SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IHP'

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.	1I2W_A_CFXA1300_2 (BETA-LACTAMASE)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	4 / 5	TYR A 216 PRO A 21 LEU A 22 THR A 312	None None IHP A 550 (-3.7A) None	1.31A	1i2wA-3ntlA: undetectable	1i2wA-3ntlA: 21.30
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.	1YKI_A_NFZA1219_1 (OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE)	1dkp	PHYTASE (Escherichia coli)	4 / 8	TYR A 255 PHE A 254 THR A 156 PHE A 155	None IHP A 550 (-4.4A) None None	0.98A	1ykiA-1dkpA: 0.0 1ykiB-1dkpA: 0.0	1ykiA-1dkpA: 20.74 1ykiB-1dkpA: 20.74
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.	1YKI_B_NFZB2219_1 (OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE)	1dkp	PHYTASE (Escherichia coli)	4 / 8	THR A 156 PHE A 155 TYR A 255 PHE A 254	None None None IHP A 550 (-4.4A)	0.98A	1ykiA-1dkpA: 0.0 1ykiB-1dkpA: 0.0	1ykiA-1dkpA: 20.74 1ykiB-1dkpA: 20.74
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.	1YKI_C_NFZC3219_1 (OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE)	1dkp	PHYTASE (Escherichia coli)	4 / 8	TYR A 255 PHE A 254 THR A 156 PHE A 155	None IHP A 550 (-4.4A) None None	0.97A	1ykiC-1dkpA: 0.0 1ykiD-1dkpA: 0.0	1ykiC-1dkpA: 20.74 1ykiD-1dkpA: 20.74
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.	1YKI_D_NFZD4219_1 (OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE)	1dkp	PHYTASE (Escherichia coli)	4 / 8	THR A 156 PHE A 155 TYR A 255 PHE A 254	None None None IHP A 550 (-4.4A)	0.98A	1ykiC-1dkpA: 0.0 1ykiD-1dkpA: 0.0	1ykiC-1dkpA: 20.74 1ykiD-1dkpA: 20.74
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.	2CEO_B_T44B1395_1 (THYROXINE-BINDING GLOBULIN)	1dkp	PHYTASE (Escherichia coli)	5 / 10	ALA A 313 LEU A 124 LEU A 310 ASN A 306 ARG A 267	None None None None IHP A 550 (-3.9A)	1.39A	2ceoB-1dkpA: 0.0	2ceoB-1dkpA: 21.65
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.	2DM6_A_IMNA1401_1 (NADP-DEPENDENT LEUKOTRIENE B4 12-HYDROXYDEHYDROGEN ASE)	5ed1	DOUBLE-STRANDED RNA-SPECIFIC EDITASE 1 (Homo sapiens)	5 / 10	TYR A 668 ALA A 671 ILE A 528 ILE A 540 TYR A 541	IHP A 801 (-4.8A) None None None None	1.30A	2dm6A-5ed1A: undetectable 2dm6B-5ed1A: undetectable	2dm6A-5ed1A: 23.08 2dm6B-5ed1A: 23.08
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.	2KCE_A_D16A566_1 (THYMIDYLATE SYNTHASE)	3fzy	RTX TOXIN RTXA (Vibrio cholerae)	5 / 12	SER A3487 GLU A3485 ASP A3452 GLY A3453 LYS A3611	None None None None IHP A8000 (-2.9A)	1.20A	2kceA-3fzyA: undetectable	2kceA-3fzyA: 22.11
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.	2QEB_A_HSMA145_1 (D7R4 PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	4 / 7	ILE A 291 ARG A 15 TYR A 303 GLU A 310	None IHP A 550 (-3.9A) None None	1.01A	2qebA-3ntlA: undetectable	2qebA-3ntlA: 15.50
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.	2QEB_B_HSMB145_1 (D7R4 PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	4 / 7	ILE A 291 ARG A 15 TYR A 303 GLU A 310	None IHP A 550 (-3.9A) None None	1.03A	2qebB-3ntlA: undetectable	2qebB-3ntlA: 15.50
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.	2XCT_H_CPFH1020_1 (DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A)	2p1n	TRANSPORT INHIBITOR RESPONSE 1 PROTEIN (Arabidopsis thaliana)	3 / 3	ARG B 344 GLU B 342 SER B 215	IHP B 601 (-3.1A) None None	0.92A	2xctD-2p1nB: undetectable	2xctD-2p1nB: 22.94
