Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T10877 | Target Info | |||
| Target Name | Cyclic ADP-ribose hydrolase 1 (CD38) | ||||
| Synonyms | cADPr hydrolase 1; T10; Cyclic ADPribose hydrolase 1; ADPribosyl cyclase 1; ADPRC 1; ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1; ADP-ribosyl cyclase 1; 2'-phospho-cyclic-ADP-ribose transferase; 2'-phospho-ADP-ribosyl cyclase/2'-phospho-cyclic-ADP-ribose transferase; 2'-phospho-ADP-ribosyl cyclase | ||||
| Target Type | Successful Target | ||||
| Gene Name | CD38 | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cyclic Adenosine Diphosphate Ribose | Ligand Info | |||
| Canonical SMILES | C1C2C(C(C(O2)N3C=NC4=C3N=CN(C4=N)C5C(C(C(O5)COP(=O)(OP(=O)(O1)[O-])[O-])O)O)O)O | ||||
| InChI | 1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/p-2/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | ||||
| InChIKey | BQOHYSXSASDCEA-KEOHHSTQSA-L | ||||
| PubChem Compound ID | 71464584 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2O3S Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
FWRQTWSGPG
54 TTKRFPETVL64 ARCVKYTEIH74 PEMRHVDCQS84 VWDAFKGAFI94 SKHPCDITEE 104 DYQPLMKLGT114 QTVPCNKILL124 WSRIKDLAHQ134 FTQVQRDMFT144 LEDTLLGYLA 154 DDLTWCGEFD164 TSKINYQSCP174 DWRKDCSNNP184 VSVFWKTVSR194 RFAEAACDVV 204 HVMLDGSRSK214 IFDKDSTFGS224 VGVHNLQPEK234 VQTLEAWVIH244 GGREDSRDLC 254 QDPTIKELES264 IISKRNIQFS274 CKNIYRPDKF284 LQCVKNPEDS294 SC |
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| PDB ID: 2O3R Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [1] |
| PDB Sequence |
RWRQTWSGPG
54 TTKRFPETVL64 ARCVKYTEIH74 PEMRHVDCQS84 VWDAFKGAFI94 SKHPCDITEE 104 DYQPLMKLGT114 QTVPCNKILL124 WSRIKDLAHQ134 FTQVQRDMFT144 LEDTLLGYLA 154 DDLTWCGEFD164 TSKINYQSCP174 DWRKDCSNNP184 VSVFWKTVSR194 RFAEAACDVV 204 HVMLDGSRSK214 IFDKDSTFGS224 VDVHNLQPEK234 VQTLEAWVIH244 GGREDSRDLC 254 QDPTIKELES264 IISKRNIQFS274 CKNIYRPDKF284 LQCVKNPEDS294 SC |
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| PDB ID: 2O3Q Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [1] |
| PDB Sequence |
RWRQTWSGPG
54 TTKRFPETVL64 ARCVKYTEIH74 PEMRHVDCQS84 VWDAFKGAFI94 SKHPCDITEE 104 DYQPLMKLGT114 QTVPCNKILL124 WSRIKDLAHQ134 FTQVQRDMFT144 LEDTLLGYLA 154 DDLTWCGEFD164 TSKINYQSCP174 DWRKDCSNNP184 VSVFWKTVSR194 RFAEAACDVV 204 HVMLDGSRSK214 IFDKDSTFGS224 VQVHNLQPEK234 VQTLEAWVIH244 GGREDSRDLC 254 QDPTIKELES264 IISKRNIQFS274 CKNIYRPDKF284 LQCVKNPEDS294 SC |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38. J Biol Chem. 2007 Feb 23;282(8):5853-61. | ||||
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