Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Aciclovir | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN PNP COMPLEXED WITH ACYCLOVIR | PDB:1PWY | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [1] |
| 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
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| Ligand Name: Didanosine | Ligand Info | |||||
| Structure Description | Structure of human PNP complexed with DDI | PDB:1V3Q | ||||
| Method | X-ray diffraction | Resolution | 2.80 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
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| Ligand Name: Guanine | Ligand Info | |||||
| Structure Description | Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with guanine | PDB:4ECE | ||||
| 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GUN or .GUN2 or .GUN3 or :3GUN;style chemicals stick;color identity;select .A:116 or .A:117 or .A:118 or .A:195 or .A:200 or .A:201 or .A:217 or .A:218 or .A:219 or .A:242 or .A:243 or .A:245 or .A:255 or .A:257 or .A:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: BCX-3408 | Ligand Info | |||||
| Structure Description | Structure of human purine nucleoside phosphorylase with L-DADMe-ImmH and phosphate | PDB:3BGS | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [4] |
| 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 SIPLPD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DIH or .DIH2 or .DIH3 or :3DIH;style chemicals stick;color identity;select .A:33 or .A:86 or .A:88 or .A:116 or .A:117 or .A:118 or .A:195 or .A:200 or .A:201 or .A:217 or .A:218 or .A:219 or .A:242 or .A:243 or .A:245 or .A:255 or .A:257 or .A:260; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Forodesine | Ligand Info | |||||
| Structure Description | Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and sulfate | PDB:1RT9 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
NGYTYEDYKN
12 TAEWLLSHTK22 HRPQVAIICG32 SGLGGLTDKL42 TQAQIFDYSE52 IPNFPRSTVP 62 GHAGRLVFGF72 LNGRACVMMQ82 GRFHMYEGYP92 LWKVTFPVRV102 FHLLGVDTLV 112 VTNAAGGLNP122 KFEVGDIMLI132 RDHINLPGFS142 GQNPLRGPND152 ERFGDRFPAM 162 SDAYDRTMRQ172 RALSTWKQMG182 EQRELQEGTY192 VMVAGPSFET202 VAECRVLQKL 212 GADAVGMSTV222 PEVIVARHCG232 LRVFGFSLIT242 NKVIMDYESL252 EKANHEEVLA 262 AGKQAAQKLE272 QFVSILMASI282 PL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IMH or .IMH2 or .IMH3 or :3IMH;style chemicals stick;color identity;select .A:33 or .A:86 or .A:88 or .A:116 or .A:117 or .A:118 or .A:195 or .A:200 or .A:201 or .A:217 or .A:218 or .A:219 or .A:220 or .A:242 or .A:243 or .A:245 or .A:257 or .A:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Guanosine | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Purine Nucleoside Phosphorylase Complexed with Guanosine | PDB:1RFG | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [6] |
| 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GMP or .GMP2 or .GMP3 or :3GMP;style chemicals stick;color identity;select .E:33 or .E:86 or .E:88 or .E:116 or .E:117 or .E:118 or .E:192 or .E:195 or .E:200 or .E:201 or .E:217 or .E:218 or .E:219 or .E:220 or .E:242 or .E:243 or .E:245 or .E:255 or .E:256 or .E:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 8-azaguanine | Ligand Info | |||||
| Structure Description | Crystal structure of human PNP complexed with 8-Azaguanine | PDB:1V41 | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [6] |
| 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AZG or .AZG2 or .AZG3 or :3AZG;style chemicals stick;color identity;select .E:116 or .E:117 or .E:118 or .E:195 or .E:200 or .E:201 or .E:217 or .E:218 or .E:219 or .E:242 or .E:243 or .E:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Deoxyguanosine | Ligand Info | |||||
| Structure Description | Crystal Structure of human PNP complexed with 3-deoxyguanosine | PDB:1V45 | ||||
| Method | X-ray diffraction | Resolution | 2.86 Å | Mutation | No | [6] |
| 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3DG or .3DG2 or .3DG3 or :33DG;style chemicals stick;color identity;select .E:33 or .E:86 or .E:88 or .E:116 or .E:117 or .E:118 or .E:192 or .E:195 or .E:199 or .E:200 or .E:201 or .E:217 or .E:218 or .E:219 or .E:220 or .E:242 or .E:243 or .E:245 or .E:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: DADMe-ImmG | Ligand Info | |||||
