SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4gnk'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)

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	DrReposER ID / Desc.	Hit PDBID	Hit Macromolecule	Res. Matches	Interface	HETATM	RMSD	Dali Z-score	Seq. Identity (%)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1C9H_A_RAPA108_1 (FKBP12.6)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.88A	1c9hA-4gnkB: undetectable	1c9hA-4gnkB: 7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1C9H_A_RAPA108_1 (FKBP12.6)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	GLU B 778 VAL B 732 ILE B 840 VAL B 813 ILE B 816	None	1.03A	1c9hA-4gnkB: undetectable	1c9hA-4gnkB: 7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1FAP_A_RAPA108_1 (FK506-BINDING PROTEIN)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.91A	1fapA-4gnkB: undetectable	1fapA-4gnkB: 7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1FKB_A_RAPA108_1 (FK506 BINDING PROTEIN)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.87A	1fkbA-4gnkB: undetectable	1fkbA-4gnkB: 7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1FKL_A_RAPA108_1 (FK506 BINDING PROTEIN)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.90A	1fklA-4gnkB: undetectable	1fklA-4gnkB: 6.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1JHO_A_NIOA991_1 (NICOTINATE MONONUCLEOTIDE:5,6-D IMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSF ERASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 9	GLY B 651 GLY B 339 LEU B 341 SER B 656 ARG B 653	None	1.32A	1jhoA-4gnkB: undetectable	1jhoA-4gnkB: 15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1JHR_A_NIOA991_1 (NICOTINATE MONONUCLEOTIDE:5,6-D IMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSF ERASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 9	GLY B 651 GLY B 339 LEU B 341 SER B 656 ARG B 653	None	1.30A	1jhrA-4gnkB: undetectable	1jhrA-4gnkB: 15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1MMT_A_H4BA1426_1 (PHENYLALANINE-4-HYDR OXYLASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 11	VAL B 730 LEU B 794 SER B 793 THR B 842 TYR B 692	None	1.29A	1mmtA-4gnkB: undetectable	1mmtA-4gnkB: 13.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	1ZZ1_B_SHHB2552_1 (HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	LEU B 160 ILE B 175 PHE B 179 PHE B 216 PHE B 208	None	1.22A	1zz1B-4gnkB: undetectable 1zz1C-4gnkB: undetectable	1zz1B-4gnkB: 15.58 1zz1C-4gnkB: 15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2CML_C_ZMRC3478_1 (NEURAMINIDASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 8	SER B 202 SER B 200 ASN B 165 GLN B 166	None	1.09A	2cmlC-4gnkB: undetectable	2cmlC-4gnkB: 14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2DG3_A_RAPA501_1 (FK506-BINDING PROTEIN 1A)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 11	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.89A	2dg3A-4gnkB: undetectable	2dg3A-4gnkB: 7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2DG4_A_RAPA501_1 (FK506-BINDING PROTEIN 1A)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 11	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.91A	2dg4A-4gnkB: undetectable	2dg4A-4gnkB: 7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2E7F_A_C2FA3000_0 (5-METHYLTETRAHYDROFO LATE CORRINOID/IRON SULFUR PROTEIN METHYLTRANSFERASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	PHE B 805 LEU B 308 GLY B 688 ASN B 