Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T89918 | Target Info | |||
| Target Name | Glycinamide ribonucleotide formyltransferase (GART) | ||||
| Synonyms | Trifunctional purine biosynthetic protein adenosine-3; PRGS; PGFT | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GART | ||||
| Biochemical Class | Carbon-nitrogen ligase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Human glycinamide ribonucleotide synthetase | PDB:2QK4 | ||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | Yes | [1] |
| PDB Sequence |
SMAARVLIIG
9 SGGREHTLAW19 KLAQSHHVKQ29 VLVAPGNAGT39 ACSEKISNTA49 ISISDHTALA 59 QFCKEKKIEF69 VVVGPEAPLA79 AGIVGNLRSA89 GVQCFGPTAE99 AAQLESSKRF 109 AKEFMDRHGI119 PTAQWKAFTK129 PEEACSFILS139 ADFPALVVKA149 SGLKGVIVAK 162 SKEEACKAVQ172 EIMQEETIVI189 EELLDGEEVS199 CLCFTDGKTV209 APMPPAQDHK 219 RLLEGDGGPN229 TGGMGAYCPA239 PQVSNDLLLK249 IKDTVLQRTV259 DGMQQEGTPY 269 TGILYAGIML279 TKNGPKVLEF289 NCRFGDPECQ299 VILPLLKSDL309 YEVIQSTLDG 319 LLCTSLPVWL329 ENHTALTVVM339 ASKGYPGDYT349 KGVEITGFPE359 AQALGLEVFH 369 AGTALKNGKV379 VTHGGRVLAV389 TAIRENLISA399 LEEAKKGLAA409 IKFEGAIYRK 419 DIGFRAIAFL429
|
|||||
|
|
||||||
| Ligand Name: Glycinamide Ribonucleotide | Ligand Info | |||||
| Structure Description | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID | PDB:4ZZ1 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [2] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (S)-2-({4-[3-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-6-Yl)-Propyl]-Thiophene-2-Carbonyl}-Amino)-Pentanedioic Acid | Ligand Info | |||||
| Structure Description | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID | PDB:4ZZ1 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [2] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YF or .3YF2 or .3YF3 or :33YF;style chemicals stick;color identity;select .A:844 or .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS844
4.681
ARG871
2.595
LEU892
3.755
PHE895
3.111
MET896
2.818
ARG897
2.947
ILE898
2.936
LEU899
3.024
VAL904
3.581
ASN913
3.724
|
|||||
| Ligand Name: (S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid | Ligand Info | |||||
| Structure Description | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}-AMINO)-PENTANEDIOIC ACID | PDB:4ZZ2 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [2] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YG or .3YG2 or .3YG3 or :33YG;style chemicals stick;color identity;select .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (S)-2-(7-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-6-Yl)heptanamido)pentanedioic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and (S)-2-(7-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)heptanamido)pentanedioic acid (AGF145) | PDB:4ZYZ | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [3] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YD or .3YD2 or .3YD3 or :33YD;style chemicals stick;color identity;select .A:843 or .A:844 or .A:865 or .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN843
4.688
LYS844
4.742
HIS865
4.169
ARG871
2.851
LEU892
3.779
PHE895
3.143
MET896
2.991
ARG897
2.853
ILE898
2.771
LEU899
2.967
VAL904
3.601
|
|||||
| Ligand Name: (S)-2-(8-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-6-Yl)octanamido)pentanedioic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and (S)-2-(8-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)octanamido)pentanedioic acid (AGF147) | PDB:4ZZ0 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YE or .3YE2 or .3YE3 or :33YE;style chemicals stick;color identity;select .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-({4-[4-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-6-Yl)butyl]thiophen-2-Yl}carbonyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and (S)-2-({4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-2-carbonyl}amino)pentanedioic acid (AGF117) | PDB:4ZYX | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YB or .3YB2 or .3YB3 or :33YB;style chemicals stick;color identity;select .A:844 or .A:865 or .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS844