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.	2ZW9_B_SAMB801_1 (LEUCINE CARBOXYL METHYLTRANSFERASE 2)	3fzy	RTX TOXIN RTXA (Vibrio cholerae)	4 / 8	ILE A3584 LYS A3511 ARG A3457 SER A3632	UNX A 327 (-4.3A) CL A 1 ( 4.2A) IHP A8000 ( 4.0A) None	1.05A	2zw9B-3fzyA: undetectable	2zw9B-3fzyA: 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.	2ZW9_B_SAMB801_1 (LEUCINE CARBOXYL METHYLTRANSFERASE 2)	3gcd	RTX TOXIN RTXA (Vibrio cholerae)	4 / 8	ILE A 156 LYS A 83 ARG A 29 SER A 204	None None IHP A 214 (-4.0A) None	0.99A	2zw9B-3gcdA: undetectable	2zw9B-3gcdA: 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.	3IA4_A_MTXA164_1 (DIHYDROFOLATE REDUCTASE)	3gcd	RTX TOXIN RTXA (Vibrio cholerae)	5 / 12	ALA A 47 LEU A 175 SER A 136 ILE A 137 LEU A 142	AZ0 A 213 (-3.8A) AZ0 A 213 (-3.4A) IHP A 214 (-2.9A) None None	1.18A	3ia4A-3gcdA: undetectable	3ia4A-3gcdA: 17.94
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.	3IA4_B_MTXB164_1 (DIHYDROFOLATE REDUCTASE)	3gcd	RTX TOXIN RTXA (Vibrio cholerae)	5 / 12	ALA A 47 LEU A 175 SER A 136 ILE A 137 LEU A 142	AZ0 A 213 (-3.8A) AZ0 A 213 (-3.4A) IHP A 214 (-2.9A) None None	1.18A	3ia4B-3gcdA: undetectable	3ia4B-3gcdA: 17.94
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.	3IA4_C_MTXC164_1 (DIHYDROFOLATE REDUCTASE)	3gcd	RTX TOXIN RTXA (Vibrio cholerae)	5 / 12	ALA A 47 LEU A 175 SER A 136 ILE A 137 LEU A 142	AZ0 A 213 (-3.8A) AZ0 A 213 (-3.4A) IHP A 214 (-2.9A) None None	1.19A	3ia4C-3gcdA: undetectable	3ia4C-3gcdA: 17.94
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.	3IA4_D_MTXD164_1 (DIHYDROFOLATE REDUCTASE)	3gcd	RTX TOXIN RTXA (Vibrio cholerae)	5 / 12	ALA A 47 LEU A 175 SER A 136 ILE A 137 LEU A 142	AZ0 A 213 (-3.8A) AZ0 A 213 (-3.4A) IHP A 214 (-2.9A) None None	1.19A	3ia4D-3gcdA: undetectable	3ia4D-3gcdA: 17.94
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.	3LS4_H_TCIH220_2 (HEAVY CHAIN OF ANTIBODY FAB FRAGMENT LIGHT CHAIN OF ANTIBODY FAB FRAGMENT)	1dkp	PHYTASE (Escherichia coli)	4 / 5	GLN A 258 ILE A 144 LEU A 257 PHE A 254	None None None IHP A 550 (-4.4A)	1.16A	3ls4L-1dkpA: undetectable	3ls4L-1dkpA: 18.07
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.	3OKX_A_SAMA201_0 (YAEB-LIKE PROTEIN RPA0152)	5hdt	SISTER CHROMATID COHESION PROTEIN PDS5 HOMOLOG B (Homo sapiens)	5 / 12	LEU A 836 ARG A 834 GLY A 847 THR A 848 SER A 849	None IHP A1201 (-3.7A) None None None	1.06A	3okxA-5hdtA: undetectable	3okxA-5hdtA: 9.57
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.	3OKX_B_SAMB201_1 (YAEB-LIKE PROTEIN RPA0152)	5hdt	SISTER CHROMATID COHESION PROTEIN PDS5 HOMOLOG B (Homo sapiens)	5 / 12	LEU A 836 ARG A 834 GLY A 847 THR A 848 SER A 849	None IHP A1201 (-3.7A) None None None	1.30A	3okxB-5hdtA: undetectable	3okxB-5hdtA: 9.57
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.	4K8C_A_ADNA401_2 (SUGAR KINASE)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	3 / 3	SER A 206 TYR A 245 PRO A 21	None IHP A 550 (-4.8A) None	0.96A	4k8cA-3ntlA: undetectable	4k8cA-3ntlA: 22.43
