MolNFT v1 · #111662 · protein
Structure of thermotoga maritima disa in complex with apcpp
4YXJ · DNA integrity scanning protein disa: “Structure of thermotoga maritima disa in complex with apcpp”. X-ray diffraction, 1 ligand (APC), 5 pockets (best druggability 0.77). MolNFT v1 #111662 on GenesisL1: 3D structure, binding sites…
- PDB
- 4YXJ
- Type
- protein
- Length
- 698 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA integrity scanning protein disa
- EC
- 2.7.7.85
- UniProt
- Q9WY43
- Ligands
- APC
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA integrity scanning protein disa (EC 2.7.7.85) | protein | 349 | 58% helix, 13% strand | Q9WY43 |
Ligands and binding sites
- APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 774 | 0.77 | 0.81 | 76 | APC |
| 2 | 97 | 0.37 | 0.75 | 23 | empty |
| 3 | 83 | 0.35 | 0.75 | 16 | empty |
| 4 | 78 | 0.32 | 0.74 | 20 | empty |
| 5 | 60 | 0.29 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 460 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4YXJ · Structure of Thermotoga maritima DisA in complex with ApCpp · the same entry in another collection · chain A against A, TM-score 1.00
- Q9WY43 · AlphaFold monomer V2.0 prediction for DNA integrity scanning protein disa (Q9WY43) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q9WY43
- Elsewhere: RCSB PDB 4YXJ · PDBe 4YXJ · UniProt Q9WY43
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