MolNFT v1 · #87840 · protein
RNNTPDASE2 X4 variant in complex with psb-071
4CD3 · Ectonucleoside triphosphate diphosphohydrolase 2: “RNNTPDASE2 X4 variant in complex with psb-071”. X-ray diffraction, 1 ligand (8E9), 3 pockets (best druggability 0.70). MolNFT v1 #87840 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4CD3
- Type
- protein
- Length
- 421 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ectonucleoside triphosphate diphosphohydrolase 2
- EC
- 3.6.1.-, 3.6.1.5
- UniProt
- O35795
- Ligands
- 8E9
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ectonucleoside triphosphate diphosphohydrolase 2 (EC 3.6.1.-, 3.6.1.5) | protein | 421 | 41% helix, 24% strand | O35795 |
Ligands and binding sites
- 8E9 · 1-amino-4-(3-methylphenyl)amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate · ligand · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 344 | 0.70 | 0.83 | 46 | 8E9 |
| 2 | 304 | 0.53 | 0.74 | 35 | empty |
| 3 | 55 | 0.37 | 0.79 | 12 | GOL |
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
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 O35795
- Elsewhere: RCSB PDB 4CD3 · PDBe 4CD3 · UniProt O35795
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