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.	4KAH_A_ADNA401_2 (PROBABLE SUGAR KINASE PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	3 / 3	SER A 206 TYR A 245 PRO A 21	None IHP A 550 (-4.8A) None	0.95A	4kahA-3ntlA: undetectable	4kahA-3ntlA: 22.43
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.	4KAH_B_ADNB502_2 (PROBABLE SUGAR KINASE PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	3 / 3	SER A 206 TYR A 245 PRO A 21	None IHP A 550 (-4.8A) None	0.96A	4kahB-3ntlA: undetectable	4kahB-3ntlA: 22.43
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.	4KAN_A_ADNA401_2 (PROBABLE SUGAR KINASE PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	3 / 3	SER A 206 TYR A 245 PRO A 21	None IHP A 550 (-4.8A) None	0.94A	4kanA-3ntlA: undetectable	4kanA-3ntlA: 22.43
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.	4KAN_B_ADNB401_2 (PROBABLE SUGAR KINASE PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	3 / 3	SER A 206 TYR A 245 PRO A 21	None IHP A 550 (-4.8A) None	0.96A	4kanB-3ntlA: undetectable	4kanB-3ntlA: 22.43
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.	4KBE_A_ADNA401_2 (PROBABLE SUGAR KINASE PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	3 / 3	SER A 206 TYR A 245 PRO A 21	None IHP A 550 (-4.8A) None	0.97A	4kbeA-3ntlA: undetectable	4kbeA-3ntlA: 22.43
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.	4KLR_A_CHDA504_0 (FERROCHELATASE, MITOCHONDRIAL)	5hdt	SISTER CHROMATID COHESION PROTEIN PDS5 HOMOLOG B (Homo sapiens)	4 / 7	LEU A 785 ARG A 834 SER A 754 VAL A 768	None IHP A1201 (-3.7A) None None	1.15A	4klrA-5hdtA: undetectable	4klrA-5hdtA: 17.04
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.	4KM2_B_TOPB202_1 (DIHYDROFOLATE REDUCTASE)	5ed1	DOUBLE-STRANDED RNA-SPECIFIC EDITASE 1 (Homo sapiens)	5 / 12	ASP A 392 VAL A 355 LEU A 444 ILE A 520 THR A 513	None None None None IHP A 801 (-4.1A)	1.10A	4km2B-5ed1A: undetectable	4km2B-5ed1A: 18.38
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.	4L1A_A_AB1A101_2 (MDR769 HIV-1 PROTEASE)	1dkp	PHYTASE (Escherichia coli)	4 / 6	ASN A 251 ASP A 304 GLY A 331 THR A 319	None IHP A 550 (-3.2A) None None	1.04A	4l1aB-1dkpA: undetectable	4l1aB-1dkpA: 13.76
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.	4LBG_A_ADNA401_2 (PROBABLE SUGAR KINASE PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	3 / 3	SER A 206 TYR A 245 PRO A 21	None IHP A 550 (-4.8A) None	0.96A	4lbgA-3ntlA: undetectable	4lbgA-3ntlA: 22.43
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.	4LBG_B_ADNB401_2 (PROBABLE SUGAR KINASE PROTEIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	3 / 3	SER A 206 TYR A 245 PRO A 21	None IHP A 550 (-4.8A) None	0.94A	4lbgB-3ntlA: undetectable	4lbgB-3ntlA: 22.43
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.	4MBS_A_MRVA1101_2 (CHIMERA PROTEIN OF C-C CHEMOKINE RECEPTOR TYPE 5 AND RUBREDOXIN)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	4 / 7	TYR A 245 LEU A 18 THR A 48 THR A 312	IHP A 550 (-4.8A) None None None	0.97A	4mbsA-3ntlA: undetectable	4mbsA-3ntlA: 21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.	4O4D_A_ACTA406_0 (INOSITOL HEXAKISPHOSPHATE KINASE)	4o4f	INOSITOL HEXAKISPHOSPHATE KINASE (Entamoeba histolytica)	7 / 7	TRP A 107 ASP A 108 THR A 111 ARG A 119 PHE A 206 SER A 207 HIS A 234	None None None IHP A 403 (-3.1A) None MG A 402 ( 4.5A) None	0.68A	4o4dA-4o4fA: 40.9	4o4dA-4o4fA: 100.00
