Research workbench
Crystal structure of mutant marr C80S from E.COLI complexed with operator DNA
Analyse Crystal structure of mutant marr C80S from E.COLI complexed with operator DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5H3R
- Type
- protein + DNA
- Length
- 323 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'- D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)- 3'); DNA (5'…
- UniProt
- P27245
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 68% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | DNA (5'- D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*AP*TP*AP*TP*T)- 3') | dna | 21 | — | — |
| D | DNA (5'- D(*GP*AP*AP*TP*AP*TP*TP*GP*CP*CP*CP*AP*GP*GP*CP*AP*AP*GP*TP*AP*T)- 3') | dna | 21 | — | — |
| A | Multiple antibiotic resistance protein marr | protein | 141 | 67% helix, 8% strand | P27245 |
| B | Multiple antibiotic resistance protein marr | protein | 140 | 69% helix, 12% strand | P27245 |
Pockets
4 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 | 0.82 | 0.83 | 67 | empty |
| 2 | 56 | 0.25 | 0.73 | 13 | empty |
| 3 | 56 | 0.24 | 0.72 | 11 | empty |
| 4 | 54 | 0.24 | 0.72 | 13 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2964 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 887 Ų buried · 95 hydrogen bonds · nucleic-nucleic
- D–A · 508 Ų buried · 9 hydrogen bonds · protein-nucleic
- C–A · 476 Ų buried · 8 hydrogen bonds · protein-nucleic
- C–B · 471 Ų buried · 5 hydrogen bonds · protein-nucleic
Compared structures
- 5H3R · Crystal Structure of mutant MarR C80S from E.coli complexed with operator DNA · the same entry in another collection · chain C against C, TM-score 1.00
- P27245 · AlphaFold monomer V2.0 prediction for multiple antibiotic resistance protein marr (P27245) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P27245
- Elsewhere: RCSB PDB 5H3R · PDBe 5H3R · UniProt P27245
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