Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28226 | Target Info | |||
| Target Name | GTP cyclohydrolase-I (GCH1) | ||||
| Synonyms | Guanosine triphosphate cyclohydrolase I; GTP-CH-I; GTP cyclohydrolase I; GTP cyclohydrolase 1; GCH; DYT5 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GCH1 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: L-phenylalanine | Ligand Info | |||||
| Structure Description | human GCH-GFRP stimulatory complex | PDB:7ALC | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [1] |
| PDB Sequence |
PRSEEDNELN
67 LPNLAAAYSS77 ILSSLGENPQ87 RQGLLKTPWR97 AASAMQFFTK107 GYQETISDVL 117 NDAIFDEDHD127 EMVIVKDIDM137 FSMCEHHLVP147 FVGKVHIGYL157 PNKQVLGLSK 167 LARIVEIYSR177 RLQVQERLTK187 QIAVAITEAL197 RPAGVGVVVE207 ATHMCMNSKT 225 VTSTMLGVFR235 EDPKTREEFL245 TLIR
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| Ligand Name: 7,8-dihydrobiopterin | Ligand Info | |||||
| Structure Description | human GCH-GFRP inhibitory complex 7-deaza-GTP bound | PDB:7ALQ | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [2] |
| PDB Sequence |
PRSEEDNELN
67 LPNLAAAYSS77 ILSSLGENPQ87 RQGLLKTPWR97 AASAMQFFTK107 GYQETISDVL 117 NDAIFDEDHD127 EMVIVKDIDM137 FSMCEHHLVP147 FVGKVHIGYL157 PNKQVLGLSK 167 LARIVEIYSR177 RLQVQERLTK187 QIAVAITEAL197 RPAGVGVVVE207 ATHMCMVMRG 217 VQKMNSKTVT227 STMLGVFRED237 PKTREEFLTL247 IR
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-Imino-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione | Ligand Info | |||||
| Structure Description | human GTP cyclohydrolase I in complex with allosteric inhibitor | PDB:6Z89 | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [1] |
| PDB Sequence |
PRSEEDNELN
67 LPNLAAAYSS77 ILSSLGENPQ87 RQGLLKTPWR97 AASAMQFFTK107 GYQETISDVL 117 NDAIFDEDHD127 EMVIVKDIDM137 FSMCEHHLVP147 FVGKVHIGYL157 PNKQVLGLSK 167 LARIVEIYSR177 RLQVQERLTK187 QIAVAITEAL197 RPAGVGVVVE207 ATHMNSKTVT 227 STMLGVFRED237 PKTREEFLTL247 I
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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 .QBK or .QBK2 or .QBK3 or :3QBK;style chemicals stick;color identity;select .A:228 or .A:229 or .A:230 or .A:235 or .A:241; 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: 2-Azanyl-8-[(4-Fluorophenyl)methylsulfanyl]-1,7-Dihydropurin-6-One | Ligand Info | |||||
| Structure Description | human GCH-GFRP inhibitory complex | PDB:7ALA | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
PRSEEDNELN
67 LPNLAAAYSS77 ILSSLGENPQ87 RQGLLKTPWR97 AASAMQFFTK107 GYQETISDVL 117 NDAIFDEDHD127 EMVIVKDIDM137 FSMCEHHLVP147 FVGKVHIGYL157 PNKQVLGLSK 167 LARIVEIYSR177 RLQVQERLTK187 QIAVAITEAL197 RPAGVGVVVE207 ATHMCSKTVT 227 STMLGVFRED237 PKTREEFLTL247 IR
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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 .5RW or .5RW2 or .5RW3 or :35RW;style chemicals stick;color identity;select .A:127 or .A:128 or .A:129 or .A:157 or .A:200 or .A:233 or .A:237 or .A:239 or .A:240 or .A:243; 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-Deaza-GTP | Ligand Info | |||||
| Structure Description | human GCH-GFRP stimulatory complex 7-deaza-GTP bound | PDB:7ALB | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [1] |
| PDB Sequence |
PRSEEDNELN
67 LPNLAAAYSS77 ILSSLGENPQ87 RQGLLKTPWR97 AASAMQFFTK107 GYQETISDVL 117 NDAIFDEDHD127 EMVIVKDIDM137 FSMCEHHLVP147 FVGKVHIGYL157 PNKQVLGLSK 167 LARIVEIYSR177 RLQVQERLTK187 QIAVAITEAL197 RPAGVGVVVE207 ATHMCMVMRG 217 VQKMNSKTVT227 STMLGVFRED237 PKTREEFLTL247 IR
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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 .QBQ or .QBQ2 or .QBQ3 or :3QBQ;style chemicals stick;color identity;select .A:117 or .A:118 or .A:120 or .A:122 or .A:162 or .A:163 or .A:164 or .A:165 or .A:166 or .A:167 or .A:170; 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 | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I. Proc Natl Acad Sci U S A. 2020 Dec 15;117(50):31838-31849. | ||||
| REF 2 | Biophysical and structural investigation of the regulation of human GTP cyclohydrolase I by its regulatory protein GFRP. J Struct Biol. 2021 Mar;213(1):107691. | ||||
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