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.	4O8J_A_ADNA401_1 (RNA 3'-TERMINAL PHOSPHATE CYCLASE)	3fzy	RTX TOXIN RTXA (Vibrio cholerae)	5 / 12	GLN A3461 ARG A3513 GLN A3515 ASP A3606 HIS A3483	None IHP A8000 (-2.6A) IHP A8000 ( 4.4A) None IHP A8000 (-3.8A)	1.19A	4o8jA-3fzyA: 0.0	4o8jA-3fzyA: 20.50
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.	4O8J_B_ADNB401_1 (RNA 3'-TERMINAL PHOSPHATE CYCLASE)	3fzy	RTX TOXIN RTXA (Vibrio cholerae)	5 / 12	GLN A3461 ARG A3513 GLN A3515 ASP A3606 HIS A3483	None IHP A8000 (-2.6A) IHP A8000 ( 4.4A) None IHP A8000 (-3.8A)	1.14A	4o8jB-3fzyA: 0.1	4o8jB-3fzyA: 20.50
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.	4OKX_A_198A1002_2 (ANDROGEN RECEPTOR)	3pa8	TOXIN B (Clostridioides difficile)	4 / 6	LEU A 152 ASN A 151 LEU A 41 ILE A 38	None IHP A 257 ( 4.0A) None None	1.13A	4okxA-3pa8A: undetectable	4okxA-3pa8A: 23.84
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.	4X1F_A_3WFA501_1 (NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2)	1dkp	PHYTASE (Escherichia coli)	5 / 12	ASP A 31 LEU A 28 LEU A 213 MET A 216 LEU A 170	None None None IHP A 550 (-3.9A) None	1.12A	4x1fA-1dkpA: 0.0	4x1fA-1dkpA: 22.12
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.	5CDP_H_EVPH2101_1 (DNA GYRASE SUBUNIT A DNA GYRASE SUBUNIT B)	4o4f	INOSITOL HEXAKISPHOSPHATE KINASE (Entamoeba histolytica)	4 / 6	SER A 136 GLY A 248 ASP A 247 GLY A 252	IHP A 403 ( 4.3A) PO4 A 406 (-3.7A) PO4 A 406 (-2.9A) None	0.77A	5cdpA-4o4fA: 1.8 5cdpB-4o4fA: undetectable	5cdpA-4o4fA: 20.20 5cdpB-4o4fA: 20.68
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.	5DQF_A_LCRA612_1 (SERUM ALBUMIN)	1dkp	PHYTASE (Escherichia coli)	5 / 9	LEU A 333 ASP A 304 LEU A 310 LEU A 271 ALA A 268	None IHP A 550 (-3.2A) None None None	1.11A	5dqfA-1dkpA: undetectable	5dqfA-1dkpA: 20.41
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.	5HI6_B_MTXB201_1 (DIHYDROFOLATE REDUCTASE)	3gcd	RTX TOXIN RTXA (Vibrio cholerae)	5 / 12	ALA A 47 LEU A 175 SER A 136 ILE A 137 LEU A 142	AZ0 A 213 (-3.8A) AZ0 A 213 (-3.4A) IHP A 214 (-2.9A) None None	1.14A	5hi6B-3gcdA: undetectable	5hi6B-3gcdA: 21.50
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.	5I3C_A_AC2A301_1 (PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE)	2fvv	DIPHOSPHOINOSITOL POLYPHOSPHATE PHOSPHOHYDROLASE 1 (Homo sapiens)	5 / 9	ARG A 115 SER A 39 ALA A 22 VAL A 48 GLU A 70	IHP A2360 ( 4.5A) IHP A2360 (-3.2A) None None None	1.16A	5i3cA-2fvvA: undetectable	5i3cA-2fvvA: 19.38
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.	5NKN_A_LOCA201_2 (NEUTROPHIL GELATINASE-ASSOCIATE D LIPOCALIN)	2p1n	TRANSPORT INHIBITOR RESPONSE 1 PROTEIN (Arabidopsis thaliana)	3 / 3	VAL B 463 LYS B 485 MET B 508	CFA B 602 (-4.6A) IHP B 601 (-2.5A) None	0.98A	5nknA-2p1nB: undetectable	5nknA-2p1nB: 10.02
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.	5O4Y_A_CCSA14_0 (PHE-MAA-ASN-PRO-HIS- LEU-SER-TRP-SER-TRP- 9KK-9KK-ARG-CCS-GLY- NH2)	3pa8	TOXIN B (Clostridioides difficile)	4 / 6	PHE A 107 ASN A 151 LEU A 153 GLY A 109	None IHP A 257 ( 4.0A) 621 A 300 ( 4.8A) 621 A 300 (-4.8A)	1.15A	5o4yA-3pa8A: undetectable	5o4yA-3pa8A: 6.13
