SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kci'

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)

Filter list by:

	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.	1EIZ_A_SAMA301_0 (FTSJ)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A3956 GLY A3966 GLY A3967 LEU A3990 LEU A4298	None	1.00A	1eizA-3kciA: undetectable	1eizA-3kciA: 17.44
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.	1EJ0_A_SAMA301_0 (FTSJ)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A3956 GLY A3966 GLY A3967 LEU A3990 LEU A4298	None	1.01A	1ej0A-3kciA: undetectable	1ej0A-3kciA: 17.44
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.	1HXB_A_ROCA100_1 (HIV-1 PROTEASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 ILE A3991 GLY A3992 GLY A3993	None	0.64A	1hxbA-3kciA: undetectable	1hxbA-3kciA: 13.25
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.	1J96_A_TESA903_1 (3ALPHA-HYDROXYSTEROI D DEHYDROGENASE TYPE 3)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 6	VAL A4037 ILE A4039 TRP A4063 LEU A4071	None	1.13A	1j96A-3kciA: undetectable	1j96A-3kciA: 20.77
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.	1K6C_B_MK1B902_1 (POL POLYPROTEIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 10	ALA A4098 VAL A4042 ILE A3991 GLY A3992 GLY A3993	None	0.92A	1k6cA-3kciA: undetectable	1k6cA-3kciA: 12.05
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.	1T3R_A_017A1200_1 (PROTEASE RETROPEPSIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 10	LEU A4071 GLY A4099 ALA A4098 ILE A3991 GLY A3993	None	0.99A	1t3rA-3kciA: undetectable	1t3rA-3kciA: 12.76
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.	1T7I_A_017A200_1 (POL POLYPROTEIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 10	LEU A4071 GLY A4099 ALA A4098 ILE A3991 GLY A3993	None	0.99A	1t7iA-3kciA: undetectable	1t7iA-3kciA: 12.05
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.	1WG8_A_SAMA3142_0 (PREDICTED S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	PRO A4028 THR A3996 GLY A3963 GLY A3966 SER A4024	None	0.99A	1wg8A-3kciA: undetectable	1wg8A-3kciA: 22.66
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.	1WG8_B_SAMB3141_0 (PREDICTED S-ADENOSYLMETHIONINE -DEPENDENT METHYLTRANSFERASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	PRO A4028 THR A3996 GLY A3963 GLY A3966 SER A4024	None	0.85A	1wg8B-3kciA: undetectable	1wg8B-3kciA: 22.66
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.	1Y4L_B_SVRB301_2 (PHOSPHOLIPASE A2 HOMOLOG 2)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	LEU A4140 LEU A4112 VAL A4187 GLY A4121 ARG A4122	None	1.34A	1y4lB-3kciA: undetectable	1y4lB-3kciA: 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.	2AVS_B_MK1B902_1 (POL POLYPROTEIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 ILE A3991 GLY A3992 GLY A3993	None	0.77A	2avsA-3kciA: undetectable	2avsA-3kciA: 12.79
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.	2AVV_E_MK1E902_1 (POL POLYPROTEIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 ILE A3991 GLY A3992 GLY A3993	None	0.68A	2avvD-3kciA: undetectable	2avvD-3kciA: 13.11
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.	2IT4_A_PPFA500_1 (CARBONIC ANHYDRASE 1)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 8	HIS A4260 ALA A4255 VAL A4262 LEU A4314 HIS A4312	None	1.44A	2it4A-3kciA: undetectable	2it4A-3kciA: 22.40
