Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 7-Deaza-GTP | Ligand Info | |||
| Canonical SMILES | C1=CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O | ||||
| InChI | 1S/C11H17N4O14P3/c12-11-13-8-4(9(18)14-11)1-2-15(8)10-7(17)6(16)5(27-10)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,5-7,10,16-17H,3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,13,14,18)/t5-,6-,7-,10-/m1/s1 | ||||
| InChIKey | NOXMCJDDSWCSIE-DAGMQNCNSA-N | ||||
| PubChem Compound ID | 135430959 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6Z86 human GTP cyclohydrolase I in complex with 7-deaza-GTP | ||||||
| Method | X-ray diffraction | Resolution | 2.21 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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| PDB ID: 7ALB human GCH-GFRP stimulatory complex 7-deaza-GTP bound | ||||||
| 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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| PDB ID: 7ALQ human GCH-GFRP inhibitory complex 7-deaza-GTP bound | ||||||
| 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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| 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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