MolNFT v1 · #101120 · protein + DNA
Crystal structure of klebsiella pneumoniae rsta DNA-binding domain in complex with rsta box
4NHJ · DNA-binding transcriptional regulator rsta: “Crystal structure of klebsiella pneumoniae rsta DNA-binding domain in complex with rsta box”. X-ray diffraction, 5 pockets (best druggability 0.70). MolNFT v1 #101120 on GenesisL1: 3D…
- PDB
- 4NHJ
- Type
- protein + DNA
- Length
- 248 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-binding transcriptional regulator rsta; 5'-D(*GP*GP*TP*TP*GP*TP*AP*CP*AP*TP*TP*CP*CP*G…
- UniProt
- G0GNT0
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 4 distinct chains · 31% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-binding transcriptional regulator rsta | protein | 102 | 30% helix, 24% strand | G0GNT0 |
| B | DNA-binding transcriptional regulator rsta | protein | 101 | 32% helix, 25% strand | G0GNT0 |
| C | 5'-D(*GP*GP*TP*TP*GP*TP*AP*CP*AP*TP*TP*CP*CP*GP*TP*TP*AP*CP *TP*CP*CP*CP*T)-3' | dna | 22 | — | — |
| D | 5'-D(*CP*AP*GP*GP*GP*AP*GP*TP*AP*AP*CP*GP*GP*AP*AP*TP*GP*TP *AP*CP*AP*AP*C)-3' | dna | 23 | — | — |
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 | 343 | 0.70 | 0.84 | 39 | empty |
| 2 | 292 | 0.61 | 0.79 | 39 | empty |
| 3 | 141 | 0.46 | 0.77 | 17 | empty |
| 4 | 134 | 0.39 | 0.74 | 17 | empty |
| 5 | 73 | 0.31 | 0.74 | 13 | empty |
Interfaces
6 interfaces between chains.
- C–D · 965 Ų buried · 97 hydrogen bonds · nucleic-nucleic
- B–D · 496 Ų buried · 13 hydrogen bonds · protein-nucleic
- A–D · 477 Ų buried · 12 hydrogen bonds · protein-nucleic
- A–C · 439 Ų buried · 4 hydrogen bonds · protein-nucleic
- B–C · 431 Ų buried · 6 hydrogen bonds · protein-nucleic
Compared structures
- 4NHJ · Crystal structure of Klebsiella pneumoniae RstA DNA-binding domain in complex with RstA… · 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 G0GNT0
- Elsewhere: RCSB PDB 4NHJ · PDBe 4NHJ · UniProt G0GNT0
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