MolNFT v1 · #96585 · protein
Crystal structure of PUTA86-630 mutant D370N complexed with L- tetrahydro-2-furoic acid
4JNZ · Bifunctional protein puta: “Crystal structure of PUTA86-630 mutant D370N complexed with L- tetrahydro-2-furoic acid”. X-ray diffraction, 2 ligands (FAD, TFB), 3 pockets (best druggability 0.84). MolNFT v1 #96585 on GenesisL1: 3D…
- PDB
- 4JNZ
- Type
- protein
- Length
- 493 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional protein puta
- EC
- 1.5.99.8, 1.5.1.12
- UniProt
- P09546
- Ligands
- FAD, TFB
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional protein puta (EC 1.5.99.8, 1.5.1.12) | protein | 493 | 59% helix, 9% strand | P09546 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- TFB · Tetrahydrofuran-2-carboxylic acid · ligand · chains A
- 1PE · Pentaethylene glycol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 466 | 0.84 | 0.91 | 44 | FAD, TFB |
| 2 | 156 | 0.53 | 0.79 | 23 | empty |
| 3 | 81 | 0.36 | 0.75 | 18 | empty |
Compared structures
- 4JNZ · Crystal structure of PutA86-630 mutant D370N complexed with L-Tetrahydro-2-furoic acid · the same entry in another collection · chain A against A, TM-score 1.00
- P09546 · AlphaFold monomer V2.0 prediction for bifunctional protein puta (P09546) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 P09546
- Elsewhere: RCSB PDB 4JNZ · PDBe 4JNZ · UniProt P09546
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