MolNFT v1 · #22370 · protein + DNA
Human O6-alkylguanine-DNA alkyltransferase bound to DNA containing O6- methylguanine
1T38 · 5'-D(*GP*CP*CP*AP*TP*GP*(6OG)P*CP*TP*AP*GP*TP*A)-3': “Human O6-alkylguanine-DNA alkyltransferase bound to DNA containing O6- methylguanine”. X-ray diffraction, 3 pockets (best druggability 0.50). MolNFT v1 #22370 on GenesisL1: 3D…
- PDB
- 1T38
- Type
- protein + DNA
- Length
- 177 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*GP*CP*CP*AP*TP*GP*(6OG)P*CP*TP*AP*GP*TP*A)-3'…
- EC
- 2.1.1.63
- UniProt
- P16455
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(*GP*CP*CP*AP*TP*GP*(6OG)P*CP*TP*AP*GP*TP*A)-3' | dna | 13 | — | — |
| C | 5'-D(*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3' | dna | 13 | — | — |
| A | Methylated-DNA--protein-cysteine methyltransferase (EC 2.1.1.63) | protein | 151 | 38% helix, 17% strand | P16455 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.50 | 0.78 | 24 | empty |
| 2 | 73 | 0.48 | 0.83 | 15 | empty |
| 3 | 62 | 0.29 | 0.75 | 11 | empty |
Interfaces
3 interfaces between chains.
- B–A · 610 Ų buried · 17 hydrogen bonds · protein-nucleic
- B–C · 542 Ų buried · 41 hydrogen bonds · nucleic-nucleic
- C–A · 324 Ų buried · 5 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 1T38 · Human O6-alkylguanine-DNA alkyltransferase bound to DNA containing O6-methylguanine · the same entry in another collection · chain B against B, TM-score 1.00
- P16455 · AlphaFold monomer V2.0 prediction for methylated-DNA--protein- cysteine methyltransferase… · 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 P16455
- Elsewhere: RCSB PDB 1T38 · PDBe 1T38 · UniProt P16455
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.