MolNFT v1 · #35603 · protein
Crystal structure of the truncated extracellular domain of mouse CD38
2EG9 · ADP-ribosyl cyclase 1: “Crystal structure of the truncated extracellular domain of mouse CD38”. X-ray diffraction, 5 pockets (best druggability 0.59). MolNFT v1 #35603 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2EG9
- Type
- protein
- Length
- 424 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ADP-ribosyl cyclase 1
- EC
- 3.2.2.5
- UniProt
- P56528
- Pockets
- 5 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ADP-ribosyl cyclase 1 (EC 3.2.2.5) | protein | 213 | 42% helix, 13% strand | P56528 |
| B | ADP-ribosyl cyclase 1 (EC 3.2.2.5) | protein | 211 | 36% helix, 14% strand | P56528 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.59 | 0.90 | 14 | empty |
| 2 | 214 | 0.50 | 0.76 | 30 | empty |
| 3 | 62 | 0.33 | 0.76 | 14 | empty |
| 4 | 71 | 0.32 | 0.75 | 14 | empty |
| 5 | 52 | 0.31 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 608 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 2EG9 · Crystal structure of the truncated extracellular domain of mouse CD38 · the same entry in another collection · chain A against A, TM-score 1.00
- P56528 · AlphaFold monomer V2.0 prediction for ADP-ribosyl CYCLASE/CYCLIC ADP- ribose hydrolase 1… · 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 P56528
- Elsewhere: RCSB PDB 2EG9 · PDBe 2EG9 · UniProt P56528
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