| Structure Description | Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with DADMe-ImmG and phosphate | PDB:4EAR | ||||
| Method | X-ray diffraction | Resolution | 1.70 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 KANEEVLAAG 264 KQAAQKLEQF274 VSILMASIPL284 PD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IM5 or .IM52 or .IM53 or :3IM5;style chemicals stick;color identity;select .A:33 or .A:86 or .A:88 or .A:116 or .A:117 or .A:118 or .A:195 or .A:200 or .A:201 or .A:217 or .A:218 or .A:219 or .A:242 or .A:243 or .A:245 or .A:255 or .A:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 7-({[(1r,2s)-2,3-Dihydroxy-1-(Hydroxymethyl)propyl]amino}methyl)-3,5-Dihydro-4h-Pyrrolo[3,2-D]pyrimidin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human purine nucleoside phosphorylase in complex with DATMe-ImmH | PDB:3K8O | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [7] |
| PDB Sequence |
NGYTYEDYKN
12 TAEWLLSHTK22 HRPQVAIICG32 SGLGGLTDKL42 TQAQIFDYSE52 IPNFPRSTVP 62 GHAGRLVFGF72 LNGRACVMMQ82 GRFHMYEGYP92 LWKVTFPVRV102 FHLLGVDTLV 112 VTNAAGGLNP122 KFEVGDIMLI132 RDHINLPGFS142 GQNPLRGPND152 ERFGDRFPAM 162 SDAYDRTMRQ172 RALSTWKQMG182 EQRELQEGTY192 VMVAGPSFET202 VAECRVLQKL 212 GADAVGMSTV222 PEVIVARHCG232 LRVFGFSLIT242 NKVIMDYESL252 EKANHEEVLA 262 AGKQAAQKLE272 QFVSILMASI282 PLP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .229 or .2292 or .2293 or :3229;style chemicals stick;color identity;select .E:33 or .E:61 or .E:86 or .E:88 or .E:116 or .E:117 or .E:118 or .E:192 or .E:200 or .E:201 or .E:217 or .E:218 or .E:219 or .E:220 or .E:242 or .E:243 or .E:245 or .E:255 or .E:257 or .E:260; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-({[2-Hydroxy-1-(Hydroxymethyl)ethyl]amino}methyl)-3,5-Dihydro-4h-Pyrrolo[3,2-D]pyrimidin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of human purine nucleoside phosphorylase in complex with SerMe-Immucillin H | PDB:3K8Q | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [8] |
| 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 SIPLPD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .22A or .22A2 or .22A3 or :322A;style chemicals stick;color identity;select .A:86 or .A:88 or .A:116 or .A:117 or .A:118 or .A:200 or .A:201 or .A:217 or .A:218 or .A:219 or .A:242 or .A:243 or .A:245 or .A:255 or .A:257 or .A:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Mercapto-4(3H)-quinazolinone | Ligand Info | |||||
| Structure Description | Crystal structure of human PNP complexed with 2-mercapto(3H) quinazolinone | PDB:3D1V | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [9] |
| 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D1V or .D1V2 or .D1V3 or :3D1V;style chemicals stick;color identity;select .A:116 or .A:117 or .A:118 or .A:195 or .A:200 or .A:201 or .A:217 or .A:218 or .A:219 or .A:242 or .A:243 or .A:245 or .A:256 or .A:257; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-Deazaguanine | Ligand Info | |||||
| Structure Description | Crystal structure of human purine nucleoside phosphorylase in complex with 7-deazaguanine | PDB:3INY | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [10] |
| 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7DG or .7DG2 or .7DG3 or :37DG;style chemicals stick;color identity;select .A:116 or .A:117 or .A:118 or .A:195 or .A:200 or .A:201 or .A:217 or .A:218 or .A:219 or .A:242 or .A:243 or .A:255 or .A:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-Mercapto-7-methylguanosine | Ligand Info | |||||
| Structure Description | Crystal structure of human PNP complexed with MESG | PDB:1YRY | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [11] |
| 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MSG or .MSG2 or .MSG3 or :3MSG;style chemicals stick;color identity;select .E:33 or .E:86 or .E:88 or .E:116 or .E:117 or .E:118 or .E:195 or .E:200 or .E:201 or .E:217 or .E:218 or .E:219 or .E:220 or .E:242 or .E:243 or .E:245 or .E:255 or .E:256 or .E:257 or .E:260; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Inosine | Ligand Info | |||||
| Structure Description | Crystal structure of Human purine nucleoside phosphorylase complexed with INOSINE | PDB:1RCT | ||||
