Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine monophosphate | Ligand Info | |||||
| Structure Description | FHIT (FRAGILE HISTIDINE TRIAD PROTEIN) IN COMPLEX WITH ADENOSINE/SULFATE AMP ANALOG | PDB:3FIT | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
MSFRFGQHLI
10 KPSVVFLKTE20 LSFALVNRKP30 VVPGHVLVCP40 LRPVERFHDL50 RPDEVADLFQ 60 TTQRVGTVVE70 KHFHGTSLTF80 SQDGPEAGQT91 VKHVHVHVLP101 RKAGDWRSEE 133 EAAEAAALRV144 YF
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| Ligand Name: alphabeta-methyleneADP | Ligand Info | |||||
| Structure Description | FHIT-SUBSTRATE ANALOG | PDB:5FIT | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
SFRFGQHLIK
11 PSVVFLKTEL21 SFALVNRKPV31 VPGHVLVCPL41 RPVERFHDLR51 PDEVADLFQT 61 TQRVGTVVEK71 HFHGTSLTFS81 QDGPEAGQTV92 KHVHVHVLPR102 KAGDASWRSE 132 EEAAEAAALR143 VYFQ
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| Ligand Name: Ado-P-Ch2-P-Ps-Ado | Ligand Info | |||||
| Structure Description | SUBSTRATE ANALOG (IB2) COMPLEX WITH THE HIS 96 ASN SUBSTITUTION OF THE FRAGILE HISTIDINE TRIAD PROTEIN, FHIT | PDB:2FHI | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
SFRFGQHLIK
11 PSVVFLKTEL21 SFALVNRKPV31 VPGHVLVCPL41 RPVERFHDLR51 PDEVADLFQT 61 TQRVGTVVEK71 HFHGTSLTFS81 MQDGPEAGQT91 VKHVNVHVLP101 RKAGDWRSEE 133 EMAAEAAALR143 VYFQ
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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 .IB2 or .IB22 or .IB23 or :3IB2;style chemicals stick;color identity;select .A:5 or .A:8 or .A:10 or .A:25 or .A:26 or .A:27 or .A:28 or .A:29 or .A:31 or .A:35 or .A:37 or .A:79 or .A:80 or .A:81 or .A:83 or .A:89 or .A:90 or .A:91 or .A:92 or .A:96 or .A:98 or .A:100 or .A:102; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE5
2.885
HIS8
4.583
ILE10
3.797
LEU25
4.254
VAL26
3.560
ASN27
3.222
ARG28
3.767
LYS29
4.896
VAL31
4.092
HIS35
3.749
LEU37
2.815
THR79
2.813
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: beta-D-fructofuranose | Ligand Info | |||||
| Structure Description | FHIT (FRAGILE HISTIDINE TRIAD PROTEIN) | PDB:1FIT | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
SFRFGQHLIK
11 PSVVFLKTEL21 SFALVNRKPV31 VPGHVLVCPL41 RPVERFHDLR51 PDEVADLFQT 61 TQRVGTVVEK71 HFHGTSLTFS81 QDGPEAGQTV92 KHVHVHVLPR102 KAGDASWRSE 132 EEAAEAAALR143 VYFQ
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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 .FRU or .FRU2 or .FRU3 or :3FRU;style chemicals stick;color identity;select .A:72 or .A:73 or .A:74 or .A:145; 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: Selenomethionine | Ligand Info | |||||
| Structure Description | FHIT (FRAGILE HISTIDINE TRIAD PROTEIN) | PDB:1FIT | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [1] |
| PDB Sequence |
SFRFGQHLIK
11 PSVVFLKTEL21 SFALVNRKPV31 VPGHVLVCPL41 RPVERFHDLR51 PDEVADLFQT 61 TQRVGTVVEK71 HFHGTSLTFS81 QDGPEAGQTV92 KHVHVHVLPR102 KAGDASWRSE 132 EEAAEAAALR143 VYFQ
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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 .MSE or .MSE2 or .MSE3 or :3MSE;style chemicals stick;color identity;select .A:13 or .A:14 or .A:26 or .A:27 or .A:28 or .A:47 or .A:58 or .A:59 or .A:80 or .A:81 or .A:83 or .A:84 or .A:95 or .A:96 or .A:97 or .A:98 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:136 or .A:137 or .A:138 or .A:139 or .A:140; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER13
4.461
VAL14
3.806
VAL26
3.416
ASN27
3.851
ARG28
3.765
PHE47
3.487
LEU58
4.839
PHE59
3.669
PHE80
4.500
SER81
1.321
GLN83
1.339
ASP84
3.366
VAL95
3.721
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;dihydroxy(oxo)tungsten | Ligand Info | |||||
| Structure Description | FHIT-TRANSITION STATE ANALOG | PDB:6FIT | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [2] |
| PDB Sequence |
SFRFGQHLIK
11 PSVVFLKTEL21 SFALVNRKPV31 VPGHVLVCPL41 RPVERFHDLR51 PDEVADLFQT 61 TQRVGTVVEK71 HFHGTSLTFS81 MQDGPEAGQT91 VKHVHVHVLP101 RKAGDFWRSE 132 EEMAAEAAAL142 RVYFQ
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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 .AMW or .AMW2 or .AMW3 or :3AMW;style chemicals stick;color identity;select .A:5 or .A:8 or .A:10 or .A:25 or .A:26 or .A:27 or .A:28 or .A:29 or .A:35 or .A:37 or .A:83 or .A:89 or .A:90 or .A:91 or .A:92 or .A:96 or .A:98 or .A:135; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [(2~{R},3~{S},4~{R},5~{R})-5-[6-(ethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Ligand Info | |||||
| Structure Description | Crystal structure of Fhit covalently bound to a nucleotide | PDB:7P8P | ||||
| Method | X-ray diffraction | Resolution | 2.34 Å | Mutation | Yes | [4] |
| PDB Sequence |
SFRFGQCLIK
11 PSVVFLKTEL21 SFALVNRKPV31 VPGHVLVCPL41 RPVERFHDLR51 PDEVADLFQT 61 TQRVGTVVEK71 HFHGTSLTFS81 MQDGPEAGQT91 VKHVNVHVLP101 RKAGDFHSWR 130 SEEEMAAEAA140 ALRVYFQH
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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 .6BI or .6BI2 or .6BI3 or :36BI;style chemicals stick;color identity;select .A:5 or .A:8 or .A:10 or .A:25 or .A:26 or .A:27 or .A:28 or .A:29 or .A:35 or .A:37 or .A:83 or .A:89 or .A:90 or .A:91 or .A:92 or .A:96 or .A:98; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| 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. | ||||
| REF 2 | Structure-based analysis of catalysis and substrate definition in the HIT protein family. Science. 1997 Oct 10;278(5336):286-90. | ||||
| REF 3 | Genetic, biochemical, and crystallographic characterization of Fhit-substrate complexes as the active signaling form of Fhit. Proc Natl Acad Sci U S A. 1998 May 12;95(10):5484-9. | ||||
| REF 4 | Chemical Proteomics of the Tumor Suppressor Fhit Covalently Bound to the Cofactor Ap(3)A Elucidates Its Inhibitory Action on Translation. J Am Chem Soc. 2022 May 18;144(19):8613-8623. | ||||
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