Research workbench
1.0 ångström resolution crystal structure of the branched-chain amino acid transporter substrate binding protein livj from streptococcus pneumoniae str. canada MDR_19A in complex with isoleucine
Analyse 1.0 ångström resolution crystal structure of the branched-chain amino acid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GNR
- Type
- protein
- Length
- 348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter substrate-binding protein-branched chain amino acid transport
- UniProt
- C1CQL0
- Ligands
- ILE, MG, CL
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter substrate-binding protein-branched chain amino acid transport | protein | 348 | 41% helix, 21% strand | C1CQL0 |
Ligands and binding sites
- ILE · Isoleucine · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · 2 copies · 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 | 270 | 0.63 | 0.81 | 36 | empty |
| 2 | 88 | 0.36 | 0.75 | 22 | empty |
Modifications
Observed in the structure: 1 modified (methylation).
Compared structures
- 4GNR · 1.0 Angstrom resolution crystal structure of the branched-chain amino acid transporter… · 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 C1CQL0
- Elsewhere: RCSB PDB 4GNR · PDBe 4GNR · UniProt C1CQL0
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