830 ILE B 810	None	1.31A	2e7fA-4gnkB: 6.6	2e7fA-4gnkB: 12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2E7F_B_C2FB4000_0 (5-METHYLTETRAHYDROFO LATE CORRINOID/IRON SULFUR PROTEIN METHYLTRANSFERASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	PHE B 805 LEU B 308 GLY B 688 ASN B 830 ILE B 810	None	1.32A	2e7fB-4gnkB: 6.9	2e7fB-4gnkB: 12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2EIK_J_CHDJ60_0 (CYTOCHROME C OXIDASE POLYPEPTIDE VIIA-HEART CYTOCHROME C OXIDASE SUBUNIT 1)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 7	LEU B 118 PHE B 120 ARG B 44 THR B 55	None	1.11A	2eikA-4gnkB: undetectable 2eikJ-4gnkB: undetectable	2eikA-4gnkB: 17.30 2eikJ-4gnkB: 6.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2HKK_A_ALEA300_1 (CARBONIC ANHYDRASE 2)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 6	ASN B 305 ILE B 250 GLN B 254 THR B 842	None	1.24A	2hkkA-4gnkB: undetectable	2hkkA-4gnkB: 11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2OAX_B_SNLB2001_1 (MINERALOCORTICOID RECEPTOR)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	LEU B 315 LEU B 313 ALA B 312 ARG B 809 LEU B 699	None	1.26A	2oaxB-4gnkB: undetectable	2oaxB-4gnkB: 12.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2PO7_B_CHDB503_0 (FERROCHELATASE, MITOCHONDRIAL)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	3 / 3	LEU B 453 PRO B 454 LEU B 323	None	0.46A	2po7B-4gnkB: undetectable	2po7B-4gnkB: 14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2QD5_A_CHDA702_0 (FERROCHELATASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	3 / 3	LEU B 788 PRO B 789 ARG B 706	None	0.65A	2qd5A-4gnkB: 3.2	2qd5A-4gnkB: 14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	2YLP_A_TESA1921_1 (ANDROGEN RECEPTOR)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 11	LEU B 315 LEU B 313 ARG B 809 LEU B 699 THR B 317	None	1.25A	2ylpA-4gnkB: undetectable	2ylpA-4gnkB: 11.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3G4L_D_ROFD904_1 (CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	3 / 3	ASN B 773 MET B 178 PHE B 737	None	1.10A	3g4lD-4gnkB: undetectable	3g4lD-4gnkB: 15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3HCR_A_CHDA4_0 (FERROCHELATASE, MITOCHONDRIAL)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	3 / 3	LEU B 453 PRO B 454 LEU B 323	None	0.44A	3hcrA-4gnkB: 3.4	3hcrA-4gnkB: 14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3PS9_A_SAMA670_1 (TRNA 5-METHYLAMINOMETHYL- 2-THIOURIDINE BIOSYNTHESIS BIFUNCTIONAL PROTEIN MNMC)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 6	TYR B 279 GLY B 302 LEU B 300 GLU B 303	None	0.97A	3ps9A-4gnkB: undetectable	3ps9A-4gnkB: 20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3RV5_B_DXCB92_0 (TROPONIN C, SLOW SKELETAL AND CARDIAC MUSCLES)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 5	VAL B 107 VAL B 106 ARG B 73 LYS B 137	None	1.17A	3rv5A-4gnkB: 4.5 3rv5B-4gnkB: 1.6	3rv5A-4gnkB: 5.87 3rv5B-4gnkB: 5.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	3SUF_B_SUEB1201_3 (NS3 PROTEASE, NS4A PROTEIN)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 5	SER B 200 ARG B 169 PRO B 171 VAL B 172	None	1.30A	3sufC-4gnkB: undetectable	3sufC-4gnkB: 10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4DRJ_A_RAPA201_1 (PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP4)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 11	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.71A	4drjA-4gnkB: undetectable	4drjA-4gnkB: 7.