MolNFT v1 · #59821 · protein
Crystal structure of the substrate binding protein of the ABC transporter from agrobacterium tumefaciens
3C9H · ABC transporter, substrate binding protein: “Crystal structure of the substrate binding protein of the ABC transporter from agrobacterium tumefaciens”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.72). MolNFT v1…
- 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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