Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Glycinamide Ribonucleotide | Ligand Info | |||
| Canonical SMILES | C(C1C(C(C(O1)NC(=O)CN)O)O)OP(=O)(O)O | ||||
| InChI | 1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7-/m1/s1 | ||||
| InChIKey | OBQMLSFOUZUIOB-SHUUEZRQSA-N | ||||
| PubChem Compound ID | 160913 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1MEN complex structure of human GAR Tfase and substrate beta-GAR | ||||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [1] |
| PDB Sequence |
RILVAVLISG
9 TGSNLQALID19 STREPNSSAQ29 IDIVISNKAA39 VAGLDKAERA49 GIPTRVINHK 59 LYKNRVEFDS69 AIDLVLEEFS79 IDIVCLAGFM89 RILSGPFVQK99 WNGKMLNIHP 109 SLLPSFKGSN119 AHEQALETGV129 TVTGCTVHFV139 AEDVDAGQII149 LQEAVPVKRG 159 DTVATLSERV169 KLAEHKIFPA179 ALQLVASGTV189 QLGENGKICW199 V |
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| PDB ID: 4ZZ1 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 | ||||||
| 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 |
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| PDB ID: 4ZZ2 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 | ||||||
| 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 |
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| PDB ID: 4ZYZ 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:928 or .A:951 or .A:977 or .A:980; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4ZYX 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:895 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:928 or .A:977 or .A:980; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4ZZ0 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:928 or .A:951 or .A:977 or .A:980; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4ZYT 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:928 or .A:951 or .A:977 or .A:980; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4ZYY 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:895 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:928 or .A:951 or .A:977 or .A:980; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY816
4.178
THR817
3.507
GLY818
2.847
SER819
2.520
ASN820
3.060
LEU821
4.629
ALA893
4.138
GLY894
3.606
PHE895
4.973
MET896
3.818
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| PDB ID: 4ZYU 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:977 or .A:980; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 7JG0 Human GAR transformylase in complex with GAR substrate and AGF102 inhibitor | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:815 or .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:892 or .A:893 or .A:894 or .A:895 or .A:912 or .A:913 or .A:914 or .A:915 or .A:923 or .A:924 or .A:927 or .A:950 or .A:972 or .A:976 or .A:979; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY815
4.132
THR816
3.456
GLY817
2.845
SER818
2.545
ASN819
2.733
LEU820
4.556
ALA892
3.991
GLY893
2.955
PHE894
3.988
MET895
2.714
ASN912
4.122
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| PDB ID: 4ZYV 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:895 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:928 or .A:951 or .A:977 or .A:980; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY816
4.207
THR817
3.606
GLY818
2.840
SER819
2.624
ASN820
2.978
LEU821
4.595
ALA893
4.183
GLY894
3.558
PHE895
4.897
MET896
3.619
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| PDB ID: 4ZYW 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:895 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:928 or .A:977 or .A:980; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7JG3 Human GAR transformylase in complex with GAR substrate and AGF103 inhibitor | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:895 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:926 or .A:928 or .A:951 or .A:977 or .A:980; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY816
4.210
THR817
3.516
GLY818
2.879
SER819
2.642
ASN820
2.704
LEU821
4.469
ALA893
3.909
GLY894
2.913
PHE895
3.918
MET896
3.043
ASN913
4.014
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| PDB ID: 5J9F 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) | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:895 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:928 or .A:951 or .A:977 or .A:980; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY816
4.160
THR817
3.557
GLY818
2.848
SER819
2.646
ASN820
2.957
LEU821
4.557
ALA893
4.211
GLY894
3.519
PHE895
4.738
MET896
3.908
|
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| PDB ID: 7JG4 Human GAR transformylase in complex with GAR substrate and AGF131 inhibitor | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:895 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:924 or .A:925 or .A:951 or .A:977 or .A:980; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4ZZ3 Human GAR transformylase in complex with GAR and pemetrexed | ||||||
| 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;style chemicals stick;color identity;select .A:816 or .A:817 or .A:818 or .A:819 or .A:820 or .A:821 or .A:893 or .A:894 or .A:895 or .A:896 or .A:913 or .A:914 or .A:915 or .A:916 or .A:925 or .A:977 or .A:980; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 1RBY Human GAR Tfase complex structure with 10-(trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic acid and substrate beta-GAR | ||||||
| Method | X-ray diffraction | Resolution | 2.10 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 |
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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 .GAR or .GAR2 or .GAR3 or :3GAR;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:88 or .A:89 or .A:106 or .A:107 or .A:108 or .A:109 or .A:170 or .A:173; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of human GAR Tfase at low and high pH and with substrate beta-GAR. Biochemistry. 2002 Dec 3;41(48):14206-15. | ||||
| 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 | Human GAR Tfase complex structure | ||||
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