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.	2M2O_B_DHIB24_0 (INSULIN B CHAIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 6	GLY A4116 PRO A4134 LYS A4135 THR A4114	None	1.16A	2m2oB-3kciA: undetectable	2m2oB-3kciA: 6.42
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.	2Q5K_A_AB1A201_2 (PROTEASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 VAL A4042 ILE A3991 GLY A3993	None	0.82A	2q5kB-3kciA: undetectable	2q5kB-3kciA: 12.47
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.	2R5P_B_MK1B902_2 (PROTEASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 VAL A4042 ILE A3991 GLY A3993	None	0.88A	2r5pB-3kciA: undetectable	2r5pB-3kciA: 14.58
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.	3CYX_A_ROCA201_3 (HIV-1 PROTEASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 ILE A3991 GLY A3992 GLY A3993	None	0.73A	3cyxB-3kciA: undetectable	3cyxB-3kciA: 12.79
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.	3ELU_A_SAMA4633_0 (METHYLTRANSFERASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4020 GLY A4010 GLY A4015 THR A3996 LEU A3997	None	1.05A	3eluA-3kciA: undetectable	3eluA-3kciA: undetectable
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.	3EMB_A_SAMA4633_0 (METHYLTRANSFERASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4020 GLY A4010 GLY A4015 THR A3996 LEU A3997	None	1.01A	3embA-3kciA: undetectable	3embA-3kciA: undetectable
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.	3N66_B_MTLB870_0 (NITRIC OXIDE SYNTHASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 8	SER A4182 ARG A4238 GLN A4156 ASP A4171	None	1.20A	3n66B-3kciA: undetectable	3n66B-3kciA: 21.72
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.	3OU6_C_SAMC300_0 (SAM-DEPENDENT METHYLTRANSFERASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	LEU A4132 GLU A4065 ALA A4066 GLY A4069 LEU A4071	None	1.30A	3ou6C-3kciA: undetectable	3ou6C-3kciA: 19.10
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.	3OU6_D_SAMD300_0 (SAM-DEPENDENT METHYLTRANSFERASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	LEU A4132 GLU A4065 ALA A4066 GLY A4069 LEU A4071	None	1.34A	3ou6D-3kciA: undetectable	3ou6D-3kciA: 19.10
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.	3OU7_B_SAMB300_1 (SAM-DEPENDENT METHYLTRANSFERASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	3 / 3	TYR A4174 ASP A4171 ASP A4183	None	0.75A	3ou7B-3kciA: undetectable	3ou7B-3kciA: 19.10
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.	3RAE_F_LFXF101_1 (DNA TOPOISOMERASE 4 SUBUNIT A DNA TOPOISOMERASE 4 SUBUNIT B)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	3 / 4	SER A4087 GLY A4116 GLU A4067	None	0.59A	3raeA-3kciA: undetectable 3raeC-3kciA: undetectable	3raeA-3kciA: 21.06 3raeC-3kciA: 23.94
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.	4O33_A_TZNA501_1 (PHOSPHOGLYCERATE KINASE 1)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4012 ALA A4013 GLY A4015 GLY A4014 GLY A4021	None	0.86A	4o33A-3kciA: undetectable	4o33A-3kciA: 23.57
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.	4O3F_A_TZNA501_1 (PHOSPHOGLYCERATE KINASE 1)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4012 ALA A4013 GLY A4015 GLY A4014 GLY A4021	None	0.78A	4o3fA-3kciA: undetectable	4o3fA-3kciA: 23.35
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.	4OT2_A_ACTA605_0 (SERUM ALBUMIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	3 / 3	LYS A4201 LYS A4041 ALA A4097	None	1.35A	4ot2A-3kciA: undetectable	4ot2A-3kciA: 21.37
