Research workbench
Structure of agrobacterium tumefaciens C58 strain pbp attc in open unliganded conformation
Analyse Structure of agrobacterium tumefaciens C58 strain pbp attc in open unliganded… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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