4.563
HIS865
4.981
ARG871
2.934
LEU892
3.715
PHE895
3.155
MET896
3.060
ARG897
2.898
ILE898
2.900
LEU899
3.012
VAL904
3.636
ASN913
3.759
|
|||||
| Ligand Name: N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]benzoyl}-L-glutamic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and N-{4-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl]benzoyl}-L-glutamic acid (AGF23) | PDB:4ZYT | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [3] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3Y9 or .3Y92 or .3Y93 or :33Y9;style chemicals stick;color identity;select .A:843 or .A:844 or .A:865 or .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN843
4.079
LYS844
3.364
HIS865
3.107
ARG871
2.956
LEU892
3.998
PHE895
3.142
MET896
3.109
ARG897
2.884
ILE898
3.204
LEU899
3.064
VAL904
3.552
|
|||||
| Ligand Name: (S)-2-({5-[4-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]-Pyrimidin-6-Yl)butyl]thiophene-3-Carbonyl}amino)pentanedioic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and (S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]-pyrimidin-6-yl)butyl]thiophene-3-carbonyl}amino)pentanedioic acid (AGF118) | PDB:4ZYY | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [3] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YC or .3YC2 or .3YC3 or :33YC;style chemicals stick;color identity;select .A:843 or .A:844 or .A:865 or .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN843
4.949
LYS844
4.260
HIS865
4.545
ARG871
2.964
LEU892
3.716
PHE895
3.146
MET896
2.995
ARG897
2.894
ILE898
2.857
LEU899
3.046
VAL904
3.643
|
|||||
| Ligand Name: N-{4-[4-(2-Amino-4-Oxo-1,4-Dihydrothieno[2,3-D]pyrimidin-6-Yl)butyl]benzoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and N-{4-[4-(2-Amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-butyl]benzoyl}-L-glutamic acid (AGF50) | PDB:4ZYU | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [3] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YA or .3YA2 or .3YA3 or :33YA;style chemicals stick;color identity;select .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:915 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG871
3.648
LEU892
3.806
PHE895
3.237
MET896
2.898
ARG897
3.184
ILE898
3.308
LEU899
3.001
VAL904
3.503
ASN913
3.455
HIS915
4.846
|
|||||
| Ligand Name: N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor | PDB:7JG0 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [4] |
| PDB Sequence |
ARVAVLISGT
816 GSNLQALIDS826 TREPNSSAQI836 DIVISNKAAV846 AGLDKAERAG856 IPTRVINHKL 866 YKNRVEFDSA876 IDLVLEEFSI886 DIVCLAGFMR896 ILSGPFVQKW906 NGKMLNIHPS 916 LLPSFKGSNA926 HEQALETGVT936 VTGCTVHFVA946 EDVDAGQIIL956 QEAVPVKRGD 966 TVATLSERVK976 LAEHKIFPAA986 LQLVASGTVQ996 LGENGKICWV1006 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V97 or .V972 or .V973 or :3V97;style chemicals stick;color identity;select .A:842 or .A:843 or .A:864 or .A:870 or .A:891 or .A:894 or .A:895 or .A:896 or .A:897 or .A:898 or .A:903 or .A:912 or .A:923 or .A:924 or .A:943 or .A:945 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN842
4.311
LYS843
3.773
HIS864
2.914
ARG870
2.833
LEU891
3.730
PHE894
2.904
MET895
2.939
ARG896
3.063
ILE897
2.854
LEU898
3.071
VAL903
3.601
|
|||||
