MolNFT v1 · #156212 · protein + DNA
Crystal structure of human NEIL1(R242) bound to duplex DNA containing a C:T mismatch
6LWQ · Endonuclease 8-like 1: “Crystal structure of human NEIL1(R242) bound to duplex DNA containing a C:T mismatch”. X-ray diffraction, 12 pockets (best druggability 0.72). MolNFT v1 #156212 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6LWQ
- Type
- protein + DNA
- Length
- 837 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endonuclease 8-like 1; DNA (5'-D(*CP*GP*TP*CP*CP*AP*TP*GP*TP*CP*TP*AP*C)-3'); DNA…
- EC
- 3.2.2.-, 4.2.99.18
- UniProt
- Q96FI4
- Pockets
- 12 · best druggability 0.72
Structure
x-ray diffraction · 5 distinct chains · 29% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endonuclease 8-like 1 (EC 3.2.2.-, 4.2.99.18) | protein | 270 | 27% helix, 24% strand | Q96FI4 |
| B, E, H | DNA (5'-D(*CP*GP*TP*CP*CP*AP*TP*GP*TP*CP*TP*AP*C)-3') | dna | 13 | — | — |
| C, F, I | DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3') | dna | 13 | — | — |
| D | Endonuclease 8-like 1 (EC 3.2.2.-, 4.2.99.18) | protein | 260 | 27% helix, 25% strand | Q96FI4 |
| G | Endonuclease 8-like 1 (EC 3.2.2.-, 4.2.99.18) | protein | 229 | 32% helix, 17% strand | Q96FI4 |
Pockets
12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 911 | 0.72 | 0.77 | 78 | empty |
| 2 | 734 | 0.71 | 0.78 | 50 | empty |
| 3 | 520 | 0.66 | 0.78 | 39 | empty |
| 4 | 495 | 0.64 | 0.77 | 41 | empty |
| 5 | 558 | 0.63 | 0.75 | 42 | empty |
Interfaces
15 interfaces between chains.
- A–B · 699 Ų buried · 18 hydrogen bonds · protein-nucleic
- D–E · 680 Ų buried · 16 hydrogen bonds · protein-nucleic
- A–D · 645 Ų buried · 15 hydrogen bonds · protein-protein
- G–H · 639 Ų buried · 11 hydrogen bonds · protein-nucleic
- H–I · 538 Ų buried · 47 hydrogen bonds · nucleic-nucleic
Compared structures
- 6LWQ · Crystal structure of human NEIL1(R242) bound to duplex DNA containing a C:T mismatch · the same entry in another collection · chain I against I, TM-score 1.00
- Q96FI4 · AlphaFold monomer V2.0 prediction for endonuclease 8-like 1 (Q96FI4) · a predicted model of the same protein · chain G against A, TM-score 0.99
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 Q96FI4
- Elsewhere: RCSB PDB 6LWQ · PDBe 6LWQ · UniProt Q96FI4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.