MolNFT v1 · #144280 · protein + DNA
Human APE1 substrate complex with an A/C mismatch adjacent the thf
6BOS · DNA-(apurinic or apyrimidinic site) lyase: “Human APE1 substrate complex with an A/C mismatch adjacent the thf”. X-ray diffraction, 9 pockets (best druggability 0.66). MolNFT v1 #144280 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6BOS
- Type
- protein + DNA
- Length
- 583 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-(apurinic or apyrimidinic site) lyase; 21-mer DNA
- EC
- 3.1.-.-, 4.2.99.18
- UniProt
- P27695
- Pockets
- 9 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-, 4.2.99.18) | protein | 275 | 29% helix, 24% strand | P27695 |
| B | DNA-(apurinic or apyrimidinic site) lyase (EC 3.1.-.-, 4.2.99.18) | protein | 266 | 32% helix, 25% strand | P27695 |
| P | 21-mer DNA | dna | 21 | — | — |
| V | 21-mer DNA | dna | 21 | — | — |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 396 | 0.66 | 0.79 | 34 | empty |
| 2 | 236 | 0.53 | 0.77 | 31 | empty |
| 3 | 223 | 0.53 | 0.77 | 28 | empty |
| 4 | 97 | 0.48 | 0.81 | 19 | empty |
| 5 | 160 | 0.47 | 0.77 | 32 | empty |
Interfaces
4 interfaces between chains.
- P–V · 916 Ų buried · 85 hydrogen bonds · nucleic-nucleic
- A–B · 758 Ų buried · 11 hydrogen bonds · protein-protein
- A–P · 708 Ų buried · 10 hydrogen bonds · protein-nucleic
- A–V · 578 Ų buried · 7 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 6BOS · Human APE1 substrate complex with an A/C mismatch adjacent the THF · the same entry in another collection · chain A against A, TM-score 1.00
- P27695 · AlphaFold monomer V2.0 prediction for DNA-(apurinic or apyrimidinic site) endonuclease… · a predicted model of the same protein · chain B 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 P27695
- Elsewhere: RCSB PDB 6BOS · PDBe 6BOS · UniProt P27695
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