| Ligand Name: N-({5-[3-(2-Amino-4-Oxo-4,7-Dihydro-1h-Pyrrolo[2,3-D]pyrimidin-6-Yl)propyl]thiophen-2-Yl}carbonyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and N-({5-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)propyl]thiophen-2-yl}carbonyl)-L-glutamic acid (AGF94) | PDB:4ZYW | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [3] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G94 or .G942 or .G943 or :3G94;style chemicals stick;color identity;select .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-({5-[4-(2-Amino-4-Oxo-4,7-Dihydro-1h-Pyrrolo[2,3-D]pyrimidin-6-Yl)butyl]thiophen-2-Yl}carbonyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and N-({5-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)butyl]thiophen-2-yl}carbonyl)-L-glutamic acid (AGF71) | PDB:4ZYV | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [3] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 K |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G71 or .G712 or .G713 or :3G71;style chemicals stick;color identity;select .A:843 or .A:844 or .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:900 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN843
4.910
LYS844
2.672
ARG871
3.131
LEU892
4.006
PHE895
3.158
MET896
2.950
ARG897
2.859
ILE898
3.301
LEU899
2.878
SER900
4.998
VAL904
3.520
|
|||||
| Ligand Name: N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor | PDB:7JG3 | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [4] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V9A or .V9A2 or .V9A3 or :3V9A;style chemicals stick;color identity;select .A:844 or .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS844
4.133
ARG871
2.917
LEU892
3.326
PHE895
3.318
MET896
2.800
ARG897
2.892
ILE898
2.627
LEU899
3.141
VAL904
3.820
ASN913
3.083
|
|||||
| Ligand Name: N-(4-{[2-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-6-Yl)ethyl]amino}benzene-1-Carbonyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183) | PDB:5J9F | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [5] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVAKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .83A or .83A2 or .83A3 or :383A;style chemicals stick;color identity;select .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor | PDB:7JG4 | ||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | No | [4] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V9V or .V9V2 or .V9V3 or :3V9V;style chemicals stick;color identity;select .A:844 or .A:865 or .A:871 or .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:924 or .A:925 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951 or .A:952; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS844
4.571
HIS865
4.891
ARG871
2.809
LEU892
3.797
PHE895
3.375
MET896
3.036
ARG897
3.156
ILE898
3.400
LEU899
3.302
VAL904
3.541
ASN913
3.191
|
|||||
| Ligand Name: N-{4-[2-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-5-Yl)ethyl]benzoyl}-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | Human GAR transformylase in complex with GAR and pemetrexed | PDB:4ZZ3 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
ARVAVLISGT
817 GSNLQALIDS827 TREPNSSAQI837 DIVISNKAAV847 AGLDKAERAG857 IPTRVINHKL 867 YKNRVEFDSA877 IDLVLEEFSI887 DIVCLAGFMR897 ILSGPFVQKW907 NGKMLNIHPS 917 LLPSFKGSNA927 HEQALETGVT937 VTGCTVHFVA947 EDVDAGQIIL957 QEAVPVKRGD 967 TVATLSERVK977 LAEHKIFPAA987 LQLVASGTVQ997 LGENGKICWV1007 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DW or .4DW2 or .4DW3 or :34DW;style chemicals stick;color identity;select .A:892 or .A:895 or .A:896 or .A:897 or .A:898 or .A:899 or .A:904 or .A:913 or .A:944 or .A:946 or .A:947 or .A:948 or .A:949 or .A:950 or .A:951; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-({4-[(1s)-4-(2,4-Diamino-6-Oxo-1,6-Dihydropyrimidin-5-Yl)-1-(Methylsulfanyl)butyl]phenyl}carbonyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | The structure of human glycinamide ribonucleotide transformylase in complex with 10S-methylthio-DDATHF. | PDB:4EW2 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [6] |
| PDB Sequence |
ARVAVLISGT
10 GSNLQALIDS20 TREPNSSAQI30 DIVISNKAAV40 AGLDKAERAG50 IPTRVINHKL 60 YKNRVEFDSA70 IDLVLEEFSI80 DIVCLAGFMR90 ILSGPFVQKW100 NGKMLNIHPS 110 LLPSFKGSNA120 HEQALETGVT130 VTGCTVHFVA140 EDVDAGQIIL150 QEAVPVKRGD 160 TVATLSERVK170 LAEHKIFPAA180 LQLVASGTVQ190 LGENGKICWV200 KEEHH |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DXY or .DXY2 or .DXY3 or :3DXY;style chemicals stick;color identity;select .A:64 or .A:85 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:97 or .A:106 or .A:117 or .A:118 or .A:137 or .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-({4-[(1r)-4-(2,4-Diamino-6-Oxo-1,6-Dihydropyrimidin-5-Yl)-1-(Methylsulfanyl)butyl]phenyl}carbonyl)-L-Glutamic Acid | Ligand Info | |||||