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.	5X7P_A_ACRA1431_1 (GLYCOSIDE HYDROLASE FAMILY 31 ALPHA-GLUCOSIDASE)	3ntl	ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE (Enterobacter cloacae)	4 / 7	ASN A 25 ASP A 209 ASP A 288 ASN A 205	IHP A 550 ( 4.4A) IHP A 550 (-3.6A) IHP A 550 (-2.4A) IHP A 550 ( 4.2A)	1.11A	5x7pA-3ntlA: undetectable	5x7pA-3ntlA: 15.29
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.	5YW0_A_ACTA412_0 (UNCHARACTERIZED PROTEIN KDOO)	3ho6	TOXIN A (Clostridioides difficile)	3 / 3	LYS A 35 ASN A 61 SER A 65	IHP A 270 ( 3.3A) None None	1.07A	5yw0A-3ho6A: undetectable	5yw0A-3ho6A: 20.43
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.	6C06_D_FI8D1404_1 (DNA-DIRECTED RNA POLYMERASE SUBUNIT BETA')	5w40	POPP2 PROTEIN (Ralstonia solanacearum)	3 / 3	ARG A 322 LYS A 322 ARG A 416	SCY A 321 ( 4.0A) SCY A 321 ( 3.0A) IHP A 501 (-3.5A)	1.30A	6c06D-5w40A: undetectable	6c06D-5w40A: undetectable

[["DrReposER ID","Desc.","Hit PDB","Hit molecule","Hit organism","Res. no.","Interface","HETATM","RMSD","Z-score","Seq ID"],["1I2W_A_CFXA1300_2","BETA-LACTAMASE","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",4,"TYR A 216;PRO A  21;LEU A  22;THR A 312","None;None;IHP A 550 (-3.7A);None","1.31A","1i2wA-3ntlA:undetectable",null],["1YKI_A_NFZA1219_1","OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE;OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE","1dkp","PHYTASE","Escherichia coli",4,"TYR A 255;PHE A 254;THR A 156;PHE A 155","None;IHP A 550 (-4.4A);None;None","0.98A","1ykiA-1dkpA:0.0;1ykiB-1dkpA:0.0","1i2wA-3ntlA:21.30"],["1YKI_B_NFZB2219_1","OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE;OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE","1dkp","PHYTASE","Escherichia coli",4,"THR A 156;PHE A 155;TYR A 255;PHE A 254","None;None;None;IHP A 550 (-4.4A)","0.98A","1ykiA-1dkpA:0.0;1ykiB-1dkpA:0.0","1ykiA-1dkpA:20.74;1ykiB-1dkpA:20.74"],["1YKI_C_NFZC3219_1","OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE;OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE","1dkp","PHYTASE","Escherichia coli",4,"TYR A 255;PHE A 254;THR A 156;PHE A 155","None;IHP A 550 (-4.4A);None;None","0.97A","1ykiC-1dkpA:0.0;1ykiD-1dkpA:0.0","1ykiA-1dkpA:20.74;1ykiB-1dkpA:20.74"],["1YKI_D_NFZD4219_1","OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE;OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE","1dkp","PHYTASE","Escherichia coli",4,"THR A 156;PHE A 155;TYR A 255;PHE A 254","None;None;None;IHP A 550 (-4.4A)","0.98A","1ykiC-1dkpA:0.0;1ykiD-1dkpA:0.0","1ykiC-1dkpA:20.74;1ykiD-1dkpA:20.74"],["2CEO_B_T44B1395_1","THYROXINE-BINDING GLOBULIN","1dkp","PHYTASE","Escherichia coli",5,"ALA A 313;LEU A 124;LEU A 310;ASN A 306;ARG A 267","None;None;None;None;IHP A 550 (-3.9A)","1.39A","2ceoB-1dkpA:0.0","1ykiC-1dkpA:20.74;1ykiD-1dkpA:20.74"],["2DM6_A_IMNA1401_1","NADP-DEPENDENT LEUKOTRIENE B4 12-HYDROXYDEHYDROGENASE;NADP-DEPENDENT LEUKOTRIENE B4 12-HYDROXYDEHYDROGENASE","5ed1","DOUBLE-STRANDED RNA-SPECIFIC EDITASE 1","Homo sapiens",5,"TYR A 668;ALA A 671;ILE A 528;ILE A 540;TYR A 541","IHP A 801 (-4.8A);None;None;None;None","1.30A","2dm6A-5ed1A:undetectable;2dm6B-5ed1A:undetectable","2ceoB-1dkpA:21.65"],["2KCE_A_D16A566_1","THYMIDYLATE SYNTHASE","3fzy","RTX TOXIN RTXA","Vibrio cholerae",5,"SER A3487;GLU A3485;ASP A3452;GLY A3453;LYS