MolNFT v1 · #188467 · protein
Crystal structure of shewanella benthica group 1 truncated hemoglobin C51S C71S Y34F variant
7TT9: “Crystal structure of shewanella benthica group 1 truncated hemoglobin C51S C71S Y34F variant”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.84). MolNFT v1 #188467 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7TT9
- Type
- protein
- Length
- 464 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Group 1 truncated hemoglobin
- UniProt
- A9DF82
- Ligands
- HEM
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Group 1 truncated hemoglobin | protein | 116 | 66% helix, 2% strand | A9DF82 |
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
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 941 | 0.84 | 0.85 | 82 | HEM |
| 2 | 415 | 0.80 | 0.88 | 36 | HEM |
| 3 | 507 | 0.78 | 0.84 | 48 | HEM |
| 4 | 387 | 0.57 | 0.75 | 38 | empty |
Interfaces
4 interfaces between chains.
- A–C · 755 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 754 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 617 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 613 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 7TT9 · Crystal structure of Shewanella benthica Group 1 truncated hemoglobin C51S C71S Y34F… · 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 A9DF82
- Elsewhere: RCSB PDB 7TT9 · PDBe 7TT9 · UniProt A9DF82
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