MolNFT v1 · #158401 · protein + DNA
Tetr family transcriptional regulator cifr C99T-C181R cysteine mutant complexed with 26BP double-strand operator DNA and apo-cifr C99T- C181R
6NSR: “Tetr family transcriptional regulator cifr C99T-C181R cysteine mutant complexed with 26BP double-strand…”. X-ray diffraction, 11 pockets (best druggability 0.71). MolNFT v1 #158401 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6NSR
- Type
- protein + DNA
- Length
- 622 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetr family transcriptional regulator cifr C99T-C181R cysteine mutant; DNA (26-mer)
- UniProt
- A0A0F6UBT4
- Pockets
- 11 · best druggability 0.71
Structure
x-ray diffraction · 5 distinct chains · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetr family transcriptional regulator cifr C99T-C181R cysteine mutant | protein | 192 | 72% helix, 0% strand | A0A0F6UBT4 |
| B | Tetr family transcriptional regulator cifr C99T-C181R cysteine mutant | protein | 191 | 72% helix, 0% strand | A0A0F6UBT4 |
| C | DNA (26-mer) | dna | 26 | — | — |
| D | DNA (26-mer) | dna | 26 | — | — |
| M | Tetr family transcriptional regulator cifr C99T-C181R cysteine mutant | protein | 187 | 66% helix, 0% strand | A0A0F6UBT4 |
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 56 | 0.71 | 0.98 | 22 | empty |
| 2 | 68 | 0.71 | 0.96 | 22 | empty |
| 3 | 62 | 0.71 | 0.97 | 28 | empty |
| 4 | 545 | 0.69 | 0.79 | 32 | empty |
| 5 | 477 | 0.65 | 0.78 | 36 | empty |
Interfaces
8 interfaces between chains.
- A–B · 1837 Ų buried · 28 hydrogen bonds · protein-protein
- C–D · 1110 Ų buried · 97 hydrogen bonds · nucleic-nucleic
- A–D · 499 Ų buried · 6 hydrogen bonds · protein-nucleic
- A–C · 472 Ų buried · 5 hydrogen bonds · protein-nucleic
- B–C · 462 Ų buried · 6 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 6NSR · TetR family transcriptional regulator CifR C99T-C181R cysteine mutant complexed with 26bp… · 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 A0A0F6UBT4
- Elsewhere: RCSB PDB 6NSR · PDBe 6NSR · UniProt A0A0F6UBT4
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