MolNFT v1 · #84463 · protein + DNA
Crystal structure of full-length E.COLI DNA mismatch repair protein muts D835R mutant in complex with gt mismatched DNA
3ZLJ: “Crystal structure of full-length E.COLI DNA mismatch repair protein muts D835R mutant in complex with gt…”. X-ray diffraction, 19 pockets (best druggability 0.81). MolNFT v1 #84463 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3ZLJ
- Type
- protein + DNA
- Length
- 1,619 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein muts; 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP…
- UniProt
- P23909
- Pockets
- 19 · best druggability 0.81
Structure
x-ray diffraction · 5 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA mismatch repair protein muts | protein | 778 | 47% helix, 18% strand | P23909 |
| B | DNA mismatch repair protein muts | protein | 743 | 48% helix, 17% strand | P23909 |
| C, D | DNA mismatch repair protein muts | protein | 31 | 65% helix, 0% strand | P23909 |
| E | 5'-D(*AP*GP*CP*TP*GP*CP*CP*AP*GP*GP*CP*AP*CP*CP *AP*GP*TP*GP*TP*CP*AP)-3' | dna | 19 | — | — |
| F | 5'-D(*TP*GP*AP*CP*AP*CP*TP*GP*GP*TP*GP*CP*TP*TP *GP*GP*CP*AP*GP*CP*TP)-3' | dna | 17 | — | — |
Pockets
19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 999 | 0.81 | 0.82 | 117 | empty |
| 2 | 918 | 0.77 | 0.80 | 89 | empty |
| 3 | 954 | 0.76 | 0.78 | 112 | empty |
| 4 | 277 | 0.69 | 0.84 | 30 | empty |
| 5 | 484 | 0.63 | 0.76 | 35 | empty |
Interfaces
8 interfaces between chains.
- A–B · 2661 Ų buried · 29 hydrogen bonds · protein-protein
- E–F · 832 Ų buried · 78 hydrogen bonds · nucleic-nucleic
- C–D · 808 Ų buried · 2 hydrogen bonds · protein-protein
- A–F · 656 Ų buried · 15 hydrogen bonds · protein-nucleic
- A–E · 649 Ų buried · 12 hydrogen bonds · protein-nucleic
Compared structures
- 3ZLJ · Crystal structure of full-length E.COLI DNA mismatch repair protein muts D835R mutant in… · the same entry in another collection · chain F against F, TM-score 1.00
- P23909 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein muts (P23909) · a predicted model of the same protein · chain A 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 P23909
- Elsewhere: RCSB PDB 3ZLJ · PDBe 3ZLJ · UniProt P23909
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