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4LNX_A_T3A502_2 (THYROID HORMONE RECEPTOR ALPHA)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	3 / 3	ILE E 945 MET E1086 ARG E1089	None	0.95A	4lnxA-4gnkE: undetectable	4lnxA-4gnkE: 23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4O8Z_A_BBIA402_1 (NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 5	PHE B 28 PHE B 120 LEU B 90 PRO B 81	None	1.45A	4o8zA-4gnkB: undetectable	4o8zA-4gnkB: 13.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4QT2_A_RAPA202_1 (FK506-BINDING PROTEIN (FKBP)-TYPE PEPTIDYL-PROPYL ISOMERASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 10	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.84A	4qt2A-4gnkB: undetectable	4qt2A-4gnkB: 7.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4QT3_A_RAPA202_1 (FK506-BINDING PROTEIN (FKBP)-TYPE PEPTIDYL-PROPYL ISOMERASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 10	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.84A	4qt3A-4gnkB: undetectable	4qt3A-4gnkB: 7.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	4QTU_D_SAMD301_1 (PUTATIVE METHYLTRANSFERASE BUD23)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 5	GLN B 643 LEU B 644 SER B 645 ASP B 713	None	1.26A	4qtuD-4gnkB: undetectable	4qtuD-4gnkB: 10.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5HKG_A_RAPA201_1 (PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP1B)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	ASP B 851 GLU B 717 VAL B 718 ILE B 719 TYR B 847	None	0.91A	5hkgA-4gnkB: undetectable	5hkgA-4gnkB: 7.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5HW8_D_FK5D201_1 (FK506-BINDING PROTEIN 1)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 11	ASP B 851 VAL B 718 ILE B 719 TYR B 847 ILE B 848	None	0.89A	5hw8D-4gnkB: undetectable	5hw8D-4gnkB: 7.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5KBW_A_RBFA201_1 (RIBOFLAVIN TRANSPORTER RIBU)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	GLU E1164 LEU E1158 LEU E 957 ALA E1075 ASN E1076	None	1.13A	5kbwA-4gnkE: 1.9	5kbwA-4gnkE: 16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5LJB_A_RTLA201_0 (RETINOL-BINDING PROTEIN 1)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	LEU B 355 SER B 132 PHE B 136 TYR B 77 LEU B 80	None	1.13A	5ljbA-4gnkB: undetectable	5ljbA-4gnkB: 8.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5LJC_A_RTLA201_0 (RETINOL-BINDING PROTEIN 1)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	LEU B 355 SER B 132 PHE B 136 TYR B 77 LEU B 80	None	1.14A	5ljcA-4gnkB: undetectable	5ljcA-4gnkB: 7.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5LJE_A_RTLA201_0 (RETINOL-BINDING PROTEIN 1)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	LEU B 355 SER B 132 PHE B 136 TYR B 77 LEU B 80	None	1.13A	5ljeA-4gnkB: undetectable	5ljeA-4gnkB: 7.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5U4S_B_BEZB301_0 (PUTATIVE SHORT CHAIN DEHYDROGENASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 8	ILE B 250 LEU B 246 MET B 291 LEU B 241	None	0.83A	5u4sB-4gnkB: undetectable	5u4sB-4gnkB: 12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	5UMW_F_RBFF201_1 (GLYOXALASE/BLEOMYCIN RESISANCE PROTEIN/DIOXYGENASE)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 7	LEU B 210 TYR B 279 GLU B 303 SER B 148	None	1.24A	5umwA-4gnkB: undetectable 5umwF-4gnkB: undetectable	5umwA-4gnkB: 5.30 5umwF-4gnkB: 5.