MolNFT v1 · #99139 · protein + DNA
Crystal structure of the complex formed by region of E. COLI sigmae bound to its -10 element non template strand
4LUP · RNA polymerase sigma factor: “Crystal structure of the complex formed by region of E. COLI sigmae bound to its -10 element non template…”. X-ray diffraction, 4 pockets (best druggability 0.58). MolNFT v1 #99139 on GenesisL1: 3D…
- PDB
- 4LUP
- Type
- protein + DNA
- Length
- 198 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA polymerase sigma factor; Region 2 of sigmae of E. COLI
- UniProt
- Q0P6M2
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RNA polymerase sigma factor | protein | 91 | 78% helix, 0% strand | Q0P6M2 |
| C | RNA polymerase sigma factor | protein | 94 | 76% helix, 0% strand | Q0P6M2 |
| B | Region 2 of sigmae of E. COLI | dna | 7 | — | — |
| D | Region 2 of sigmae of E. COLI | dna | 6 | — | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains A, 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.58 | 0.79 | 30 | empty |
| 2 | 192 | 0.48 | 0.76 | 21 | empty |
| 3 | 158 | 0.43 | 0.75 | 18 | empty |
| 4 | 117 | 0.36 | 0.73 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–B · 661 Ų buried · 15 hydrogen bonds · protein-nucleic
- C–D · 640 Ų buried · 14 hydrogen bonds · protein-nucleic
- A–C · 583 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4LUP · Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10… · 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 Q0P6M2
- Elsewhere: RCSB PDB 4LUP · PDBe 4LUP · UniProt Q0P6M2
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