Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T65116 | Target Info | |||
| Target Name | Ecto-5'-nucleotidase (CD73) | ||||
| Synonyms | NT5; CD73 antigen; 5'-nucleotidase; 5'-NT | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | NT5E | ||||
| Biochemical Class | Phosphoric monoester hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | ||||
| InChI | 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 60961 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4H2G Human ecto-5'-nucleotidase (CD73): crystal form II (open) in complex with adenosine | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [1] |
| PDB Sequence |
PWELTILHTN
35 DVHSRLEQTS45 EDSSKCVDAS55 RCMGGVARLF65 TKVQQIRRAE75 PNVLLLDAGD 85 QYQGTIWFTV95 YKGAEVAHFM105 NALRYDAMAL115 GNHEFDNGVE125 GLIEPLLKEA 135 KFPILSANIK145 AKGPLASQIS155 GLYLPYKVLP165 VGDEVVGIVG175 YTSKETPFLS 185 NPGTNLVFED195 EITALQPEVD205 KLKTLNVNKI215 IALGHSGFEM225 DKLIAQKVRG 235 VDVVVGGHSN245 TFLYTGNPPS255 KEVPAGKYPF265 IVTSDDGRKV275 PVVQAYAFGK 285 YLGYLKIEFD295 ERGNVISSHG305 NPILLDSSIP315 EDPSIKADIN325 KWRIKLDDYS 335 TQELGKTIVY345 LDGSSQSCRF355 RECNMGNLIC365 DAMINNNLRH375 ADEMFWNHVS 385 MCILNGGGIR395 SPIDERNDGT405 ITWENLAAVL415 PFGGTFDLVQ425 LKGSTLKKAF 435 EHSVHRYGQS445 TGEFLQVGGI455 HVVYDLSRKP465 GDRVVKLDVL475 CTACAVPSYD 485 PLKMDEVYKV495 ILPNFLANGG505 DGFQMIKDEL515 LRHDSGDQDI525 NVVSTYISKM 535 KVIYPAVEGR545 IKFS
|
|||||
|
|
||||||
| PDB ID: 4H2F Human ecto-5'-nucleotidase (CD73): crystal form I (open) in complex with adenosine | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
PWELTILHTN
35 DVHSRLEQTS45 EDSSKCVDAS55 RCMGGVARLF65 TKVQQIRRAE75 PNVLLLDAGD 85 QYQGTIWFTV95 YKGAEVAHFM105 NALRYDAMAL115 GNHEFDNGVE125 GLIEPLLKEA 135 KFPILSANIK145 AKGPLASQIS155 GLYLPYKVLP165 VGDEVVGIVG175 YTSKETPFLS 185 NPGTNLVFED195 EITALQPEVD205 KLKTLNVNKI215 IALGHSGFEM225 DKLIAQKVRG 235 VDVVVGGHSN245 TFLYTGNPPS255 KEVPAGKYPF265 IVTSDDGRKV275 PVVQAYAFGK 285 YLGYLKIEFD295 ERGNVISSHG305 NPILLDSSIP315 EDPSIKADIN325 KWRIKLDDYS 335 TQELGKTIVY345 LDGSSQSCRF355 RECNMGNLIC365 DAMINNNLRH375 ADEMFWNHVS 385 MCILNGGGIR395 SPIDERNDGT405 ITWENLAAVL415 PFGGTFDLVQ425 LKGSTLKKAF 435 EHSVHRYGQS445 TGEFLQVGGI455 HVVYDLSRKP465 GDRVVKLDVL475 CTACAVPSYD 485 PLKMDEVYKV495 ILPNFLANGG505 DGFQMIKDEL515 LRHDSGDQDI525 NVVSTYISKM 535 KVIYPAVEGR545 IKFS
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the human ecto-5'-nucleotidase (CD73): insights into the regulation of purinergic signaling. Structure. 2012 Dec 5;20(12):2161-73. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.