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6CB4_A_BEZA501_0 (CANAVALIN)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 8	ASN B 830 LEU B 811 ILE B 810 ARG B 826	None	0.91A	6cb4A-4gnkB: undetectable	6cb4A-4gnkB: 16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6DJZ_A_GMJA301_0 (SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	5 / 12	VAL B 823 THR B 842 VAL B 730 LEU B 791 ALA B 792	None	1.23A	6djzA-4gnkB: undetectable	6djzA-4gnkB: 10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6H7L_A_Y00A406_1 (BETA-1 ADRENERGIC RECEPTOR)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 6	GLY B 301 LEU B 300 PHE B 737 PHE B 179	None	0.72A	6h7lA-4gnkB: undetectable	6h7lA-4gnkB: 4.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.	6H7L_B_Y00B405_1 (BETA-1 ADRENERGIC RECEPTOR)	4gnk	1-PHOSPHATIDYLINOSIT OL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3 (Homo sapiens)	4 / 6	GLY B 301 LEU B 300 PHE B 737 PHE B 179	None	0.72A	6h7lB-4gnkB: undetectable	6h7lB-4gnkB: 4.62

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1C9H_A_RAPA108_1","FKBP12.6","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.88A","1c9hA-4gnkB:undetectable","1c9hA-4gnkB:7.06"],["1C9H_A_RAPA108_1","FKBP12.6","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"GLU B 778;VAL B 732;ILE B 840;VAL B 813;ILE B 816","None","1.03A","1c9hA-4gnkB:undetectable","1c9hA-4gnkB:7.06"],["1FAP_A_RAPA108_1","FK506-BINDING PROTEIN","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.91A","1fapA-4gnkB:undetectable","1fapA-4gnkB:7.06"],["1FKB_A_RAPA108_1","FK506 BINDING PROTEIN","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.87A","1fkbA-4gnkB:undetectable","1fkbA-4gnkB:7.06"],["1FKL_A_RAPA108_1","FK506 BINDING PROTEIN","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.90A","1fklA-4gnkB:undetectable","1fklA-4gnkB:6.88"],["1JHO_A_NIOA991_1","NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"GLY B 651;GLY B 339;LEU B 341;SER B 656;ARG B 653","None","1.32A","1jhoA-4gnkB:undetectable","1jhoA-4gnkB:15.14"],["1JHR_A_NIOA991_1","NICOTINATE MONONUCLEOTIDE:5,6-DIMETHYLBENZIMIDAZOLE PHOSPHORIBOSYLTRANSFERASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"GLY B 651;GLY B 339;LEU B 341;SER B 656;ARG B 653","None","1.30A","1jhrA-4gnkB:undetectable","1jhrA-4gnkB:15.14"],["1MMT_A_H4BA1426_1","PHENYLALANINE-4-HYDROXYLASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"VAL B 730;LEU B 794;SER B 793;THR B 842;TYR B 692","None","1.29A","1mmtA-4gnkB:undetectable","1mmtA-4gnkB:13.93"],["1ZZ1_B_SHHB2552_1","HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE;HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"LEU B 160;ILE B 175;PHE B 179;PHE B 216;PHE B 208","None","1.22A","1zz1B-4gnkB:undetectable;1zz1C-4gnkB:undetectable","1zz1B-4gnkB:15.58;1zz1C-4gnkB:15.58"],["2CML_C_ZMRC3478_1","NEURAMINIDASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"SER B 202;SER B 200;ASN B 165;GLN B 166","None","1.09A","2cmlC-4gnkB:undetectable","2cmlC-4gnkB:14.41"],["2DG3_A_RAPA501_1","FK506-BINDING PROTEIN 1A","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.89A","2dg3A-4gnkB:undetectable","2dg3A-4gnkB:7.06"],["2DG4_A_RAPA501_1","FK506-BINDING PROTEIN 1A","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.91A","2dg4A-4gnkB:undetectable","2dg4A-4gnkB:7.06"],["2E7F_A_C2FA3000_0","5-METHYLTETRAHYDROFOLATE CORRINOID\/IRON SULFUR PROTEIN METHYLTRANSFERASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"PHE B 805;LEU B 308;GLY B 688;ASN B 830;ILE B 810","None","1.31A","2e7fA-4gnkB:6.6","2e7fA-4gnkB:12.15"],["2E7F_B_C2FB4000_0","5-METHYLTETRAHYDROFOLATE CORRINOID\/IRON SULFUR PROTEIN METHYLTRANSFERASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"PHE B 805;LEU B 308;GLY B 688;ASN B 830;ILE B 810","None","1.32A","2e7fB-4gnkB:6.9","2e7fB-4gnkB:12.15"],["2EIK_J_CHDJ60_0","CYTOCHROME C OXIDASE POLYPEPTIDE VIIA-HEART;CYTOCHROME C OXIDASE SUBUNIT 1","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"LEU B 118;PHE B 120;ARG B  44;THR B  55","None","1.11A","2eikA-4gnkB:undetectable;2eikJ-4gnkB:undetectable","2eikA-4gnkB:17.30;2eikJ-4gnkB:6.23"],["2HKK_A_ALEA300_1","CARBONIC ANHYDRASE 2","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"ASN B 305;ILE B 250;GLN B 254;THR B 842","None","1.24A","2hkkA-4gnkB:undetectable","2hkkA-4gnkB:11.34"],["2OAX_B_SNLB2001_1","MINERALOCORTICOID RECEPTOR","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"LEU B 315;LEU B 313;ALA B 312;ARG B 809;LEU B 699","None","1.26A","2oaxB-4gnkB:undetectable","2oaxB-4gnkB:12.54"],["2PO7_B_CHDB503_0","FERROCHELATASE, MITOCHONDRIAL","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",3,"LEU B 453;PRO B 454;LEU B 323","None","0.46A","2po7B-4gnkB:undetectable","2po7B-4gnkB:14.46"],["2QD5_A_CHDA702_0","FERROCHELATASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",3,"LEU B 788;PRO B 789;ARG B 706","None","0.65A","2qd5A-4gnkB:3.2","2qd5A-4gnkB:14.63"],["2YLP_A_TESA1921_1","ANDROGEN RECEPTOR","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"LEU B 315;LEU B 313;ARG B 809;LEU B 699;THR B 317","None","1.25A","2ylpA-4gnkB:undetectable","2ylpA-4gnkB:11.26"],["3G4L_D_ROFD904_1","CAMP-SPECIFIC 3',5'-CYCLIC PHOSPHODIESTERASE 4D","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",3,"ASN B 773;MET B 178;PHE B 737","None","1.10A","3g4lD-4gnkB:undetectable","3g4lD-4gnkB:15.84"],["3HCR_A_CHDA4_0","FERROCHELATASE, MITOCHONDRIAL","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",3,"LEU B 453;PRO B 454;LEU B 323","None","0.44A","3hcrA-4gnkB:3.4","3hcrA-4gnkB:14.63"],["3PS9_A_SAMA670_1","TRNA 5-METHYLAMINOMETHYL-2-THIOURIDINE BIOSYNTHESIS BIFUNCTIONAL PROTEIN MNMC","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"TYR B 279;GLY B 302;LEU B 300;GLU B 303","None","0.97A","3ps9A-4gnkB:undetectable","3ps9A-4gnkB:20.56"],["3RV5_B_DXCB92_0","TROPONIN C, SLOW SKELETAL AND CARDIAC MUSCLES","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"VAL B 107;VAL B 106;ARG B  73;LYS B 137","None","1.17A","3rv5A-4gnkB:4.5;3rv5B-4gnkB:1.6","3rv5A-4gnkB:5.87;3rv5B-4gnkB:5.87"],["3SUF_B_SUEB1201_3","NS3 PROTEASE, NS4A PROTEIN;NS3 PROTEASE, NS4A PROTEIN","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"SER B 200;ARG B 169;PRO B 171;VAL B 172","None","1.30A","3sufC-4gnkB:undetectable","3sufC-4gnkB:10.86"],["4DRJ_A_RAPA201_1","PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP4","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.71A","4drjA-4gnkB:undetectable","4drjA-4gnkB:7.82"],["4LNX_A_T3A502_2","THYROID HORMONE RECEPTOR ALPHA","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",3,"ILE E 945;MET E1086;ARG E1089","None","0.95A","4lnxA-4gnkE:undetectable","4lnxA-4gnkE:23.45"],["4O8Z_A_BBIA402_1","NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-3, MITOCHONDRIAL","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"PHE