| Structure Description | The structure of human glycinamide ribonucleotide transformylase in complex with 10R-methylthio-DDATHF. | PDB:4EW3 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [6] |
| PDB Sequence |
ARVAVLISGT
10 GSNLQALIDS20 TREPNSSAQI30 DIVISNKAAV40 AGLDKAERAG50 IPTRVINHKL 60 YKNRVEFDSA70 IDLVLEEFSI80 DIVCLAGFMR90 ILSGPFVQKW100 NGKMLNIHPS 110 LLPSFKGSNA120 HEQALETGVT130 VTGCTVHFVA140 EDVDAGQIIL150 QEAVPVKRGD 160 TVATLSERVK170 LAEHKIFPAA180 LQLVASGTVQ190 LGENGKICWV200 KEEHH |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DXZ or .DXZ2 or .DXZ3 or :3DXZ;style chemicals stick;color identity;select .A:64 or .A:85 or .A:87 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:97 or .A:106 or .A:137 or .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-({4-[(1R)-4-[(2R,4S,5S)-2,4-diamino-6-oxohexahydropyrimidin-5-yl]-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-glutamic acid | Ligand Info | |||||
| Structure Description | human GAR Tfase in complex with hydrolyzed form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid | PDB:1NJS | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [7] |
| PDB Sequence |
ARVAVLISGT
10 GSNLQALIDS20 TREPNSSAQI30 DIVISNKAAV40 AGLDKAERAG50 IPTRVINHKL 60 YKNRVEFDSA70 IDLVLEEFSI80 DIVCLAGFMR90 ILSGPFVQKW100 NGKMLNIHPS 110 LLPSFKGSNA120 HEQALETGVT130 VTGCTVHFVA140 EDVDAGQIIL150 QEAVPVKRGD 160 TVATLSERVK170 LAEHKIFPAA180 LQLVASGTVQ190 LGENGKICWV200 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KEU or .KEU2 or .KEU3 or :3KEU;style chemicals stick;color identity;select .A:64 or .A:85 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:97 or .A:106 or .A:107 or .A:108 or .A:109 or .A:117 or .A:118 or .A:137 or .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG64
2.669
LEU85
3.681
PHE88
3.747
MET89
2.894
ARG90
2.791
ILE91
2.816
LEU92
2.867
VAL97
3.638
ASN106
3.219
ILE107
4.056
HIS108
2.689
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-gamma-glutamyl-gamma-glutamyl-gamma-glutamyl-gamma-glutamylglutamic acid | Ligand Info | |||||
| Structure Description | Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | PDB:1RC0 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [8] |
| PDB Sequence |
ARVAVLISGT
10 GSNLQALIDS20 TREPNSSAQI30 DIVISNKAAV40 AGLDKAERAG50 IPTRVINHKL 60 YKNRVEFDSA70 IDLVLEEFSI80 DIVCLAGFMR90 ILSGPFVQKW100 NGKMLNIHPS 110 LLPSFKGSNA120 HEQALETGVT130 VTGCTVHFVA140 EDVDAGQIIL150 QEAVPVKRGD 160 TVATLSERVK170 LAEHKIFPAA180 LQLVASGTVQ190 LGENGKICWV200 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KT5 or .KT52 or .KT53 or :3KT5;style chemicals stick;color identity;select .A:64 or .A:85 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:97 or .A:106 or .A:107 or .A:108 or .A:109 or .A:117 or .A:118 or .A:137 or .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG64
3.044
LEU85
3.732
PHE88
3.981
MET89
3.066
ARG90
2.912
ILE91
3.098
LEU92
2.949
VAL97
3.776
ASN106
3.197
ILE107
4.001
HIS108
2.780
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-({4-[(1S)-4-(2,4-diamino-6-hydroxypyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxyethyl)butyl]phenyl}carbonyl)-L-gamma-glutamyl-gamma-glutamylglutamic acid | Ligand Info | |||||
| Structure Description | Human GAR Tfase complex structure with polyglutamated 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid | PDB:1RC1 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [9] |
| PDB Sequence |
ARVAVLISGT
