MolNFT v1 · #102197 · protein
Crystal structure of the second substrate binding domain of a putative amino acid ABC transporter from streptococcus pneumoniae canada MDR_19A
4OEN · Second substrate binding domain of putative amino acid ABC…: “Crystal structure of the second substrate binding domain of a putative amino acid ABC transporter from…”. X-ray diffraction, 2 ligands (CL, SO4), 3 pockets (best…
- PDB
- 4OEN
- Type
- protein
- Length
- 442 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Second substrate binding domain of putative amino acid ABC transporter
- Ligands
- CL, SO4
- Pockets
- 3 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Second substrate binding domain of putative amino acid ABC transporter | protein | 220 | 40% helix, 25% strand | — |
| B | Second substrate binding domain of putative amino acid ABC transporter | protein | 222 | 39% helix, 25% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 8 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 159 | 0.47 | 0.76 | 27 | ACT |
| 2 | 91 | 0.40 | 0.77 | 20 | ACT |
| 3 | 111 | 0.37 | 0.74 | 30 | ACT |
Interfaces
1 interface between chains.
- A–B · 160 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4OEN · Crystal structure of the second substrate binding domain of a putative amino acid ABC… · 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
- Elsewhere: RCSB PDB 4OEN · PDBe 4OEN
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