MolNFT v1 · #101001 · protein
Crystal structure of ABC transporter substrate binding protein prox from agrobacterium tumefaciens cocrystalized with btb
4NE4 · ABC transporter, substrate binding protein…: “Crystal structure of ABC transporter substrate binding protein prox from agrobacterium tumefaciens…”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.48). MolNFT v1…
- 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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