MolNFT v1 · #125468 · protein
Structure of agrobacterium tumefaciens C58 strain pbp attc in open unliganded conformation
5L9S · ABC transporter, substrate binding protein (mannopine): “Structure of agrobacterium tumefaciens C58 strain pbp attc in open unliganded conformation”. X-ray diffraction, 9 pockets (best druggability 0.74). MolNFT v1 #125468 on…
- PDB
- 5L9S
- Type
- protein
- Length
- 651 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter, substrate binding protein (mannopine)
- UniProt
- A9CLM6
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter, substrate binding protein (mannopine) | protein | 326 | 47% helix, 21% strand | A9CLM6 |
| B | ABC transporter, substrate binding protein (mannopine) | protein | 325 | 49% helix, 22% strand | A9CLM6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.74 | 0.86 | 33 | empty |
| 2 | 314 | 0.71 | 0.85 | 50 | ACT |
| 3 | 407 | 0.58 | 0.75 | 32 | empty |
| 4 | 175 | 0.52 | 0.79 | 33 | empty |
| 5 | 106 | 0.46 | 0.79 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 889 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5L9S · Structure of Agrobacterium tumefaciens C58 strain PBP AttC in open unliganded conformation · 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 A9CLM6
- Elsewhere: RCSB PDB 5L9S · PDBe 5L9S · UniProt A9CLM6
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