A3611","None;None;None;None;IHP A8000 (-2.9A)","1.20A","2kceA-3fzyA:undetectable","2dm6A-5ed1A:23.08;2dm6B-5ed1A:23.08"],["2QEB_A_HSMA145_1","D7R4 PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",4,"ILE A 291;ARG A  15;TYR A 303;GLU A 310","None;IHP A 550 (-3.9A);None;None","1.01A","2qebA-3ntlA:undetectable","2kceA-3fzyA:22.11"],["2QEB_B_HSMB145_1","D7R4 PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",4,"ILE A 291;ARG A  15;TYR A 303;GLU A 310","None;IHP A 550 (-3.9A);None;None","1.03A","2qebB-3ntlA:undetectable","2qebA-3ntlA:15.50"],["2XCT_H_CPFH1020_1","DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A","2p1n","TRANSPORT INHIBITOR RESPONSE 1 PROTEIN","Arabidopsis thaliana",3,"ARG B 344;GLU B 342;SER B 215","IHP B 601 (-3.1A);None;None","0.92A","2xctD-2p1nB:undetectable","2qebB-3ntlA:15.50"],["2ZW9_B_SAMB801_1","LEUCINE CARBOXYL METHYLTRANSFERASE 2","3fzy","RTX TOXIN RTXA","Vibrio cholerae",4,"ILE A3584;LYS A3511;ARG A3457;SER A3632","UNX A 327 (-4.3A); CL A   1 ( 4.2A);IHP A8000 ( 4.0A);None","1.05A","2zw9B-3fzyA:undetectable","2xctD-2p1nB:22.94"],["2ZW9_B_SAMB801_1","LEUCINE CARBOXYL METHYLTRANSFERASE 2","3gcd","RTX TOXIN RTXA","Vibrio cholerae",4,"ILE A 156;LYS A  83;ARG A  29;SER A 204","None;None;IHP A 214 (-4.0A);None","0.99A","2zw9B-3gcdA:undetectable","2zw9B-3fzyA:15.14"],["3IA4_A_MTXA164_1","DIHYDROFOLATE REDUCTASE","3gcd","RTX TOXIN RTXA","Vibrio cholerae",5,"ALA A  47;LEU A 175;SER A 136;ILE A 137;LEU A 142","AZ0 A 213 (-3.8A);AZ0 A 213 (-3.4A);IHP A 214 (-2.9A);None;None","1.18A","3ia4A-3gcdA:undetectable","2zw9B-3gcdA:13.93"],["3IA4_B_MTXB164_1","DIHYDROFOLATE REDUCTASE","3gcd","RTX TOXIN RTXA","Vibrio cholerae",5,"ALA A  47;LEU A 175;SER A 136;ILE A 137;LEU A 142","AZ0 A 213 (-3.8A);AZ0 A 213 (-3.4A);IHP A 214 (-2.9A);None;None","1.18A","3ia4B-3gcdA:undetectable","3ia4A-3gcdA:17.94"],["3IA4_C_MTXC164_1","DIHYDROFOLATE REDUCTASE","3gcd","RTX TOXIN RTXA","Vibrio cholerae",5,"ALA A  47;LEU A 175;SER A 136;ILE A 137;LEU A 142","AZ0 A 213 (-3.8A);AZ0 A 213 (-3.4A);IHP A 214 (-2.9A);None;None","1.19A","3ia4C-3gcdA:undetectable","3ia4B-3gcdA:17.94"],["3IA4_D_MTXD164_1","DIHYDROFOLATE REDUCTASE","3gcd","RTX TOXIN RTXA","Vibrio cholerae",5,"ALA A  47;LEU A 175;SER A 136;ILE A 137;LEU A 142","AZ0 A 213 (-3.8A);AZ0 A 213 (-3.4A);IHP A 214 (-2.9A);None;None","1.19A","3ia4D-3gcdA:undetectable","3ia4C-3gcdA:17.94"],["3LS4_H_TCIH220_2","HEAVY CHAIN OF ANTIBODY FAB FRAGMENT;LIGHT CHAIN OF ANTIBODY FAB FRAGMENT","1dkp","PHYTASE","Escherichia coli",4,"GLN A 258;ILE A 144;LEU A 257;PHE A 254","None;None;None;IHP A 550 (-4.4A)","1.16A","3ls4L-1dkpA:undetectable","3ia4D-3gcdA:17.94"],["3OKX_A_SAMA201_0","YAEB-LIKE PROTEIN RPA0152","5hdt","SISTER CHROMATID COHESION PROTEIN PDS5 HOMOLOG B","Homo sapiens",5,"LEU A 836;ARG A 834;GLY A 847;THR A 848;SER A 849","None;IHP A1201 (-3.7A);None;None;None","1.06A","3okxA-5hdtA:undetectable","3ls4L-1dkpA:18.07"],["3OKX_B_SAMB201_1","YAEB-LIKE PROTEIN RPA0152","5hdt","SISTER CHROMATID COHESION PROTEIN PDS5 HOMOLOG B","Homo sapiens",5,"LEU A 836;ARG A 834;GLY A 847;THR A 848;SER A 849","None;IHP A1201 (-3.7A);None;None;None","1.30A","3okxB-5hdtA:undetectable","3okxA-5hdtA:9.57"],["4K8C_A_ADNA401_2","SUGAR KINASE","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",3,"SER