Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cisplatin | Ligand Info | |||||
| Structure Description | X-ray structure of human heavy chain ferritin in complex with cisplatin | PDB:5N26 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [1] |
| PDB Sequence |
ASTSQVRQNY
12 HQDSEAAINR22 QINLELYASY32 VYLSMSYYFD42 RDDVALKNFA52 KYFLHQSHEE 62 REHAEKLMKL72 QNQRGGRIFL82 QDIKKPDCDD92 WESGLNAMEC102 ALHLEKNVNQ 112 SLLELHKLAT122 DKNDPHLCDF132 IETHYLNEQV142 KAIKELGDHV152 TNLRKMGAPE 162 SGLAEYLFDK172 HTLG
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| Ligand Name: Butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate | Ligand Info | |||||
| Structure Description | Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution | PDB:6WYF | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [2] |
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Bis(Azanyl)-Chloranyl-Oxidanyl-Platinum | Ligand Info | |||||
| Structure Description | X-ray structure of human heavy chain ferritin in complex with cisplatin | PDB:5N26 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [1] |
| PDB Sequence |
ASTSQVRQNY
12 HQDSEAAINR22 QINLELYASY32 VYLSMSYYFD42 RDDVALKNFA52 KYFLHQSHEE 62 REHAEKLMKL72 QNQRGGRIFL82 QDIKKPDCDD92 WESGLNAMEC102 ALHLEKNVNQ 112 SLLELHKLAT122 DKNDPHLCDF132 IETHYLNEQV142 KAIKELGDHV152 TNLRKMGAPE 162 SGLAEYLFDK172 HTLG
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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 .73M or .73M2 or .73M3 or :373M;style chemicals stick;color identity;select .A:105 or .A:106 or .A:108 or .A:109; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Terephthalohydroxamic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of the Zn-bound Human Heavy-Chain variant 122H-delta C-star with para-benzenedihydroxamate | PDB:5UP8 | ||||
| Method | X-ray diffraction | Resolution | 2.63 Å | Mutation | Yes | [3] |
| PDB Sequence |
STSQVRQNYH
13 QDSEAAINRQ23 INLELYASYV33 YLSMSYYFDR43 DDVALKNFAK53 YFLHQSHEER 63 EHAEKLMKLQ73 NQRGGRIFLQ83 DIQKPDEDDW93 ESGLNAMEAA103 LHLEKNVNQS 113 LLELHKLAHD123 KNDPHLADFI133 ETHYLNEQVK143 AIKELGDHVT153 NLRKMGAPES 163 GLAEYLFDKH173 TLGDSD
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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 .BYD or .BYD2 or .BYD3 or :3BYD;style chemicals stick;color identity;select .A:122 or .A:125; color #f3c393; 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: N~2~,N~5~-dihydroxyfuran-2,5-dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Ni-bound Human Heavy-chain variant 122H-delta C-star with 2,5-furandihyrdoxamate collected at 100K | PDB:7JGK | ||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | Yes | [4] |
| PDB Sequence |
TSQVRQNYHQ
14 DSEAAINRQI24 NLELYASYVY34 LSMSYYFDRD44 DVALKNFAKY54 FLHQSHEERE 64 HAEKLMKLQN74 QRGGRIFLQD84 IQKPDEDDWE94 SGLNAMEAAL104 HLEKNVNQSL 114 LELHKLAHDK124 NDPHLADFIE134 THYLNEQVKA144 IKELGDHVTN154 LRKMGAPESG 164 LAEYLFDKHT174 LGDS
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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 .V9Y or .V9Y2 or .V9Y3 or :3V9Y;style chemicals stick;color identity;select .A:122; 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: 1,5-Aedans | Ligand Info | |||||
| Structure Description | Crystal structure of the Cu-adduct of human H-Ferritin variant MIC1 labeled with a dansyl fluorophore | PDB:4DZ0 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [5] |
| PDB Sequence |
TSQVRQNYHQ
14 DSEAAINRQI24 NLELYASYVY34 LSMSEYFDRD44 DVALKNFACY54 FHHQSHEEHE 64 HAHKLMKLQE74 QRGGRIFLQD84 IQKADEDDWE94 SGLNAMEAAL104 HLEKNVNQSL 114 LELHKLATDK124 NDPHLADFIE134 THYLNEQVKA144 IKELGDHVTN154 LRKMGAPESG 164 LAEYLFDKHT174 LG
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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 .AEN or .AEN2 or .AEN3 or :3AEN;style chemicals stick;color identity;select .A:49 or .A:52 or .A:53 or .A:56 or .A:57 or .A:60; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cisplatin Binding Sites in Human H-Chain Ferritin. Inorg Chem. 2017 Aug 7;56(15):9064-9070. | ||||
| REF 2 | Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks. J Am Chem Soc. 2020 Nov 11;142(45):19402-19410. | ||||
| REF 3 | Synthetic Modularity of Protein-Metal-Organic Frameworks. J Am Chem Soc. 2017 Jun 21;139(24):8160-8166. | ||||
| REF 4 | Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J Am Chem Soc. 2020 Oct 14;142(41):17265-17270. | ||||
| REF 5 | Re-engineering protein interfaces yields copper-inducible ferritin cage assembly. Nat Chem Biol. 2013 Mar;9(3):169-76. | ||||
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