| Method | X-ray diffraction | Resolution | 2.80 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NOS or .NOS2 or .NOS3 or :3NOS;style chemicals stick;color identity;select .E:33 or .E:86 or .E:88 or .E:116 or .E:117 or .E:118 or .E:192 or .E:200 or .E:201 or .E:217 or .E:218 or .E:219 or .E:220 or .E:242 or .E:243 or .E:245 or .E:255 or .E:256 or .E:257 or .E:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Fluoroadenine | Ligand Info | |||||
| Structure Description | Human purine nucleoside phosphorylase double mutant E201Q,N243D complexed with 2-fluoroadenine | PDB:3GB9 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [12] |
| PDB Sequence |
NGYTYEDYKN
12 TAEWLLSHTK22 HRPQVAIICG32 SGLGGLTDKL42 TQAQIFDYGE52 IPNFPRSTVP 62 GHAGRLVFGF72 LNGRACVMMQ82 GRFHMYEGYP92 LWKVTFPVRV102 FHLLGVDTLV 112 VTNAAGGLNP122 KFEVGDIMLI132 RDHINLPGFS142 GQNPLRGPND152 ERFGDRFPAM 162 SDAYDRTMRQ172 RALSTWKQMG182 EQRELQEGTY192 VMVAGPSFQT202 VAECRVLQKL 212 GADAVGMSTV222 PEVIVARHCG232 LRVFGFSLIT242 DKVIMDYESL252 EKANHEEVLA 262 AGKQAAQKLE272 QFVSILMASI282 PLP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A2F or .A2F2 or .A2F3 or :3A2F;style chemicals stick;color identity;select .A:117 or .A:118 or .A:195 or .A:199 or .A:200 or .A:201 or .A:217 or .A:218 or .A:219 or .A:242 or .A:243 or .A:245; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2'-Deoxy-2-fluoroadenosine | Ligand Info | |||||
| Structure Description | Human purine nucleoside phosphorylase double mutant E201Q,N243D complexed with 2-fluoro-2'-deoxyadenosine | PDB:3GGS | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | Yes | [12] |
| PDB Sequence |
NGYTYEDYKN
12 TAEWLLSHTK22 HRPQVAIICG32 SGLGGLTDKL42 TQAQIFDYGE52 IPNFPRSTVP 62 GHAGRLVFGF72 LNGRACVMMQ82 GRFHMYEGYP92 LWKVTFPVRV102 FHLLGVDTLV 112 VTNAAGGLNP122 KFEVGDIMLI132 RDHINLPGFS142 GQNPLRGPND152 ERFGDRFPAM 162 SDAYDRTMRQ172 RALSTWKQMG182 EQRELQEGTY192 VMVAGPSFQT202 VAECRVLQKL 212 GADAVGMSTV222 PEVIVARHCG232 LRVFGFSLIT242 DKVIMDYESL252 EKANHEEVLA 262 AGKQAAQKLE272 QFVSILMASI282 PLPD
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Click to Show 3D Structure of This Binding Site
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| Ligand Name: 6-Fluoro-L-Tryptophan | Ligand Info | |||||
| Structure Description | Crystal structure of purine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W) mutant from human complexed with DADMe-ImmG and phosphate | PDB:4EAR | ||||
| Method | X-ray diffraction | Resolution | 1.70 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 KANEEVLAAG 264 KQAAQKLEQF274 VSILMASIPL284 PD
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human purine nucleoside phosphorylase complexed with acyclovir. Biochem Biophys Res Commun. 2003 Aug 29;308(3):553-9. | ||||
| REF 2 | Structures of human purine nucleoside phosphorylase complexed with inosine and ddI. Biochem Biophys Res Commun. 2004 Jan 23;313(4):907-14. | ||||
| REF 3 | Catalytic site conformations in human PNP by 19F-NMR and crystallography. Chem Biol. 2013 Feb 21;20(2):212-22. | ||||
| REF 4 | L-Enantiomers of transition state analogue inhibitors bound to human purine nucleoside phosphorylase. J Am Chem Soc. 2008 Jan 23;130(3):842-4. | ||||
| REF 5 | Structural comparison of human and malarial purine nucleoside phosphorylases | ||||
| REF 6 | Structure of human PNP complexed with ligands. Acta Crystallogr D Biol Crystallogr. 2005 Jul;61(Pt 7):856-62. | ||||
| REF 7 | Crystal structure of human purine nucleoside phosphorylase in complex with DATMe-Immucillin H | ||||
| REF 8 | Crystal structure of human nucleoside phosphorylase in complex with SerMe-ImmH | ||||
| REF 9 | Structural studies of human purine nucleoside phosphorylase: towards a new specific empirical scoring function. Arch Biochem Biophys. 2008 Nov 1;479(1):28-38. | ||||
| REF 10 | Crystal structure and molecular dynamics studies of human purine nucleoside phosphorylase complexed with 7-deazaguanine. J Struct Biol. 2010 Mar;169(3):379-88. | ||||
| REF 11 | Kinetics and crystal structure of human purine nucleoside phosphorylase in complex with 7-methyl-6-thio-guanosine. Arch Biochem Biophys. 2005 Oct 1;442(1):49-58. | ||||
| REF 12 | Structure of a mutant human purine nucleoside phosphorylase with the prodrug, 2-fluoro-2'-deoxyadenosine and the cytotoxic drug, 2-fluoroadenine. Protein Sci. 2009 May;18(5):1107-14. | ||||
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