MolNFT v2 · #226094 · protein
Crystal structure of NeIle complexed with isoleucine
8Z0G · Leu/Ile/Val-binding protein,Leu/Ile/Val-binding…: “Crystal structure of NeIle complexed with isoleucine”. X-ray diffraction at 2.65, 2 ligands (ILE, CL), 2 pockets (best druggability 0.71). MolNFT v2 #226094 on GenesisL1: 3D…
- PDB
- 8Z0G
- Type
- protein
- Length
- 565 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.65
- Source
- Branchiostoma lanceolatum; Escherichia coli O157:H7
- Molecule
- Leu/Ile/Val-binding protein,Leu/Ile/Val-binding protein,mNeonGreen
- UniProt
- P0AD98
- Ligands
- ILE, CL
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · resolution 2.65 · 1 distinct chain · 32% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leu/Ile/Val-binding protein,Leu/Ile/Val-binding protein,mNeonGreen | protein | 565 | 32% helix, 32% strand | P0AD98 |
Ligands and binding sites
- ILE · Isoleucine · ligand · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 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 | 561 | 0.71 | 0.80 | 64 | CL |
| 2 | 136 | 0.48 | 0.78 | 25 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- P0AD98 · AlphaFold monomer V2.0 prediction for LEU/ILE/VAL-binding protein (P0AD98) · a predicted model of the same protein · chain A against A, TM-score 0.60
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 P0AD98
- Elsewhere: RCSB PDB 8Z0G · PDBe 8Z0G · UniProt P0AD98
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