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.	4QVQ_K_BO2K301_1 (PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 9	ALA A4307 ALA A4255 ILE A3954 GLY A3956 ALA A4315	None	1.15A	4qvqK-3kciA: undetectable 4qvqL-3kciA: undetectable	4qvqK-3kciA: 22.49 4qvqL-3kciA: 19.70
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.	4QVQ_Y_BO2Y301_1 (PROTEASOME SUBUNIT BETA TYPE-5 PROTEASOME SUBUNIT BETA TYPE-6)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 9	ALA A4307 ALA A4255 ILE A3954 GLY A3956 ALA A4315	None	1.15A	4qvqY-3kciA: undetectable 4qvqZ-3kciA: undetectable	4qvqY-3kciA: 22.49 4qvqZ-3kciA: 19.70
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.	4WG0_B_CHDB102_0 (NUCLEAR RECEPTOR COACTIVATOR 2)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	ASN A3960 LEU A3997 LEU A4314 ALA A3981 LEU A3982	None	1.10A	4wg0B-3kciA: undetectable 4wg0C-3kciA: undetectable 4wg0D-3kciA: undetectable	4wg0B-3kciA: 3.86 4wg0C-3kciA: 3.86 4wg0D-3kciA: 3.86
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.	4WG0_D_CHDD102_0 (NUCLEAR RECEPTOR COACTIVATOR 2)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	ASN A3960 LEU A3997 LEU A4314 ALA A3981 LEU A3982	None	1.10A	4wg0D-3kciA: undetectable 4wg0E-3kciA: undetectable 4wg0F-3kciA: undetectable	4wg0D-3kciA: 3.86 4wg0E-3kciA: 3.86 4wg0F-3kciA: 3.86
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.	4WG0_F_CHDF103_0 (NUCLEAR RECEPTOR COACTIVATOR 2)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	ASN A3960 LEU A3997 LEU A4314 ALA A3981 LEU A3982	None	1.13A	4wg0F-3kciA: undetectable 4wg0G-3kciA: undetectable 4wg0H-3kciA: undetectable	4wg0F-3kciA: 3.86 4wg0G-3kciA: 3.86 4wg0H-3kciA: 3.86
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.	4WG0_H_CHDH103_0 (NUCLEAR RECEPTOR COACTIVATOR 2)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	ASN A3960 LEU A3997 LEU A4314 ALA A3981 LEU A3982	None	1.15A	4wg0H-3kciA: undetectable 4wg0I-3kciA: undetectable 4wg0J-3kciA: undetectable	4wg0H-3kciA: 3.86 4wg0I-3kciA: 3.86 4wg0J-3kciA: 3.86
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.	4WG0_I_CHDI103_0 (NUCLEAR RECEPTOR COACTIVATOR 2)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	ALA A3981 LEU A3982 LEU A4314 ASN A3960 LEU A3997	None	1.11A	4wg0G-3kciA: undetectable 4wg0H-3kciA: undetectable 4wg0I-3kciA: undetectable	4wg0G-3kciA: 3.86 4wg0H-3kciA: 3.86 4wg0I-3kciA: 3.86
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.	4WG0_J_CHDJ103_0 (NUCLEAR RECEPTOR COACTIVATOR 2)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	ASN A3960 LEU A3997 LEU A4314 ALA A3981 LEU A3982	None	1.14A	4wg0J-3kciA: undetectable 4wg0K-3kciA: undetectable 4wg0L-3kciA: undetectable	4wg0J-3kciA: 3.86 4wg0K-3kciA: 3.86 4wg0L-3kciA: 3.86
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.	4WG0_K_CHDK103_0 (NUCLEAR RECEPTOR COACTIVATOR 2)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	ALA A3981 LEU A3982 LEU A4314 ASN A3960 LEU A3997	None	1.13A	4wg0I-3kciA: undetectable 4wg0J-3kciA: undetectable 4wg0K-3kciA: undetectable	4wg0I-3kciA: 3.86 4wg0J-3kciA: 3.86 4wg0K-3kciA: 3.86
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.	4ZJO_D_ERYD1101_0 (MULTIDRUG EFFLUX PUMP SUBUNIT ACRB)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 11	SER A4310 ALA A4098 GLU A3994 THR A4009 GLY A4010	None	1.42A	4zjoD-3kciA: undetectable	4zjoD-3kciA: 17.95
