Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T41666 Target Info
Target Name Plasmodium Hypoxanthine-guanine phosphoribosyltransferase (Malaria LACZ)
Synonyms LACZ of Plasmodium falciparum (isolate FCR-3 / Gambia); Hypoxanthine phosphoribosyltransferase; HPRT; HGPRTase; HGPRT of Plasmodium falciparum (isolate FCR-3 / Gambia); Guanine phosphoribosyltransferase; GPRT
Target Type Patented-recorded Target
Gene Name Malaria LACZ
Biochemical Class Pentosyltransferase
UniProt ID
HGXR_PLAFG
Ligand General Information  Top
Ligand Name Pyrophosphate 2- Ligand Info
Canonical SMILES OP(=O)([O-])OP(=O)(O)[O-]
InChI 1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKey XPPKVPWEQAFLFU-UHFFFAOYSA-L
PubChem Compound ID 4995
Drug Binding Sites of Target  Top
PDB ID: 1CJB      MALARIAL PURINE PHOSPHORIBOSYLTRANSFERASE
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
PIPNNPGAGE
11
NAFDPVFVND
21
DDGYDLDSFM
31
IPAHYKKYLT
41
KVLVPNGVIK
51

NRIEKLAYDI
61
KKVYNNEEFH
71
ILCLLKGSRG
81
FFTALLKHLS
91
RIHNYSAVET
101

SKPLFGEHYV
111
RVKSYCNDQS
121
TGTLEIVSED
131
LSCLKGKHVL
141
IVEDIIDTGK
151

TLVKFCEYLK
161
KFEIKTVAIA
171
CLFIKRTPLW
181
NGFKADFVGF
191
SIPDHFVVGY
201

SLDYNEIFRD
211
LDHCCLVNDE
221
GKKKYKAT
Residue
Distance (Å)
LEU75
4.829
LEU76
3.825
LYS77
2.902
GLY78
2.795
ARG112
2.786
VAL113
3.528
LYS114
3.539
Residue
Distance (Å)
SER115
2.774
TYR116
2.797
ASP145
4.344
THR152
4.821
ASP204
2.863
GLU207
4.887
ARG210
2.764
PDB ID: 3OZF      Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with hypoxanthine
Method X-ray diffraction Resolution 1.94 Å Mutation No [2]
PDB Sequence
PRGSHMPIPN
5
NPGAGENAFD
15
PVFVNDDDGY
25
DLDSFMIPAH
35
YKKYLTKVLV
45

PNGVIKNRIE
55
KLAYDIKKVY
65
NNEEFHILCL
75
LKGSRGFFTA
85
LLKHLSRIHN
95

YSAVETSKPL
105
FGEHYVRVKS
115
YCNDQSTGTL
125
EIVSEDLSCL
135
KGKHVLIVED
145

IIDTGKTLVK
155
FCEYLKKFEI
165
KTVAIACLFI
175
KRTPLWNGFK
185
ADFVGFSIPD
195

HFVVGYSLDY
205
NEIFRDLDHC
215
CLVNDEGKKK
225
YKA
Residue
Distance (Å)
LEU75
4.768
LEU76
3.805
LYS77
2.875
GLY78
2.912
SER79
4.975
ARG112
2.716
VAL113
3.881
Residue
Distance (Å)
LYS114
3.485
SER115
2.700
TYR116
2.841
ASP145
4.230
ASP204
2.909
ARG210
2.920
PDB ID: 3OZG      Crystal Structure of Plasmodium falciparum Hypoxanthine-Guanine-Xanthine Phosphoribosyltransferase in complex with S-SerMe-ImmH phosphonate
Method X-ray diffraction Resolution 1.99 Å Mutation No [2]
PDB Sequence
PIPNNPGAGE
11
NAFDPVFVND
21
DDGYDLDSFM
31
IPAHYKKYLT
41
KVLVPNGVIK
51

NRIEKLAYDI
61
KKVYNNEEFH
71
ILCLLKGSRG
81
FFTALLKHLS
91
RIHNYSAVET
101

SKPLFGEHYV
111
RVKSYCNDQS
121
TGTLEIVSED
131
LSCLKGKHVL
141
IVEDIIDTGK
151

TLVKFCEYLK
161
KFEIKTVAIA
171
CLFIKRTPLW
181
NGFKADFVGF
191
SIPDHFVVGY
201

SLDYNEIFRD
211
LDHCCLVNDE
221
GKKKYKA
Residue
Distance (Å)
LEU75
4.908
LEU76
3.832
LYS77
2.905
GLY78
3.064
ARG112
3.067
VAL113
3.400
Residue
Distance (Å)
LYS114
3.603
SER115
2.786
TYR116
2.777
ASP145
4.493
ASP204
2.616
ARG210
2.673
References  Top
REF 1 The 2.0 A structure of malarial purine phosphoribosyltransferase in complex with a transition-state analogue inhibitor. Biochemistry. 1999 Aug 3;38(31):9872-80.
REF 2 Acyclic immucillin phosphonates: second-generation inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase. Chem Biol. 2012 Jun 22;19(6):721-30.

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