Research workbench
Crystal structure of ABC transporter substrate binding protein prox from agrobacterium tumefaciens cocrystalized with btb
Analyse Crystal structure of ABC transporter substrate binding protein prox from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NE4
- Type
- protein
- Length
- 281 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter, substrate binding protein (PROLINE/GLYCINE/BETAINE)
- UniProt
- A9CKK7
- Ligands
- CL
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter, substrate binding protein (PROLINE/GLYCINE/BETAINE) | protein | 281 | 49% helix, 19% strand | A9CKK7 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 199 | 0.48 | 0.75 | 36 | BTB |
| 2 | 92 | 0.39 | 0.77 | 22 | empty |
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 4NE4 · Crystal structure of ABC transporter substrate binding protein ProX from Agrobacterium… · 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 A9CKK7
- Elsewhere: RCSB PDB 4NE4 · PDBe 4NE4 · UniProt A9CKK7
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