MolNFT v1 · #53814 · protein
The ternary complex of prnb (the second enzyme in pyrrolnitrin biosynthesis pathway), tryptophan and cyanide
2X67: “The ternary complex of prnb (the second enzyme in pyrrolnitrin biosynthesis pathway), tryptophan and cyanide”. X-ray diffraction, 4 ligands (HEM, TRP, SO4), 2 pockets (best druggability 0.87). MolNFT v1 #53814 on GenesisL1: 3D…
- PDB
- 2X67
- Type
- protein
- Length
- 350 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prnb
- UniProt
- P95481
- Ligands
- HEM, TRP, SO4, CYN
- Pockets
- 2 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prnb | protein | 350 | 68% helix, 2% strand | P95481 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- TRP · Tryptophan · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- CYN · Cyanide ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 450 | 0.87 | 0.94 | 52 | HEM, TRP, CYN |
| 2 | 55 | 0.28 | 0.74 | 17 | empty |
Compared structures
- 2X67 · The ternary complex of PrnB (the second enzyme in pyrrolnitrin biosynthesis pathway)… · the same entry in another collection · chain A against A, TM-score 1.00
- P95481 · AlphaFold monomer V2.0 prediction for monodechloroaminopyrrolnitrin synthase prnb (P95481) · a predicted model of the same protein · 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 P95481
- Elsewhere: RCSB PDB 2X67 · PDBe 2X67 · UniProt P95481
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