MolNFT v1 · #177784 · protein
Crystal structure of crp protein from gardnerella vaginalis
7ETS · CRP/FNR family transcriptional regulator: “Crystal structure of crp protein from gardnerella vaginalis”. X-ray diffraction, 1 ligand (NA), 4 pockets (best druggability 0.82). MolNFT v1 #177784 on GenesisL1: 3D structure, binding…
- PDB
- 7ETS
- Type
- protein
- Length
- 443 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CRP/FNR family transcriptional regulator
- UniProt
- A0A0J8F7K9
- Ligands
- NA
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CRP/FNR family transcriptional regulator | protein | 221 | 43% helix, 24% strand | A0A0J8F7K9 |
| B | CRP/FNR family transcriptional regulator | protein | 222 | 42% helix, 26% strand | A0A0J8F7K9 |
Ligands and binding sites
- NA · Sodium ion · metal · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 515 | 0.82 | 0.88 | 60 | NA |
| 2 | 502 | 0.81 | 0.88 | 55 | empty |
| 3 | 63 | 0.45 | 0.82 | 13 | empty |
| 4 | 95 | 0.34 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1919 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7ETS · Crystal structure of crp protein from Gardnerella Vaginalis · 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 A0A0J8F7K9
- Elsewhere: RCSB PDB 7ETS · PDBe 7ETS · UniProt A0A0J8F7K9
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