MolNFT v1 · #153782 · protein + DNA
Crystal structure of PA4674 in complex with its operator DNA (28BP) from pseudomonas aeruginosa
6JPI · Hth CRO/C1-type domain-containing protein: “Crystal structure of PA4674 in complex with its operator DNA (28BP) from pseudomonas aeruginosa”. X-ray diffraction, 9 pockets (best druggability 0.76). MolNFT v1 #153782 on GenesisL1: 3D…
- 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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