UniProt P28907
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (P28907)
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 (UniProt P28907), EC 2.4.99.20, 3.2.2.6: 87 experimental structures and 1 predicted model on GenesisL1, 11 ligands bound, 19 pockets. Binding sites, druggability and experiment…
- UniProt
- P28907
- Protein
- ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1
- EC
- 2.4.99.20, 3.2.2.6
- Experimental structures
- 87
- Predicted models
- 1
- Ligands
- 11
- Pockets
- 19 · 4 records with a druggable one
Structures
88 records of P28907 in the MolNFT archive: 87 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1YH3 | Crystal structure of human CD38 extracellular domain | x-ray diffraction | A, B | — | — |
| 1YH3 | Crystal structure of human CD38 extracellular domain | x-ray diffraction | A, B | — | — |
| 1ZVM | Crystal structure of human CD38: cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase | x-ray diffraction | A, B, C, D | — | — |
| 1ZVM | Crystal structure of human CD38: cyclic-ADP-ribosyl SYNTHETASE/NAD+ glycohydrolase | x-ray diffraction | A, B, C, D | — | — |
| 2EF1 | Crystal structure of the extracellular domain of human CD38 | x-ray diffraction | A, B | — | — |
| 2EF1 | Crystal structure of the extracellular domain of human CD38 | x-ray diffraction | A, B | — | — |
| 2HCT | Acidic residues at the active sites of CD38 and ADP-ribosyl cyclase determine NAAPD synthesis and… | x-ray diffraction | A, B | — | — |
| 2HCT | Acidic residues at the active sites of CD38 and ADP-ribosyl cyclase determine naapd synthesis and… | x-ray diffraction | A, B | — | — |
| 2I65 | Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis | x-ray diffraction | A, B | — | — |
| 2I65 | Structural basis for the mechanistic understanding human CD38 controlled multiple catalysis | x-ray diffraction | A, B | — | — |
| 2I66 | Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis | x-ray diffraction | A, B | — | — |
| 2I66 | Structural basis for the mechanistic understanding human CD38 controlled multiple catalysis | x-ray diffraction | A, B | — | — |
| 2I67 | Structural Basis for the Mechanistic Understanding Human CD38 Controlled Multiple Catalysis | x-ray diffraction | A, B | — | — |
| 2I67 | Structural basis for the mechanistic understanding human CD38 controlled multiple catalysis | x-ray diffraction | A, B | — | — |
| 2O3Q | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | x-ray diffraction | A, B | — | — |
| 2O3Q | Structural basis for formation and hydrolysis of calcium messenger cyclic ADP-ribose by human CD38 | x-ray diffraction | A, B | — | — |
| 2O3R | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | x-ray diffraction | A, B | — | — |
| 2O3R | Structural basis for formation and hydrolysis of calcium messenger cyclic ADP-ribose by human CD38 | x-ray diffraction | A, B | — | — |
| 2O3S | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | x-ray diffraction | A, B | — | — |
| 2O3S | Structural basis for formation and hydrolysis of calcium messenger cyclic ADP-ribose by human CD38 | x-ray diffraction | A, B | — | — |
| 2O3T | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | x-ray diffraction | A, B | — | — |
| 2O3T | Structural basis for formation and hydrolysis of calcium messenger cyclic ADP-ribose by human CD38 | x-ray diffraction | A, B | — | — |
| 2O3U | Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | x-ray diffraction | A, B | — | — |
| 2O3U | Structural basis for formation and hydrolysis of calcium messenger cyclic ADP-ribose by human CD38 | x-ray diffraction | A, B | — | — |
| 2PGJ | Catalysis associated conformational changes revealed by human cd38 complexed with a… | x-ray diffraction | A, B | — | — |
| 2PGJ | Catalysis associated conformational changes revealed by human CD38 complexed with a… | x-ray diffraction | A, B | — | — |
| 2PGL | Catalysis associated conformational changes revealed by human CD38 complexed with a… | x-ray diffraction | A, B | — | — |
| 2PGL | Catalysis associated conformational changes revealed by human CD38 complexed with a… | x-ray diffraction | A, B | — | — |
| 3DZF | Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3DZF | Crystal structure of human CD38 extracellular domain complexed with a covalent intermediate… | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3DZG | Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'-phosphate/nicotinamide complex | x-ray diffraction | A, B | — | — |
| 3DZG | Crystal structure of human CD38 extracellular domain, ara-F-ribose-5'- PHOSPHATE/NICOTINAMIDE… | x-ray diffraction | A, B | — | — |
| 3DZH | Crystal structure of human CD38 extracellular domain, GTP complex | x-ray diffraction | A, B | — | — |
| 3DZH | Crystal structure of human CD38 extracellular domain, GTP complex | x-ray diffraction | A, B | — | — |
