Research workbench
Crystal structure of PA4674 in complex with its operator DNA (28BP) from pseudomonas aeruginosa
Analyse Crystal structure of PA4674 in complex with its operator DNA (28BP) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6JPI
- Type
- protein + DNA
- Length
- 425 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth CRO/C1-type domain-containing protein; DNA (28-mer)
- UniProt
- Q9HVC1
- Pockets
- 9 · best druggability 0.76
Structure
x-ray diffraction · 5 distinct chains · 63% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth CRO/C1-type domain-containing protein | protein | 92 | 66% helix, 0% strand | Q9HVC1 |
| B, D | Hth CRO/C1-type domain-containing protein | protein | 93 | 59% helix, 0% strand | Q9HVC1 |
| C | Hth CRO/C1-type domain-containing protein | protein | 91 | 64% helix, 0% strand | Q9HVC1 |
| E | DNA (28-mer) | dna | 28 | — | — |
| F | DNA (28-mer) | dna | 28 | — | — |
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 831 | 0.76 | 0.81 | 53 | empty |
| 2 | 622 | 0.69 | 0.78 | 39 | empty |
| 3 | 113 | 0.39 | 0.76 | 15 | empty |
| 4 | 91 | 0.36 | 0.76 | 16 | empty |
| 5 | 79 | 0.33 | 0.75 | 17 | empty |
Interfaces
11 interfaces between chains.
- A–B · 1481 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1474 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 1235 Ų buried · 115 hydrogen bonds · nucleic-nucleic
- B–E · 323 Ų buried · 8 hydrogen bonds · protein-nucleic
- C–F · 322 Ų buried · 6 hydrogen bonds · protein-nucleic
Compared structures
- 6JPI · Crystal structure of PA4674 in complex with its operator DNA (28bp) from Pseudomonas… · the same entry in another collection · chain B against B, 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 Q9HVC1
- Elsewhere: RCSB PDB 6JPI · PDBe 6JPI · UniProt Q9HVC1
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