Research workbench
Structural basis for the mechanistic understanding human CD38 controlled multiple catalysis
Analyse Structural basis for the mechanistic understanding human CD38 controlled… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2I67
- Type
- protein
- Length
- 500 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
- P28907
- Ligands
- APR
- Pockets
- 8 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ADP-ribosyl cyclase 1 (EC 3.2.2.5) | protein | 252 | 43% helix, 13% strand | P28907 |
| B | ADP-ribosyl cyclase 1 (EC 3.2.2.5) | protein | 248 | 42% helix, 14% strand | P28907 |
Ligands and binding sites
- APR · Adenosine-5-diphosphoribose · ligand · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.61 | 0.77 | 41 | APR |
| 2 | 296 | 0.58 | 0.77 | 41 | APR |
| 3 | 106 | 0.56 | 0.84 | 15 | empty |
| 4 | 120 | 0.55 | 0.82 | 17 | empty |
| 5 | 108 | 0.42 | 0.77 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 781 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide (disulfide).
Compared structures
- 2I67 · Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple… · the same entry in another collection · chain A against A, TM-score 1.00
- P28907 · AlphaFold monomer V2.0 prediction for ADP-ribosyl CYCLASE/CYCLIC ADP- ribose hydrolase 1… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P28907
- Elsewhere: RCSB PDB 2I67 · PDBe 2I67 · UniProt P28907
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