Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
FRIH_HUMAN
Ligand General Information  Top
Ligand Name Terephthalohydroxamic acid Ligand Info
Canonical SMILES C1=CC(=CC=C1C(=O)NO)C(=O)NO
InChI 1S/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)
InChIKey YAJCYOUHZABXFT-UHFFFAOYSA-N
PubChem Compound ID 88356
Drug Binding Sites of Target  Top
PDB ID: 5UP8      Crystal Structure of the Zn-bound Human Heavy-Chain variant 122H-delta C-star with para-benzenedihydroxamate
Method X-ray diffraction Resolution 2.63 Å Mutation Yes [1]
PDB Sequence
STSQVRQNYH
13
QDSEAAINRQ
23
INLELYASYV
33
YLSMSYYFDR
43
DDVALKNFAK
53

YFLHQSHEER
63
EHAEKLMKLQ
73
NQRGGRIFLQ
83
DIQKPDEDDW
93
ESGLNAMEAA
103

LHLEKNVNQS
113
LLELHKLAHD
123
KNDPHLADFI
133
ETHYLNEQVK
143
AIKELGDHVT
153

NLRKMGAPES
163
GLAEYLFDKH
173
TLGDSD
Residue
Distance (Å)
HIS122
2.363
Residue
Distance (Å)
ASN125
4.635
PDB ID: 5CMR      Crystal Structure of Linker-Mediated Zn-bound Human H-Ferritin variant 122H-delta C-star
Method X-ray diffraction Resolution 3.79 Å Mutation Yes [2]
PDB Sequence
TSQVRQNYHQ
14
DSEAAINRQI
24
NLELYASYVY
34
LSMSYYFDRD
44
DVALKNFAKY
54

FLHQSHEERE
64
HAEKLMKLQN
74
QRGGRIFLQD
84
IAKPDEDDWE
94
SGLNAMEAAL
104

HLEKNVNQSL
114
LELHKLAHDK
124
NDPHLADFIE
134
THYLNEQVKA
144
IKELGDHVTN
154

LRKMGAPESG
164
LAEYLFDKHT
174
LGD
Residue
Distance (Å)
HIS122
2.934
Residue
Distance (Å)
References  Top
REF 1 Synthetic Modularity of Protein-Metal-Organic Frameworks. J Am Chem Soc. 2017 Jun 21;139(24):8160-8166.
REF 2 A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals. J Am Chem Soc. 2015 Sep 16;137(36):11598-601.

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