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.	5ENT_C_MIYC901_1 (MULTIDRUG EFFLUX PUMP SUBUNIT ACRB,MULTIDRUG EFFLUX PUMP SUBUNIT ACRB)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 9	GLY A4309 SER A4310 GLU A3994 ILE A3991 ALA A4307	None	1.35A	5entC-3kciA: undetectable	5entC-3kciA: 22.35
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.	5VUN_A_MTLA805_0 (NITRIC OXIDE SYNTHASE, BRAIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 8	SER A4182 ARG A4238 GLN A4156 ASP A4171	None	1.19A	5vunA-3kciA: undetectable	5vunA-3kciA: 21.38
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.	5VUN_A_MTLA805_0 (NITRIC OXIDE SYNTHASE, BRAIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 8	SER A4182 ARG A4238 GLN A4207 ASP A4171	None	1.24A	5vunA-3kciA: undetectable	5vunA-3kciA: 21.38
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.	5VUN_B_MTLB805_0 (NITRIC OXIDE SYNTHASE, BRAIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 8	SER A4182 ARG A4238 GLN A4156 ASP A4171	None	1.17A	5vunB-3kciA: undetectable	5vunB-3kciA: 21.38
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.	5VUN_B_MTLB805_0 (NITRIC OXIDE SYNTHASE, BRAIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 8	SER A4182 ARG A4238 GLN A4207 ASP A4171	None	1.29A	5vunB-3kciA: undetectable	5vunB-3kciA: 21.38
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.	5VUO_B_MTLB805_0 (NITRIC OXIDE SYNTHASE, BRAIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 8	SER A4182 ARG A4238 GLN A4207 ASP A4171	None	1.28A	5vuoB-3kciA: undetectable	5vuoB-3kciA: 21.38
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.	5X7F_A_SAMA301_0 (PUTATIVE O-METHYLTRANSFERASE RV1220C)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4100 GLY A4048 ALA A4155 ALA A4101 ASP A4068	None	1.19A	5x7fA-3kciA: undetectable	5x7fA-3kciA: 24.74
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.	6AUU_B_MTLB805_0 (NITRIC OXIDE SYNTHASE, BRAIN)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	4 / 8	SER A4182 ARG A4238 GLN A4207 ASP A4171	None	1.26A	6auuB-3kciA: undetectable	6auuB-3kciA: 21.38
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.	6DH0_A_017A101_0 (PROTEASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 VAL A4042 ILE A3991 GLY A3993	None	0.94A	6dh0A-3kciA: undetectable	6dh0A-3kciA: 12.07
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.	6DJ1_B_AB1B201_1 (HIV-1 PROTEASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 VAL A4042 ILE A3991 GLY A3993	None	0.83A	6dj1B-3kciA: undetectable	6dj1B-3kciA: 12.34
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.	6DJ2_B_AB1B201_1 (HIV-1 PROTEASE)	3kci	PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2 (Homo sapiens)	5 / 12	GLY A4099 ALA A4098 VAL A4042 ILE A3991 GLY A3993	None	0.82A	6dj2B-3kciA: undetectable	6dj2B-3kciA: 12.07

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1EIZ_A_SAMA301_0","FTSJ","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A3956;GLY A3966;GLY A3967;LEU A3990;LEU A4298","None","1.00A","1eizA-3kciA:undetectable","1eizA-3kciA:17.44"],["1EJ0_A_SAMA301_0","FTSJ","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A3956;GLY A3966;GLY A3967;LEU A3990;LEU A4298","None","1.01A","1ej0A-3kciA:undetectable","1ej0A-3kciA:17.44"],["1HXB_A_ROCA100_1","HIV-1 PROTEASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;ILE A3991;GLY A3992;GLY A3993","None","0.64A","1hxbA-3kciA:undetectable","1hxbA-3kciA:13.25"],["1J96_A_TESA903_1","3ALPHA-HYDROXYSTEROID