MolNFT v1 · #59753 · protein
Crystal structure of transcriptional regulator (gntr family member) from pseudomonas syringae pv. tomato str. DC3000
3C7J · Transcriptional regulator, gntr family: “Crystal structure of transcriptional regulator (gntr family member) from pseudomonas syringae pv. tomato str.…”. X-ray diffraction, 1 ligand (NI), 8 pockets (best druggability 0.67). MolNFT…
- PDB
- 3C7J
- Type
- protein
- Length
- 464 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, gntr family
- UniProt
- Q87U60
- Ligands
- NI
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, gntr family | protein | 237 | 73% helix, 4% strand | Q87U60 |
| B | Transcriptional regulator, gntr family | protein | 227 | 73% helix, 4% strand | Q87U60 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.67 | 0.82 | 29 | empty |
| 2 | 466 | 0.60 | 0.75 | 35 | empty |
| 3 | 489 | 0.59 | 0.74 | 37 | empty |
| 4 | 214 | 0.54 | 0.78 | 23 | empty |
| 5 | 87 | 0.50 | 0.82 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1150 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3C7J · Crystal structure of transcriptional regulator (GntR family member) from Pseudomonas… · 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 Q87U60
- Elsewhere: RCSB PDB 3C7J · PDBe 3C7J · UniProt Q87U60
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