MolNFT v1 · #14061 · protein + DNA
Crystal structure of the intein homing endonuclease pi-scei bound to its substrate DNA (CA2+ free)
1LWT · Pi-scei DNA substrate top strand: “Crystal structure of the intein homing endonuclease pi-scei bound to its substrate DNA (CA2+ free)”. X-ray diffraction, 8 pockets (best druggability 0.76). MolNFT v1 #14061 on GenesisL1: 3D…
- PDB
- 1LWT
- Type
- protein + DNA
- Length
- 522 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pi-scei DNA substrate top strand; Pi-scei DNA substrate bottom strand; Endonuclease…
- EC
- 3.1.-.-
- UniProt
- P17255
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 25% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Pi-scei DNA substrate top strand | dna | 37 | — | — |
| C | Pi-scei DNA substrate bottom strand | dna | 37 | — | — |
| A | Endonuclease pi-scei (EC 3.1.-.-) | protein | 448 | 25% helix, 33% strand | P17255 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 816 | 0.76 | 0.80 | 74 | empty |
| 2 | 466 | 0.66 | 0.78 | 34 | empty |
| 3 | 240 | 0.64 | 0.82 | 27 | empty |
| 4 | 158 | 0.53 | 0.80 | 29 | empty |
| 5 | 62 | 0.51 | 0.86 | 17 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1628 Ų buried · 126 hydrogen bonds · nucleic-nucleic
- C–A · 1572 Ų buried · 26 hydrogen bonds · protein-nucleic
- B–A · 1470 Ų buried · 30 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 1LWT · Crystal structure of the intein homing endonuclease PI-SceI bound to its substrate DNA… · the same entry in another collection · chain B against B, TM-score 1.00
- P17255 · AlphaFold monomer V2.0 prediction for V-type proton ATPase catalytic subunit a (P17255) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P17255
- Elsewhere: RCSB PDB 1LWT · PDBe 1LWT · UniProt P17255
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