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 T59720 Target Info
Target Name Fragile histidine triad protein (FHIT)
Synonyms Fragile histidinetriad protein; Fragile histidinetriad (FHIT) gene; Dinucleosidetriphosphatase; Diadenosine 5',5'''-P1,P3-triphosphate hydrolase; Bis(5'-adenosyl)-triphosphatase; AP3AASE; AP3A hydrolase
Target Type Successful Target
Gene Name FHIT
Biochemical Class Acid anhydride hydrolase
UniProt ID
FHIT_HUMAN
Ligand General Information  Top
Ligand Name beta-D-fructofuranose Ligand Info
Canonical SMILES C(C1C(C(C(O1)(CO)O)O)O)O
InChI 1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey RFSUNEUAIZKAJO-ARQDHWQXSA-N
PubChem Compound ID 439709
Drug Binding Sites of Target  Top
PDB ID: 1FIT      FHIT (FRAGILE HISTIDINE TRIAD PROTEIN)
Method X-ray diffraction Resolution 1.85 Å Mutation Yes [1]
PDB Sequence
SFRFGQHLIK
11
PSVVFLKTEL
21
SFALVNRKPV
31
VPGHVLVCPL
41
RPVERFHDLR
51

PDEVADLFQT
61
TQRVGTVVEK
71
HFHGTSLTFS
81
QDGPEAGQTV
92
KHVHVHVLPR
102

KAGDASWRSE
132
EEAAEAAALR
143
VYFQ
Residue
Distance (Å)
HIS72
2.887
PHE73
3.219
Residue
Distance (Å)
HIS74
3.292
TYR145
4.871
PDB ID: 2FIT      FHIT (FRAGILE HISTIDINE TRIAD PROTEIN)
Method X-ray diffraction Resolution 1.90 Å Mutation Yes [1]
PDB Sequence
SFRFGQHLIK
11
PSVVFLKTEL
21
SFALVNRKPV
31
VPGHVLVCPL
41
RPVERFHDLR
51

PDEVADLFQT
61
TQRVGTVVEK
71
HFHGTSLTFS
81
QDGPEAGQTV
92
KHVHVHVLPR
102

KAGDFHFPAS
128
WRSEEEAAEA
139
AALRVYFQ
Residue
Distance (Å)
HIS72
3.056
PHE73
2.970
Residue
Distance (Å)
HIS74
3.104
TYR145
4.828
PDB ID: 3FIT      FHIT (FRAGILE HISTIDINE TRIAD PROTEIN) IN COMPLEX WITH ADENOSINE/SULFATE AMP ANALOG
Method X-ray diffraction Resolution 2.40 Å Mutation Yes [1]
PDB Sequence
MSFRFGQHLI
10
KPSVVFLKTE
20
LSFALVNRKP
30
VVPGHVLVCP
40
LRPVERFHDL
50

RPDEVADLFQ
60
TTQRVGTVVE
70
KHFHGTSLTF
80
SQDGPEAGQT
91
VKHVHVHVLP
101

RKAGDWRSEE
133
EAAEAAALRV
144
YF
Residue
Distance (Å)
HIS72
2.866
PHE73
3.665
Residue
Distance (Å)
HIS74
3.352
TYR145
4.600
References  Top
REF 1 MAD analysis of FHIT, a putative human tumor suppressor from the HIT protein family. Structure. 1997 Jun 15;5(6):763-74.

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