DEHYDROGENASE TYPE 3","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"VAL A4037;ILE A4039;TRP A4063;LEU A4071","None","1.13A","1j96A-3kciA:undetectable","1j96A-3kciA:20.77"],["1K6C_B_MK1B902_1","POL POLYPROTEIN;POL POLYPROTEIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ALA A4098;VAL A4042;ILE A3991;GLY A3992;GLY A3993","None","0.92A","1k6cA-3kciA:undetectable","1k6cA-3kciA:12.05"],["1T3R_A_017A1200_1","PROTEASE RETROPEPSIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"LEU A4071;GLY A4099;ALA A4098;ILE A3991;GLY A3993","None","0.99A","1t3rA-3kciA:undetectable","1t3rA-3kciA:12.76"],["1T7I_A_017A200_1","POL POLYPROTEIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"LEU A4071;GLY A4099;ALA A4098;ILE A3991;GLY A3993","None","0.99A","1t7iA-3kciA:undetectable","1t7iA-3kciA:12.05"],["1WG8_A_SAMA3142_0","PREDICTED S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"PRO A4028;THR A3996;GLY A3963;GLY A3966;SER A4024","None","0.99A","1wg8A-3kciA:undetectable","1wg8A-3kciA:22.66"],["1WG8_B_SAMB3141_0","PREDICTED S-ADENOSYLMETHIONINE-DEPENDENT METHYLTRANSFERASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"PRO A4028;THR A3996;GLY A3963;GLY A3966;SER A4024","None","0.85A","1wg8B-3kciA:undetectable","1wg8B-3kciA:22.66"],["1Y4L_B_SVRB301_2","PHOSPHOLIPASE A2 HOMOLOG 2","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"LEU A4140;LEU A4112;VAL A4187;GLY A4121;ARG A4122","None","1.34A","1y4lB-3kciA:undetectable","1y4lB-3kciA:15.14"],["2AVS_B_MK1B902_1","POL POLYPROTEIN;POL POLYPROTEIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;ILE A3991;GLY A3992;GLY A3993","None","0.77A","2avsA-3kciA:undetectable","2avsA-3kciA:12.79"],["2AVV_E_MK1E902_1","POL POLYPROTEIN;POL POLYPROTEIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;ILE A3991;GLY A3992;GLY A3993","None","0.68A","2avvD-3kciA:undetectable","2avvD-3kciA:13.11"],["2IT4_A_PPFA500_1","CARBONIC ANHYDRASE 1","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"HIS A4260;ALA A4255;VAL A4262;LEU A4314;HIS A4312","None","1.44A","2it4A-3kciA:undetectable","2it4A-3kciA:22.40"],["2M2O_B_DHIB24_0","INSULIN B CHAIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"GLY A4116;PRO A4134;LYS A4135;THR A4114","None","1.16A","2m2oB-3kciA:undetectable","2m2oB-3kciA:6.42"],["2Q5K_A_AB1A201_2","PROTEASE;PROTEASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;VAL A4042;ILE A3991;GLY A3993","None","0.82A","2q5kB-3kciA:undetectable","2q5kB-3kciA:12.47"],["2R5P_B_MK1B902_2","PROTEASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;VAL A4042;ILE A3991;GLY A3993","None","0.88A","2r5pB-3kciA:undetectable","2r5pB-3kciA:14.58"],["3CYX_A_ROCA201_3","HIV-1 PROTEASE;HIV-1 PROTEASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;ILE A3991;GLY A3992;GLY A3993","None","0.73A","3cyxB-3kciA:undetectable","3cyxB-3kciA:12.79"],["3ELU_A_SAMA4633_0","METHYLTRANSFERASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4020;GLY A4010;GLY A4015;THR A3996;LEU A3997","None","1.05A","3eluA-3kciA:undetectable","3eluA-3kciA:undetectable"],["3EMB_A_SAMA4633_0","METHYLTRANSFERASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4020;GLY A4010;GLY A4015;THR A3996;LEU A3997","None","1.01A","3embA-3kciA:undetectable","3embA-3kciA:undetectable"],["3N66_B_MTLB870_0","NITRIC OXIDE SYNTHASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"SER