MolNFT v1 · #120549 · protein + DNA
Crystal structure of mutant marr C80S from E.COLI complexed with operator DNA
5H3R · DNA (5'- D(*CP*AP*TP*AP*CP*TP*TP*GP*CP*CP*TP*GP*GP*GP*CP*AP*…: “Crystal structure of mutant marr C80S from E.COLI complexed with operator DNA”. X-ray diffraction, 4 pockets (best druggability 0.82). MolNFT v1 #120549 on GenesisL1…
- 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
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.