MolNFT v1 · #98324 · protein + DNA
Crystal structure of pseudomonas aeruginosa transcriptional regulator PA2196 bound to its operator DNA
4L62: “Crystal structure of pseudomonas aeruginosa transcriptional regulator PA2196 bound to its operator DNA”. X-ray diffraction, 20 pockets (best druggability 0.73). MolNFT v1 #98324 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4L62
- Type
- protein + DNA
- Length
- 3,216 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator; DNA (25-mer)
- UniProt
- Q9I1S1
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, H, I, K, M, O | Transcriptional regulator | protein | 190 | 76% helix, 0% strand | Q9I1S1 |
| B, D, F, G, J, L, N, P | Transcriptional regulator | protein | 187 | 75% helix, 0% strand | Q9I1S1 |
| Q, S, U, W | DNA (25-mer) | dna | 25 | — | — |
| R, T, V, X | DNA (25-mer) | dna | 25 | — | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 460 | 0.73 | 0.83 | 48 | empty |
| 2 | 313 | 0.71 | 0.84 | 38 | empty |
| 3 | 305 | 0.71 | 0.85 | 33 | empty |
| 4 | 269 | 0.71 | 0.85 | 36 | empty |
| 5 | 270 | 0.71 | 0.85 | 34 | empty |
Interfaces
65 interfaces between chains.
- C–D · 1872 Ų buried · 24 hydrogen bonds · protein-protein
- G–H · 1859 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1854 Ų buried · 24 hydrogen bonds · protein-protein
- M–N · 1851 Ų buried · 28 hydrogen bonds · protein-protein
- O–P · 1846 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4L62 · Crystal Structure of Pseudomonas aeruginosa transcriptional regulator PA2196 bound to its… · 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 Q9I1S1
- Elsewhere: RCSB PDB 4L62 · PDBe 4L62 · UniProt Q9I1S1
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