MolNFT v1 · #178584 · protein
Crystal structure of leucine-, isoleucine-, valine-, threonine-, and alanine-binding protein from brucella ovis, closed conformation
7JFN · Putative branched chain amino acid ABC transporter…: “Crystal structure of leucine-, isoleucine-, valine-, threonine-, and alanine-binding protein from brucella…”. X-ray diffraction, 2 ligands (K, NO3), 6 pockets (best druggability…
- PDB
- 7JFN
- Type
- protein
- Length
- 390 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative branched chain amino acid ABC transporter, periplasmic amino acid-binding protein
- UniProt
- A0A0H3ATZ3
- Ligands
- K, NO3
- Pockets
- 6 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative branched chain amino acid ABC transporter, periplasmic amino acid-binding protein | protein | 390 | 42% helix, 21% strand | A0A0H3ATZ3 |
Ligands and binding sites
- K · Potassium ion · metal · chains A
- NO3 · Nitrate ion · ion · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 162 | 0.65 | 0.86 | 29 | empty |
| 2 | 255 | 0.58 | 0.79 | 36 | NO3 |
| 3 | 52 | 0.29 | 0.75 | 13 | empty |
| 4 | 53 | 0.28 | 0.75 | 12 | empty |
| 5 | 65 | 0.27 | 0.72 | 18 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7JFN · Crystal Structure of Leucine-, isoleucine-, valine-, threonine-, and alanine-binding… · 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 A0A0H3ATZ3
- Elsewhere: RCSB PDB 7JFN · PDBe 7JFN · UniProt A0A0H3ATZ3
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