A4182;ARG A4238;GLN A4156;ASP A4171","None","1.20A","3n66B-3kciA:undetectable","3n66B-3kciA:21.72"],["3OU6_C_SAMC300_0","SAM-DEPENDENT METHYLTRANSFERASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"LEU A4132;GLU A4065;ALA A4066;GLY A4069;LEU A4071","None","1.30A","3ou6C-3kciA:undetectable","3ou6C-3kciA:19.10"],["3OU6_D_SAMD300_0","SAM-DEPENDENT METHYLTRANSFERASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"LEU A4132;GLU A4065;ALA A4066;GLY A4069;LEU A4071","None","1.34A","3ou6D-3kciA:undetectable","3ou6D-3kciA:19.10"],["3OU7_B_SAMB300_1","SAM-DEPENDENT METHYLTRANSFERASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",3,"TYR A4174;ASP A4171;ASP A4183","None","0.75A","3ou7B-3kciA:undetectable","3ou7B-3kciA:19.10"],["3RAE_F_LFXF101_1","DNA TOPOISOMERASE 4 SUBUNIT A;DNA TOPOISOMERASE 4 SUBUNIT B","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",3,"SER A4087;GLY A4116;GLU A4067","None","0.59A","3raeA-3kciA:undetectable;3raeC-3kciA:undetectable","3raeA-3kciA:21.06;3raeC-3kciA:23.94"],["4O33_A_TZNA501_1","PHOSPHOGLYCERATE KINASE 1","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4012;ALA A4013;GLY A4015;GLY A4014;GLY A4021","None","0.86A","4o33A-3kciA:undetectable","4o33A-3kciA:23.57"],["4O3F_A_TZNA501_1","PHOSPHOGLYCERATE KINASE 1","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4012;ALA A4013;GLY A4015;GLY A4014;GLY A4021","None","0.78A","4o3fA-3kciA:undetectable","4o3fA-3kciA:23.35"],["4OT2_A_ACTA605_0","SERUM ALBUMIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",3,"LYS A4201;LYS A4041;ALA A4097","None","1.35A","4ot2A-3kciA:undetectable","4ot2A-3kciA:21.37"],["4QVQ_K_BO2K301_1","PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ALA A4307;ALA A4255;ILE A3954;GLY A3956;ALA A4315","None","1.15A","4qvqK-3kciA:undetectable;4qvqL-3kciA:undetectable","4qvqK-3kciA:22.49;4qvqL-3kciA:19.70"],["4QVQ_Y_BO2Y301_1","PROTEASOME SUBUNIT BETA TYPE-5;PROTEASOME SUBUNIT BETA TYPE-6","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ALA A4307;ALA A4255;ILE A3954;GLY A3956;ALA A4315","None","1.15A","4qvqY-3kciA:undetectable;4qvqZ-3kciA:undetectable","4qvqY-3kciA:22.49;4qvqZ-3kciA:19.70"],["4WG0_B_CHDB102_0","NUCLEAR RECEPTOR COACTIVATOR 2","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ASN A3960;LEU A3997;LEU A4314;ALA A3981;LEU A3982","None","1.10A","4wg0B-3kciA:undetectable;4wg0C-3kciA:undetectable;4wg0D-3kciA:undetectable","4wg0B-3kciA:3.86;4wg0C-3kciA:3.86;4wg0D-3kciA:3.86"],["4WG0_D_CHDD102_0","NUCLEAR RECEPTOR COACTIVATOR 2","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ASN A3960;LEU A3997;LEU A4314;ALA A3981;LEU A3982","None","1.10A","4wg0D-3kciA:undetectable;4wg0E-3kciA:undetectable;4wg0F-3kciA:undetectable","4wg0D-3kciA:3.86;4wg0E-3kciA:3.86;4wg0F-3kciA:3.86"],["4WG0_F_CHDF103_0","NUCLEAR RECEPTOR COACTIVATOR 2","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ASN A3960;LEU A3997;LEU A4314;ALA A3981;LEU A3982","None","1.13A","4wg0F-3kciA:undetectable;4wg0G-3kciA:undetectable;4wg0H-3kciA:undetectable","4wg0F-3kciA:3.86;4wg0G-3kciA:3.86;4wg0H-3kciA:3.86"],["4WG0_H_CHDH103_0","NUCLEAR RECEPTOR COACTIVATOR 2","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ASN A3960;LEU A3997;LEU A4314;ALA A3981;LEU A3982","None","1.15A","4wg0H-3kciA:undetectable;4wg0I-3kciA:undetectable;4wg0J-3kciA:undetectable","4wg0H-3kciA:3.86;4wg0I-3kciA:3.86;4wg0J-3kciA:3.86"],["4WG0_I_CHDI103_0","NUCLEAR RECEPTOR