Research workbench
Crystal structure of putative marr family transcriptional regulator from listeria monocytogenes complexed with 26MER DNA
Analyse Crystal structure of putative marr family transcriptional regulator from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Q2B
- Type
- protein + DNA
- Length
- 352 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Marr family transcriptional regulator; DNA (26-mer)
- UniProt
- A0A418S1M8
- Pockets
- 9 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 65% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Marr family transcriptional regulator | protein | 150 | 65% helix, 7% strand | A0A418S1M8 |
| C, D | DNA (26-mer) | dna | 26 | — | — |
Ligands and binding sites
- ACY · Acetic acid · additive · 2 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 390 | 0.84 | 0.92 | 42 | empty |
| 2 | 76 | 0.70 | 0.95 | 19 | empty |
| 3 | 72 | 0.68 | 0.94 | 18 | empty |
| 4 | 488 | 0.66 | 0.78 | 43 | empty |
| 5 | 297 | 0.59 | 0.78 | 32 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3492 Ų buried · 33 hydrogen bonds · protein-protein
- C–D · 1189 Ų buried · 116 hydrogen bonds · nucleic-nucleic
- A–C · 728 Ų buried · 14 hydrogen bonds · protein-nucleic
- B–D · 696 Ų buried · 16 hydrogen bonds · protein-nucleic
- A–D · 579 Ų buried · 12 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 6Q2B · Crystal Structure of Putative MarR Family Transcriptional Regulator from Listeria… · the same entry in another collection · chain A against A, 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 A0A418S1M8
- Elsewhere: RCSB PDB 6Q2B · PDBe 6Q2B · UniProt A0A418S1M8
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