MolNFT v1 · #66119 · protein
The structure of a tetrapyrrole methylase family protein domain from chlorobium tepidum tls
3HH1: “The structure of a tetrapyrrole methylase family protein domain from chlorobium tepidum tls”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.62). MolNFT v1 #66119 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3HH1
- Type
- protein
- Length
- 438 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetrapyrrole methylase family protein
- UniProt
- Q8KBY6
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetrapyrrole methylase family protein | protein | 113 | 42% helix, 20% strand | Q8KBY6 |
| B | Tetrapyrrole methylase family protein | protein | 113 | 42% helix, 21% strand | Q8KBY6 |
| C | Tetrapyrrole methylase family protein | protein | 102 | 42% helix, 22% strand | Q8KBY6 |
| D | Tetrapyrrole methylase family protein | protein | 110 | 41% helix, 21% strand | Q8KBY6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 361 | 0.62 | 0.78 | 45 | SO4 |
| 2 | 143 | 0.49 | 0.78 | 25 | empty |
| 3 | 243 | 0.48 | 0.74 | 34 | empty |
| 4 | 75 | 0.45 | 0.82 | 23 | empty |
| 5 | 60 | 0.44 | 0.83 | 16 | empty |
Interfaces
4 interfaces between chains.
- A–B · 719 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 625 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 374 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 99 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3HH1 · The Structure of a Tetrapyrrole methylase family protein domain from Chlorobium tepidum… · 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 Q8KBY6
- Elsewhere: RCSB PDB 3HH1 · PDBe 3HH1 · UniProt Q8KBY6
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