MolNFT v1 · #48721 · protein
Crystal structure of rhodobacter sphaeroides sige in complex with the anti-sigma chrr
2Q1Z · Rpoe, ecf sige: “Crystal structure of rhodobacter sphaeroides sige in complex with the anti-sigma chrr”. X-ray diffraction, 1 ligand (ZN), 11 pockets (best druggability 0.81). MolNFT v1 #48721 on GenesisL1: 3D structure, binding…
- PDB
- 2Q1Z
- Type
- protein
- Length
- 706 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rpoe, ecf sige; Anti-sigma factor chrr, transcriptional activator chrr
- UniProt
- Q3IYV6, P40685
- Ligands
- ZN
- Pockets
- 11 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rpoe, ecf sige | protein | 176 | 63% helix, 0% strand | Q3IYV6 |
| B | Anti-sigma factor chrr, transcriptional activator chrr | protein | 185 | 29% helix, 22% strand | P40685 |
| C | Rpoe, ecf sige | protein | 164 | 55% helix, 0% strand | Q3IYV6 |
| D | Anti-sigma factor chrr, transcriptional activator chrr | protein | 181 | 30% helix, 23% strand | P40685 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 233 | 0.81 | 0.94 | 29 | empty |
| 2 | 609 | 0.80 | 0.85 | 60 | empty |
| 3 | 78 | 0.65 | 0.91 | 21 | empty |
| 4 | 104 | 0.63 | 0.88 | 33 | empty |
| 5 | 323 | 0.57 | 0.76 | 33 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2902 Ų buried · 37 hydrogen bonds · protein-protein
- C–D · 2587 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 701 Ų buried · 14 hydrogen bonds · protein-protein
- A–D · 561 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 92 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2Q1Z · Crystal Structure of Rhodobacter sphaeroides SigE in complex with the anti-sigma ChrR · the same entry in another collection · chain D against D, TM-score 1.00
- P40685 · AlphaFold monomer V2.0 prediction for anti-sigma-E factor chrr (P40685) · a predicted model of the same protein · chain D against A, TM-score 0.99
- Q3IYV6 · AlphaFold monomer V2.0 prediction for ecf RNA polymerase sigma factor rpoe (Q3IYV6) · a predicted model of the same protein · chain C against A, TM-score 0.58
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 Q3IYV6
- Every structure of UniProt P40685
- Elsewhere: RCSB PDB 2Q1Z · PDBe 2Q1Z · UniProt Q3IYV6 · UniProt P40685
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