10 GSNLQALIDS20 TREPNSSAQI30 DIVISNKAAV40 AGLDKAERAG50 IPTRVINHKL 60 YKNRVEFDSA70 IDLVLEEFSI80 DIVCLAGFMR90 ILSGPFVQKW100 NGKMLNIHPS 110 LLPSFKGSNA120 HEQALETGVT130 VTGCTVHFVA140 EDVDAGQIIL150 QEAVPVKRGD 160 TVATLSERVK170 LAEHKIFPAA180 LQLVASGTVQ190 LGENGKICWV200 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KT3 or .KT32 or .KT33 or :3KT3;style chemicals stick;color identity;select .A:64 or .A:85 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:97 or .A:106 or .A:107 or .A:108 or .A:109 or .A:117 or .A:118 or .A:137 or .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG64
2.817
LEU85
3.808
PHE88
4.007
MET89
3.051
ARG90
2.798
ILE91
2.896
LEU92
2.796
VAL97
3.684
ASN106
3.289
ILE107
4.148
HIS108
2.754
|
|||||
| Ligand Name: 4-[(4-{[(2-Amino-4-oxo-3,4-dihydroquinazolin-6-YL)methyl]amino}benzoyl)amino]butanoic acid | Ligand Info | |||||
| Structure Description | The structure of human glycinamide ribonucleotide transformylase in complex with alpha,beta-N-(hydroxyacetyl)-D-ribofuranosylamine and 10-formyl-5,8,dideazafolate | PDB:1ZLY | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [10] |
| PDB Sequence |
ARVAVLISGT
10 GSNLQALIDS20 TREPNSSAQI30 DIVISNKAAV40 AGLDKAERAG50 IPTRVINHKL 60 YKNRVEFDSA70 IDLVLEEFSI80 DIVCLAGFMR90 ILSGPFVQKW100 NGKMLNIHPS 110 LLPSFKGSNA120 HEQALETGVT130 VTGCTVHFVA140 EDVDAGQIIL150 QEAVPVKRGD 160 TVATLSERVK170 LAEHKIFPAA180 LQLVASGTVQ190 LGENGKICWV200 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DQB or .DQB2 or .DQB3 or :3DQB;style chemicals stick;color identity;select .A:64 or .A:85 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:97 or .A:106 or .A:117 or .A:118 or .A:137 or .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Phospho-beta-D-ribosylamine | Ligand Info | |||||
| Structure Description | The structure of human glycinamide ribonucleotide transformylase in complex with alpha,beta-N-(hydroxyacetyl)-D-ribofuranosylamine and 10-formyl-5,8,dideazafolate | PDB:1ZLY | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [10] |
| PDB Sequence |
ARVAVLISGT
10 GSNLQALIDS20 TREPNSSAQI30 DIVISNKAAV40 AGLDKAERAG50 IPTRVINHKL 60 YKNRVEFDSA70 IDLVLEEFSI80 DIVCLAGFMR90 ILSGPFVQKW100 NGKMLNIHPS 110 LLPSFKGSNA120 HEQALETGVT130 VTGCTVHFVA140 EDVDAGQIIL150 QEAVPVKRGD 160 TVATLSERVK170 LAEHKIFPAA180 LQLVASGTVQ190 LGENGKICWV200 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GRF or .GRF2 or .GRF3 or :3GRF;style chemicals stick;color identity;select .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:85 or .A:86 or .A:87 or .A:106 or .A:107 or .A:108 or .A:109 or .A:170 or .A:173; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural studies of tri-functional human GART. Nucleic Acids Res. 2010 Nov;38(20):7308-19. | ||||
| REF 2 | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor Alpha and the Proton-Coupled Folate Transporter in Human Tumors. J Med Chem. 2015 Sep 10;58(17):6938-59. | ||||
| REF 3 | Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase. Biochemistry. 2016 Aug 16;55(32):4574-82. | ||||
| REF 4 | Discovery of 6-substituted thieno[2,3-d]pyrimidine analogs as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase in de novo purine nucleotide biosynthesis in folate receptor expressing human tumors. doi:10.1016/j.bmc.2021.116093. | ||||
| REF 5 | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor Alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis. J Med Chem. 2016 Sep 8;59(17):7856-76. | ||||
| REF 6 | Biological and structural evaluation of 10R- and 10S-methylthio-DDACTHF reveals a new role for sulfur in inhibition of glycinamide ribonucleotide transformylase. Biochemistry. 2013 Jul 30;52(30):5133-44. | ||||
| REF 7 | Rational design, synthesis, evaluation, and crystal structure of a potent inhibitor of human GAR Tfase: 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,... Biochemistry. 2003 May 27;42(20):6043-56. | ||||
| REF 8 | Human GAR Tfase complex structure | ||||
| REF 9 | Human GAR Tfase complex structure | ||||
| REF 10 | The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase. Biochemistry. 2005 Jul 26;44(29):9841-50. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.