MolNFT v1 · #93541 · protein
Crystal structure of an amino acid ABC transporter substrate-binding protein from streptococcus pneumoniae canada MDR_19A bound to L- arginine, form 2
4H5G · Amino acid ABC superfamily ATP binding cassette…: “Crystal structure of an amino acid ABC transporter substrate-binding protein from streptococcus pneumoniae…”. X-ray diffraction, 2 ligands (ARG, SO4), 3 pockets (best druggability…
- PDB
- 4H5G
- Type
- protein
- Length
- 480 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amino acid ABC superfamily ATP binding cassette transporter, binding protein
- UniProt
- D6ZRZ2
- Ligands
- ARG, SO4
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Amino acid ABC superfamily ATP binding cassette transporter, binding protein | protein | 240 | 40% helix, 25% strand | D6ZRZ2 |
Ligands and binding sites
- ARG · Arginine · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A
- GOL · Glycerol · additive · 2 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.55 | 0.74 | 42 | GOL |
| 2 | 132 | 0.45 | 0.77 | 31 | empty |
| 3 | 51 | 0.28 | 0.75 | 13 | PEG |
Interfaces
1 interface between chains.
- A–B · 256 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4H5G · Crystal structure of an amino acid ABC transporter substrate-binding protein from… · 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 D6ZRZ2
- Elsewhere: RCSB PDB 4H5G · PDBe 4H5G · UniProt D6ZRZ2
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