00
- P07412 · AlphaFold monomer V2.0 prediction for hemoglobin subunit beta-A/B (P07412) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P07405 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha (P07405) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P07405
- Every structure of UniProt P07412
- Elsewhere: RCSB PDB 3GQP · PDBe 3GQP · UniProt P07405 · UniProt P07412
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