MolNFT v1 · #109711 · protein
Crystal structure of thermus thermophilus card in complex with the thermus aquaticus RNA polymerase BETA1 domain
4XAX · DNA-directed RNA polymerase subunit beta domain 1: “Crystal structure of thermus thermophilus card in complex with the thermus aquaticus RNA polymerase BETA1…”. X-ray diffraction, 3 pockets (best druggability 0.63). MolNFT v1…
- PDB
- 4XAX
- Type
- protein
- Length
- 342 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-directed RNA polymerase subunit beta domain 1; Card
- EC
- 2.7.7.6
- UniProt
- Q9KWU7, Q5SLX5
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-directed RNA polymerase subunit beta domain 1 (EC 2.7.7.6) | protein | 184 | 35% helix, 23% strand | Q9KWU7 |
| B | Card | protein | 158 | 48% helix, 21% strand | Q5SLX5 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 5 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.63 | 0.83 | 44 | EDO |
| 2 | 127 | 0.43 | 0.76 | 18 | empty |
| 3 | 53 | 0.33 | 0.78 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 662 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4XAX · Crystal structure of Thermus thermophilus CarD in complex with the Thermus aquaticus RNA… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9KWU7 · AlphaFold monomer V2.0 prediction for DNA-directed RNA polymerase subunit beta (Q9KWU7) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q9KWU7
- Every structure of UniProt Q5SLX5
- Elsewhere: RCSB PDB 4XAX · PDBe 4XAX · UniProt Q9KWU7 · UniProt Q5SLX5
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