MolNFT v1 · #65858 · protein
Crystal structure of bacb, an enzyme involved in bacilysin synthesis, in triclinic form
3H9A · Bacilysin biosynthesis protein bacb: “Crystal structure of bacb, an enzyme involved in bacilysin synthesis, in triclinic form”. X-ray diffraction, 3 ligands (PPY, CO, FE), 5 pockets (best druggability 0.79). MolNFT v1 #65858 on…
- PDB
- 3H9A
- Type
- protein
- Length
- 450 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacilysin biosynthesis protein bacb
- UniProt
- P39639
- Ligands
- PPY, CO, FE
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bacilysin biosynthesis protein bacb | protein | 225 | 4% helix, 56% strand | P39639 |
Ligands and binding sites
- PPY · 3-phenylpyruvic acid · ligand · 2 copies · chains A, B
- CO · Cobalt (II) ion · metal · 4 copies · chains A, B
- FE · Fe (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 985 | 0.79 | 0.81 | 97 | empty |
| 2 | 81 | 0.75 | 0.98 | 22 | PPY |
| 3 | 65 | 0.71 | 0.97 | 21 | PPY |
| 4 | 59 | 0.32 | 0.76 | 19 | empty |
| 5 | 66 | 0.31 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 421 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 3H9A · Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in triclinic form · the same entry in another collection · chain A against A, TM-score 1.00
- P39639 · AlphaFold monomer V2.0 prediction for H2HPP isomerase (P39639) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P39639
- Elsewhere: RCSB PDB 3H9A · PDBe 3H9A · UniProt P39639
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.