COACTIVATOR 2","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ALA A3981;LEU A3982;LEU A4314;ASN A3960;LEU A3997","None","1.11A","4wg0G-3kciA:undetectable;4wg0H-3kciA:undetectable;4wg0I-3kciA:undetectable","4wg0G-3kciA:3.86;4wg0H-3kciA:3.86;4wg0I-3kciA:3.86"],["4WG0_J_CHDJ103_0","NUCLEAR RECEPTOR COACTIVATOR 2","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ASN A3960;LEU A3997;LEU A4314;ALA A3981;LEU A3982","None","1.14A","4wg0J-3kciA:undetectable;4wg0K-3kciA:undetectable;4wg0L-3kciA:undetectable","4wg0J-3kciA:3.86;4wg0K-3kciA:3.86;4wg0L-3kciA:3.86"],["4WG0_K_CHDK103_0","NUCLEAR RECEPTOR COACTIVATOR 2","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"ALA A3981;LEU A3982;LEU A4314;ASN A3960;LEU A3997","None","1.13A","4wg0I-3kciA:undetectable;4wg0J-3kciA:undetectable;4wg0K-3kciA:undetectable","4wg0I-3kciA:3.86;4wg0J-3kciA:3.86;4wg0K-3kciA:3.86"],["4ZJO_D_ERYD1101_0","MULTIDRUG EFFLUX PUMP SUBUNIT ACRB","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"SER A4310;ALA A4098;GLU A3994;THR A4009;GLY A4010","None","1.42A","4zjoD-3kciA:undetectable","4zjoD-3kciA:17.95"],["5ENT_C_MIYC901_1","MULTIDRUG EFFLUX PUMP SUBUNIT ACRB,MULTIDRUG EFFLUX PUMP SUBUNIT ACRB","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4309;SER A4310;GLU A3994;ILE A3991;ALA A4307","None","1.35A","5entC-3kciA:undetectable","5entC-3kciA:22.35"],["5VUN_A_MTLA805_0","NITRIC OXIDE SYNTHASE, BRAIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"SER A4182;ARG A4238;GLN A4156;ASP A4171","None","1.19A","5vunA-3kciA:undetectable","5vunA-3kciA:21.38"],["5VUN_A_MTLA805_0","NITRIC OXIDE SYNTHASE, BRAIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"SER A4182;ARG A4238;GLN A4207;ASP A4171","None","1.24A","5vunA-3kciA:undetectable","5vunA-3kciA:21.38"],["5VUN_B_MTLB805_0","NITRIC OXIDE SYNTHASE, BRAIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"SER A4182;ARG A4238;GLN A4156;ASP A4171","None","1.17A","5vunB-3kciA:undetectable","5vunB-3kciA:21.38"],["5VUN_B_MTLB805_0","NITRIC OXIDE SYNTHASE, BRAIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"SER A4182;ARG A4238;GLN A4207;ASP A4171","None","1.29A","5vunB-3kciA:undetectable","5vunB-3kciA:21.38"],["5VUO_B_MTLB805_0","NITRIC OXIDE SYNTHASE, BRAIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"SER A4182;ARG A4238;GLN A4207;ASP A4171","None","1.28A","5vuoB-3kciA:undetectable","5vuoB-3kciA:21.38"],["5X7F_A_SAMA301_0","PUTATIVE O-METHYLTRANSFERASE RV1220C","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4100;GLY A4048;ALA A4155;ALA A4101;ASP A4068","None","1.19A","5x7fA-3kciA:undetectable","5x7fA-3kciA:24.74"],["6AUU_B_MTLB805_0","NITRIC OXIDE SYNTHASE, BRAIN","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",4,"SER A4182;ARG A4238;GLN A4207;ASP A4171","None","1.26A","6auuB-3kciA:undetectable","6auuB-3kciA:21.38"],["6DH0_A_017A101_0","PROTEASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;VAL A4042;ILE A3991;GLY A3993","None","0.94A","6dh0A-3kciA:undetectable","6dh0A-3kciA:12.07"],["6DJ1_B_AB1B201_1","HIV-1 PROTEASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;VAL A4042;ILE A3991;GLY A3993","None","0.83A","6dj1B-3kciA:undetectable","6dj1B-3kciA:12.34"],["6DJ2_B_AB1B201_1","HIV-1 PROTEASE","3kci","PROBABLE E3 UBIQUITIN-PROTEIN LIGASE HERC2","Homo sapiens",5,"GLY A4099;ALA A4098;VAL A4042;ILE A3991;GLY A3993","None","0.82A","6dj2B-3kciA:undetectable","6dj2B-3kciA:12.07"]]