Research workbench
Crystal structure of rova from yersinia in complex with an invasin promoter fragment
Analyse Crystal structure of rova from yersinia in complex with an invasin promoter… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AIK
- Type
- protein + DNA
- Length
- 323 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator slya; Rova promoter fragment, 5'-D(*AP*TP*GP*AP*TP*AP*TP*TP…
- UniProt
- B1JJ73
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 70% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator slya | protein | 139 | 69% helix, 7% strand | B1JJ73 |
| B | Transcriptional regulator slya | protein | 142 | 70% helix, 7% strand | B1JJ73 |
| C | Rova promoter fragment, 5'-D(*AP*TP*GP*AP*TP*AP*TP*TP *AP*TP**TP*TP*AP*TP*AP*TP*GP*AP*TP*AP*A)-3' | dna | 21 | — | — |
| D | Rova promoter fragment, 5'-D(*TP*TP*TP*AP*TP*CP*AP*TP *AP*TP*AP*AP*AP*TP*AP*AP*TP*AP*TP*CP*A)-3' | dna | 21 | — | — |
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 | 1033 | 0.77 | 0.79 | 77 | empty |
| 2 | 74 | 0.32 | 0.75 | 15 | empty |
| 3 | 57 | 0.32 | 0.77 | 15 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2394 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 879 Ų buried · 80 hydrogen bonds · nucleic-nucleic
- A–D · 477 Ų buried · 4 hydrogen bonds · protein-nucleic
- A–C · 474 Ų buried · 11 hydrogen bonds · protein-nucleic
- B–C · 117 Ų buried · 2 hydrogen bonds · protein-nucleic
Compared structures
- 4AIK · Crystal structure of RovA from Yersinia in complex with an invasin promoter fragment · the same entry in another collection · chain A against A, TM-score 1.00
- B1JJ73 · AlphaFold monomer V2.0 prediction for transcriptional regulator slya (B1JJ73) · 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 B1JJ73
- Elsewhere: RCSB PDB 4AIK · PDBe 4AIK · UniProt B1JJ73
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