Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T78198 | Target Info | |||
| Target Name | Purine nucleoside phosphorylase (PNP) | ||||
| Synonyms | PNP; Inosine phosphorylase | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PNP | ||||
| Biochemical Class | Pentosyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Guanine | Ligand Info | |||
| Canonical SMILES | C1=NC2=C(N1)C(=O)NC(=N2)N | ||||
| InChI | 1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) | ||||
| InChIKey | UYTPUPDQBNUYGX-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 135398634 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1ULB APPLICATION OF CRYSTALLOGRAPHIC AND MODELING METHODS IN THE DESIGN OF PURINE NUCLEOSIDE PHOSPHORYLASE INHIBITORS | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [1] |
| PDB Sequence |
MENGYTYEDY
10 KNTAEWLLSH20 TKHRPQVAII30 CGSGLGGLTD40 KLTQAQIFDY50 SEIPNFPRST 60 VPGHAGRLVF70 GFLNGRACVM80 MQGRFHMYEG90 YPLWKVTFPV100 RVFHLLGVDT 110 LVVTNAAGGL120 NPKFEVGDIM130 LIRDHINLPG140 FSGQNPLRGP150 NDERFGDRFP 160 AMSDAYDRTM170 RQRALSTWKQ180 MGEQRELQEG190 TYVMVAGPSF200 ETVAECRVLQ 210 KLGADAVGMS220 TVPEVIVARH230 CGLRVFGFSL240 ITNKVIMDYE250 SLEKANHEEV 260 LAAGKQAAQK270 LEQFVSILMA280 SIPLPDKAS
|
|||||
|
|
||||||
| PDB ID: 1V2H Crystal structure of human PNP complexed with guanine | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [2] |
| PDB Sequence |
ENGYTYEDYK
11 NTAEWLLSHT21 KHRPQVAIIC31 GSGLGGLTDK41 LTQAQIFDYS51 EIPNFPRSTV 61 PGHAGRLVFG71 FLNGRACVMM81 QGRFHMYEGY91 PLWKVTFPVR101 VFHLLGVDTL 111 VVTNAAGGLN121 PKFEVGDIML131 IRDHINLPGF141 SGQNPLRGPN151 DERFGDRFPA 161 MSDAYDRTMR171 QRALSTWKQM181 GEQRELQEGT191 YVMVAGPSFE201 TVAECRVLQK 211 LGADAVGMST221 VPEVIVARHC231 GLRVFGFSLI241 TNKVIMDYES251 LEKANHEEVL 261 AAGKQAAQKL271 EQFVSILMAS281 IPLPDKAS
|
|||||
|
|
||||||
| PDB ID: 4ECE Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with guanine | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
GYTYEDYKNT
13 AEYLLSHTKH23 RPQVAIICGS33 GLGGLTDKLT43 QAQIFDYSEI53 PNFPRSTVPG 63 HAGRLVFGFL73 NGRACVMMQG83 RFHMYEGYPL93 YKVTFPVRVF103 HLLGVDTLVV 113 TNAAGGLNPK123 FEVGDIMLIR133 DHINLPGFSG143 QNPLRGPNDE153 RFGDRFPAMS 163 DAYDRTMRQR173 ALSTYKQMGE183 QRELQEGTYV193 MVAGPSFETV203 AECRVLQKLG 213 ADAVGMSTVP223 EVIVARHCGL233 RVFGFSLITN243 KVIMDYESLE253 KANWEEVLAA 263 GKQAAQKLEQ273 FVSILMASIP283 LP
|
|||||
|
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors. Proc Natl Acad Sci U S A. 1991 Dec 15;88(24):11540-4. | ||||
| REF 2 | Crystal structure of human PNP complexed with guanine. Biochem Biophys Res Commun. 2003 Dec 19;312(3):767-72. | ||||
| REF 3 | Catalytic site conformations in human PNP by 19F-NMR and crystallography. Chem Biol. 2013 Feb 21;20(2):212-22. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.