MolNFT v1 · #141345 · protein
Crystal structure of the effector-binding domain of synechococcus elongatus cmpr in complex with ribulose-1,5-bisphosphate
5Z49 · Hth-type transcriptional activator cmpr: “Crystal structure of the effector-binding domain of synechococcus elongatus cmpr in complex with…”. X-ray diffraction, 1 ligand (RUB), 3 pockets (best druggability 0.72). MolNFT v1 #141345…
- PDB
- 5Z49
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional activator cmpr
- UniProt
- Q9F1R2
- Ligands
- RUB
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A | Hth-type transcriptional activator cmpr | protein | 220 | 36% helix, 28% strand | Q9F1R2 |
Ligands and binding sites
- RUB · Ribulose-1,5-diphosphate · ligand · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 705 | 0.72 | 0.78 | 62 | RUB |
| 2 | 135 | 0.42 | 0.75 | 17 | empty |
| 3 | 79 | 0.33 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- B–A · 1666 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 5Z49 · Crystal structure of the effector-binding domain of Synechococcus elongatus CmpR in… · the same entry in another collection · chain B against B, TM-score 1.00
- Q9F1R2 · AlphaFold monomer V2.0 prediction for hth-type transcriptional activator cmpr (Q9F1R2) · a predicted model of the same protein · chain B against A, TM-score 0.87
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 Q9F1R2
- Elsewhere: RCSB PDB 5Z49 · PDBe 5Z49 · UniProt Q9F1R2
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