| 3DZI | Crystal structure of human CD38 extracellular domain, ribose-5'-phosphate intermediate/GTP complex | x-ray diffraction | A, B | — | — |
| 3DZI | Crystal structure of human CD38 extracellular domain, ribose-5'- phosphate INTERMEDIATE/GTP complex | x-ray diffraction | A, B | — | — |
| 3DZJ | Crystal structure of human CD38 extracellular domain E226Q mutant, NMN complex | x-ray diffraction | A, B | — | — |
| 3DZJ | Crystal structure of human CD38 extracellular domain E226Q mutant, nmn complex | x-ray diffraction | A, B | — | — |
| 3DZK | Crystal structure of human CD38 extracellular domain, NMN complex | x-ray diffraction | A, B | — | — |
| 3DZK | Crystal structure of human CD38 extracellular domain, nmn complex | x-ray diffraction | A, B | — | — |
| 3F6Y | Conformational Closure of the Catalytic Site of Human CD38 Induced by Calcium | x-ray diffraction | A | — | — |
| 3F6Y | Conformational closure of the catalytic site of human CD38 induced by calcium | x-ray diffraction | A | — | — |
| 3I9M | Crystal structure of human CD38 complexed with an analog ara-2'F-ADPR | x-ray diffraction | A, B | — | — |
| 3I9M | Crystal structure of human CD38 complexed with an analog ara-2'F-adpr | x-ray diffraction | A, B | — | — |
| 3I9N | Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose | x-ray diffraction | A, B | — | — |
| 3I9N | Crystal structure of human CD38 complexed with an analog ribo-2'F-ADP ribose | x-ray diffraction | A, B | — | — |
| 3OFS | Dynamic conformations of the CD38-mediated NAD cyclization captured using multi-copy crystallography | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3OFS | Dynamic conformations of the CD38-mediated NAD cyclization captured using multi-copy crystallography | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3RAJ | Crystal structure of human CD38 in complex with the Fab fragment of antibody HB7 | x-ray diffraction | A | — | — |
| 3RAJ | Crystal structure of human CD38 in complex with the Fab fragment of antibody HB7 | x-ray diffraction | A | — | — |
| 3ROK | Crystal structure of human CD38 in complex with compound CZ-27 | x-ray diffraction | A, B | — | — |
| 3ROK | Crystal structure of human CD38 in complex with compound cz-27 | x-ray diffraction | A, B | — | — |
| 3ROM | Crystal structure of human CD38 in complex with compound CZ-48 | x-ray diffraction | A, B | — | — |
| 3ROM | Crystal structure of human CD38 in complex with compound cz-48 | x-ray diffraction | A, B | — | — |
| 3ROP | Crystal structure of human CD38 in complex with compound CZ-50b | x-ray diffraction | A, B | — | — |
| 3ROP | Crystal structure of human CD38 in complex with compound cz-50B | x-ray diffraction | A, B | — | — |
| 3ROQ | Crystal structure of human CD38 in complex with compound CZ-46 | x-ray diffraction | A, B | — | — |
| 3ROQ | Crystal structure of human CD38 in complex with compound cz-46 | x-ray diffraction | A, B | — | — |
| 3U4H | CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template | x-ray diffraction | A, B | — | — |
| 3U4H | CD38 structure-based inhibitor design using the N1-cyclic inosine 5'- diphosphate ribose template | x-ray diffraction | A, B | — | — |
28 records more on the page itself.
Ligands
- CL · Chloride ion · in 2 records
- MG · Magnesium ion · in 2 records
- NA · Sodium ion · in 2 records
- 41Z · 4-[(2,6-dimethylbenzyl)amino]-2-methylquinoline-8-carboxamide · in 1 record
- K · Potassium ion · in 1 record
- NA7 · [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate · in 1 record
- NNR · Nicotinamide riboside · in 1 record
- PO4 · Phosphate ion · in 1 record
- RIB · alpha-D-ribofuranose · in 1 record
- ROJ · [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R})-4-chloranyl-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate · in 1 record
- ZNA · [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate · in 1 record
Experiment against prediction
- 3ROM chain B against the predicted model P28907: TM-score 0.99, RMSD 0.51 Å
- 3ROM chain B against the predicted model P28907: TM-score 0.99, RMSD 0.51 Å
- 4F45 chain A against the predicted model P28907: TM-score 0.99, RMSD 0.49 Å
- 4F45 chain A against the predicted model P28907: TM-score 0.99, RMSD 0.49 Å
- 2I67 chain B against the predicted model P28907: TM-score 0.99, RMSD 0.55 Å
- 2I67 chain B against the predicted model P28907: TM-score 0.99, RMSD 0.55 Å
- 4F46 chain A against the predicted model P28907: TM-score 0.99, RMSD 0.57 Å
- 4F46 chain A against the predicted model P28907: TM-score 0.99, RMSD 0.57 Å
- 3DZF chain D against the predicted model P28907: TM-score 0.99, RMSD 0.62 Å
- 3DZF chain D against the predicted model P28907: TM-score 0.99, RMSD 0.62 Å
Elsewhere
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