Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T89873 | Target Info | |||
| Target Name | Ferritin (FTH1) | ||||
| Synonyms | PIG15; OK/SW-cl.84; Ferritin heavy chain; Ferritin H subunit; FTHL6; FTH; Cell proliferationinducing gene 15 protein; Cell proliferation-inducing gene 15 protein | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | FTH1 | ||||
| Biochemical Class | Metal ion oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate | Ligand Info | |||
| Canonical SMILES | CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O | ||||
| InChI | 1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20) | ||||
| InChIKey | RVSHKKVKYZTEOC-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 155804525 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6WYF Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [1] |
| PDB Sequence |
TSQVRQNYHQ
14 DSEAAINRQI24 NLELYASYVY34 LSMSYYFDRD44 DVALKNFAKY54 FLHQSHEERE 64 HAEKLMKLQN74 QRGGRIFLQD84 IQKPDEDDWE94 SGLNAMEAAL104 HLEKNVNQSL 114 LELHKLATDK124 NDPHLADFIE134 THYLNEQVKA144 IKELGDHVTN154 LRCMGAPESG 164 LAEYLFDKHT174 LG
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| PDB ID: 6WYH Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [1] |
| PDB Sequence |
STSQVRQNYH
13 QDSEAAINRQ23 INLELYASYV33 YLSMSYYFDR43 DDVALKNFAK53 YFLHQSHEER 63 EHAEKLMKLQ73 NQRGGRIFLQ83 DIQKPDEDDW93 ESGLNAMEAA103 LHLEKNVNQS 113 LLELHKLATD123 KNDPHLADFI133 ETHYLNEQVK143 AIKELGDHVT153 NLRCMGAPES 163 GLAEYLFDKH173 TLG
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| PDB ID: 6WYG Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT agent | ||||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | Yes | [1] |
| PDB Sequence |
TSQVRQNYHQ
14 DSEAAINRQI24 NLELYASYVY34 LSMSYYFDRD44 DVALKNFAKY54 FLHQSHEERE 64 HAEKLMKLQN74 QRGGRIFLQD84 IQKPDEDDWE94 SGLNAMEAAL104 HLEKNVNQSL 114 LELHKLATDK124 NDPHLADFIE134 THYLNEQVKA144 IKELGDHVTN154 LRCMGAPESG 164 LAEYLFDKHT174 LG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks. J Am Chem Soc. 2020 Nov 11;142(45):19402-19410. | ||||
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