A 206;TYR A 245;PRO A  21","None;IHP A 550 (-4.8A);None","0.96A","4k8cA-3ntlA:undetectable","3okxB-5hdtA:9.57"],["4KAH_A_ADNA401_2","PROBABLE SUGAR KINASE PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",3,"SER A 206;TYR A 245;PRO A  21","None;IHP A 550 (-4.8A);None","0.95A","4kahA-3ntlA:undetectable","4k8cA-3ntlA:22.43"],["4KAH_B_ADNB502_2","PROBABLE SUGAR KINASE PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",3,"SER A 206;TYR A 245;PRO A  21","None;IHP A 550 (-4.8A);None","0.96A","4kahB-3ntlA:undetectable","4kahA-3ntlA:22.43"],["4KAN_A_ADNA401_2","PROBABLE SUGAR KINASE PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",3,"SER A 206;TYR A 245;PRO A  21","None;IHP A 550 (-4.8A);None","0.94A","4kanA-3ntlA:undetectable","4kahB-3ntlA:22.43"],["4KAN_B_ADNB401_2","PROBABLE SUGAR KINASE PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",3,"SER A 206;TYR A 245;PRO A  21","None;IHP A 550 (-4.8A);None","0.96A","4kanB-3ntlA:undetectable","4kanA-3ntlA:22.43"],["4KBE_A_ADNA401_2","PROBABLE SUGAR KINASE PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",3,"SER A 206;TYR A 245;PRO A  21","None;IHP A 550 (-4.8A);None","0.97A","4kbeA-3ntlA:undetectable","4kanB-3ntlA:22.43"],["4KLR_A_CHDA504_0","FERROCHELATASE, MITOCHONDRIAL","5hdt","SISTER CHROMATID COHESION PROTEIN PDS5 HOMOLOG B","Homo sapiens",4,"LEU A 785;ARG A 834;SER A 754;VAL A 768","None;IHP A1201 (-3.7A);None;None","1.15A","4klrA-5hdtA:undetectable","4kbeA-3ntlA:22.43"],["4KM2_B_TOPB202_1","DIHYDROFOLATE REDUCTASE","5ed1","DOUBLE-STRANDED RNA-SPECIFIC EDITASE 1","Homo sapiens",5,"ASP A 392;VAL A 355;LEU A 444;ILE A 520;THR A 513","None;None;None;None;IHP A 801 (-4.1A)","1.10A","4km2B-5ed1A:undetectable","4klrA-5hdtA:17.04"],["4L1A_A_AB1A101_2","MDR769 HIV-1 PROTEASE;MDR769 HIV-1 PROTEASE","1dkp","PHYTASE","Escherichia coli",4,"ASN A 251;ASP A 304;GLY A 331;THR A 319","None;IHP A 550 (-3.2A);None;None","1.04A","4l1aB-1dkpA:undetectable","4km2B-5ed1A:18.38"],["4LBG_A_ADNA401_2","PROBABLE SUGAR KINASE PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",3,"SER A 206;TYR A 245;PRO A  21","None;IHP A 550 (-4.8A);None","0.96A","4lbgA-3ntlA:undetectable","4l1aB-1dkpA:13.76"],["4LBG_B_ADNB401_2","PROBABLE SUGAR KINASE PROTEIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",3,"SER A 206;TYR A 245;PRO A  21","None;IHP A 550 (-4.8A);None","0.94A","4lbgB-3ntlA:undetectable","4lbgA-3ntlA:22.43"],["4MBS_A_MRVA1101_2","CHIMERA PROTEIN OF C-C CHEMOKINE RECEPTOR TYPE 5 AND RUBREDOXIN","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",4,"TYR A 245;LEU A  18;THR A  48;THR A 312","IHP A 550 (-4.8A);None;None;None","0.97A","4mbsA-3ntlA:undetectable","4lbgB-3ntlA:22.43"],["4O4D_A_ACTA406_0","INOSITOL HEXAKISPHOSPHATE KINASE","4o4f","INOSITOL HEXAKISPHOSPHATE KINASE","Entamoeba histolytica",7,"TRP A 107;ASP A 108;THR A 111;ARG A 119;PHE A 206;SER A 207;HIS A 234","None;None;None;IHP A 403 (-3.1A);None; MG A 402 ( 4.5A);None","0.68A","4o4dA-4o4fA:40.9","4mbsA-3ntlA:21.09"],["4O8J_A_ADNA401_1","RNA 3'-TERMINAL PHOSPHATE CYCLASE","3fzy","RTX TOXIN RTXA","Vibrio cholerae",5,"GLN A3461;ARG A3513;GLN A3515;ASP A3606;HIS A3483","None;IHP A8000 (-2.6A);IHP A8000 ( 4.4A);None;IHP A8000 (-3.8A)","1.19A","4o8jA-3fzyA:0.0","4o4dA-4o4fA:100.00"],["4O8J_B_ADNB401_1","RNA 3'-TERMINAL PHOSPHATE CYCLASE","3fzy","RTX TOXIN RTXA","Vibrio cholerae",5,"GLN A3461;ARG A3513;GLN A3515;ASP A3606;HIS A3483","None;IHP A8000 (-2.6A);IHP A8000 ( 4.4A);None;IHP A8000 (-3.8A)","1.14A","4o8jB-3fzyA:0.1","4o8jA-3fzyA:20.50"],["4OKX_A_198A1002_2","ANDROGEN RECEPTOR","3pa8","TOXIN B","Clostridioides difficile",4,"LEU A 152;ASN A 151;LEU A  41;ILE A  38","None;IHP A 257 ( 4.0A);None;None","1.13A","4okxA-3pa8A:undetectable","4o8jB-3fzyA:20.50"],["4X1F_A_3WFA501_1","NUCLEAR RECEPTOR SUBFAMILY 1 GROUP I MEMBER 2","1dkp","PHYTASE","Escherichia coli",5,"ASP A  31;LEU A  28;LEU A 213;MET A 216;LEU A 170","None;None;None;IHP A 550 (-3.9A);None","1.12A","4x1fA-1dkpA:0.0","4okxA-3pa8A:23.84"],["5CDP_H_EVPH2101_1","DNA GYRASE SUBUNIT A;DNA GYRASE SUBUNIT B","4o4f","INOSITOL HEXAKISPHOSPHATE KINASE","Entamoeba histolytica",4,"SER A 136;GLY A 248;ASP A 247;GLY A 252","IHP A 403 ( 4.3A);PO4 A 406 (-3.7A);PO4 A 406 (-2.9A);None","0.77A","5cdpA-4o4fA:1.8;5cdpB-4o4fA:undetectable","4x1fA-1dkpA:22.12"],["5DQF_A_LCRA612_1","SERUM ALBUMIN","1dkp","PHYTASE","Escherichia coli",5,"LEU A 333;ASP A 304;LEU A 310;LEU A 271;ALA A 268","None;IHP A 550 (-3.2A);None;None;None","1.11A","5dqfA-1dkpA:undetectable","5cdpA-4o4fA:20.20;5cdpB-4o4fA:20.68"],["5HI6_B_MTXB201_1","DIHYDROFOLATE REDUCTASE","3gcd","RTX TOXIN RTXA","Vibrio cholerae",5,"ALA A  47;LEU A 175;SER A 136;ILE A 137;LEU A 142","AZ0 A 213 (-3.8A);AZ0 A 213 (-3.4A);IHP A 214 (-2.9A);None;None","1.14A","5hi6B-3gcdA:undetectable","5dqfA-1dkpA:20.41"],["5I3C_A_AC2A301_1","PURINE NUCLEOSIDE PHOSPHORYLASE DEOD-TYPE","2fvv","DIPHOSPHOINOSITOL POLYPHOSPHATE PHOSPHOHYDROLASE 1","Homo sapiens",5,"ARG A 115;SER A  39;ALA A  22;VAL A  48;GLU A  70","IHP A2360 ( 4.5A);IHP A2360 (-3.2A);None;None;None","1.16A","5i3cA-2fvvA:undetectable","5hi6B-3gcdA:21.50"],["5NKN_A_LOCA201_2","NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN","2p1n","TRANSPORT INHIBITOR RESPONSE 1 PROTEIN","Arabidopsis thaliana",3,"VAL B 463;LYS B 485;MET B 508","CFA B 602 (-4.6A);IHP B 601 (-2.5A);None","0.98A","5nknA-2p1nB:undetectable","5i3cA-2fvvA:19.38"],["5O4Y_A_CCSA14_0","PHE-MAA-ASN-PRO-HIS-LEU-SER-TRP-SER-TRP-9KK-9KK-ARG-CCS-GLY-NH2","3pa8","TOXIN B","Clostridioides difficile",4,"PHE A 107;ASN A 151;LEU A 153;GLY A 109","None;IHP A 257 ( 4.0A);621 A 300 ( 4.8A);621 A 300 (-4.8A)","1.15A","5o4yA-3pa8A:undetectable","5nknA-2p1nB:10.02"],["5X7P_A_ACRA1431_1","GLYCOSIDE HYDROLASE FAMILY 31 ALPHA-GLUCOSIDASE","3ntl","ACID GLUCOSE-1-PHOSPHATE PHOSPHATASE","Enterobacter cloacae",4,"ASN A  25;ASP A 209;ASP A 288;ASN A 205","IHP A 550 ( 4.4A);IHP A 550 (-3.6A);IHP A 550 (-2.4A);IHP A 550 ( 4.2A)","1.11A","5x7pA-3ntlA:undetectable","5o4yA-3pa8A:6.13"],["5YW0_A_ACTA412_0","UNCHARACTERIZED PROTEIN KDOO","3ho6","TOXIN A","Clostridioides difficile",3,"LYS A  35;ASN A  61;SER A  65","IHP A 270 ( 3.3A);None;None","1.07A","5yw0A-3ho6A:undetectable","5x7pA-3ntlA:15.29"],["6C06_D_FI8D1404_1","DNA-DIRECTED RNA POLYMERASE SUBUNIT BETA'","5w40","POPP2 PROTEIN","Ralstonia solanacearum",3,"ARG A 322;LYS A 322;ARG A 416","SCY A 321 ( 4.0A);SCY A 321 ( 3.0A);IHP A 501 (-3.5A)","1.30A","6c06D-5w40A:undetectable","5yw0A-3ho6A:20.43"]]