Research workbench
Crystal structure of the substrate binding protein of the ABC transporter from agrobacterium tumefaciens
Analyse Crystal structure of the substrate binding protein of the ABC transporter from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3C9H
- Type
- protein
- Length
- 673 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter, substrate binding protein
- UniProt
- Q7CWZ6
- Ligands
- MG
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter, substrate binding protein | protein | 334 | 45% helix, 22% strand | Q7CWZ6 |
| B | ABC transporter, substrate binding protein | protein | 339 | 45% helix, 22% strand | Q7CWZ6 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 820 | 0.72 | 0.77 | 100 | MG, CIT |
| 2 | 413 | 0.57 | 0.74 | 52 | empty |
| 3 | 97 | 0.42 | 0.77 | 17 | empty |
| 4 | 94 | 0.40 | 0.76 | 15 | empty |
| 5 | 55 | 0.39 | 0.81 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 452 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3C9H · Crystal structure of the substrate binding protein of the ABC transporter 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 Q7CWZ6
- Elsewhere: RCSB PDB 3C9H · PDBe 3C9H · UniProt Q7CWZ6
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