B  28;PHE B 120;LEU B  90;PRO B  81","None","1.45A","4o8zA-4gnkB:undetectable","4o8zA-4gnkB:13.47"],["4QT2_A_RAPA202_1","FK506-BINDING PROTEIN (FKBP)-TYPE PEPTIDYL-PROPYL ISOMERASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.84A","4qt2A-4gnkB:undetectable","4qt2A-4gnkB:7.46"],["4QT3_A_RAPA202_1","FK506-BINDING PROTEIN (FKBP)-TYPE PEPTIDYL-PROPYL ISOMERASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.84A","4qt3A-4gnkB:undetectable","4qt3A-4gnkB:7.70"],["4QTU_D_SAMD301_1","PUTATIVE METHYLTRANSFERASE BUD23","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"GLN B 643;LEU B 644;SER B 645;ASP B 713","None","1.26A","4qtuD-4gnkB:undetectable","4qtuD-4gnkB:10.77"],["5HKG_A_RAPA201_1","PEPTIDYL-PROLYL CIS-TRANS ISOMERASE FKBP1B","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;GLU B 717;VAL B 718;ILE B 719;TYR B 847","None","0.91A","5hkgA-4gnkB:undetectable","5hkgA-4gnkB:7.06"],["5HW8_D_FK5D201_1","FK506-BINDING PROTEIN 1","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"ASP B 851;VAL B 718;ILE B 719;TYR B 847;ILE B 848","None","0.89A","5hw8D-4gnkB:undetectable","5hw8D-4gnkB:7.76"],["5KBW_A_RBFA201_1","RIBOFLAVIN TRANSPORTER RIBU","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"GLU E1164;LEU E1158;LEU E 957;ALA E1075;ASN E1076","None","1.13A","5kbwA-4gnkE:1.9","5kbwA-4gnkE:16.86"],["5LJB_A_RTLA201_0","RETINOL-BINDING PROTEIN 1","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"LEU B 355;SER B 132;PHE B 136;TYR B  77;LEU B  80","None","1.13A","5ljbA-4gnkB:undetectable","5ljbA-4gnkB:8.04"],["5LJC_A_RTLA201_0","RETINOL-BINDING PROTEIN 1","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"LEU B 355;SER B 132;PHE B 136;TYR B  77;LEU B  80","None","1.14A","5ljcA-4gnkB:undetectable","5ljcA-4gnkB:7.95"],["5LJE_A_RTLA201_0","RETINOL-BINDING PROTEIN 1","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"LEU B 355;SER B 132;PHE B 136;TYR B  77;LEU B  80","None","1.13A","5ljeA-4gnkB:undetectable","5ljeA-4gnkB:7.69"],["5U4S_B_BEZB301_0","PUTATIVE SHORT CHAIN DEHYDROGENASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"ILE B 250;LEU B 246;MET B 291;LEU B 241","None","0.83A","5u4sB-4gnkB:undetectable","5u4sB-4gnkB:12.24"],["5UMW_F_RBFF201_1","GLYOXALASE\/BLEOMYCIN RESISANCE PROTEIN\/DIOXYGENASE;GLYOXALASE\/BLEOMYCIN RESISANCE PROTEIN\/DIOXYGENASE","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"LEU B 210;TYR B 279;GLU B 303;SER B 148","None","1.24A","5umwA-4gnkB:undetectable;5umwF-4gnkB:undetectable","5umwA-4gnkB:5.30;5umwF-4gnkB:5.30"],["6CB4_A_BEZA501_0","CANAVALIN","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"ASN B 830;LEU B 811;ILE B 810;ARG B 826","None","0.91A","6cb4A-4gnkB:undetectable","6cb4A-4gnkB:16.48"],["6DJZ_A_GMJA301_0","SIGMA NON-OPIOID INTRACELLULAR RECEPTOR 1","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",5,"VAL B 823;THR B 842;VAL B 730;LEU B 791;ALA B 792","None","1.23A","6djzA-4gnkB:undetectable","6djzA-4gnkB:10.26"],["6H7L_A_Y00A406_1","BETA-1 ADRENERGIC RECEPTOR","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"GLY B 301;LEU B 300;PHE B 737;PHE B 179","None","0.72A","6h7lA-4gnkB:undetectable","6h7lA-4gnkB:4.62"],["6H7L_B_Y00B405_1","BETA-1 ADRENERGIC RECEPTOR","4gnk","1-PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE PHOSPHODIESTERASE BETA-3","Homo sapiens",4,"GLY B 301;LEU B 300;PHE B 737;PHE B 179","None","0.72A","6h7lB-4gnkB:undetectable","6h7lB-4gnkB:4.62"]]