POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
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.
2WB9_A_CYSA301_0
(GLUTATHIONE
TRANSFERASE SIGMA
CLASS)		5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2
(Homo
sapiens)		4 / 5GLY A1105
ARG A1109
TYR A 950
TYR A 952
None
1.48A18.55
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.
2WB9_A_CYSA301_0
(GLUTATHIONE
TRANSFERASE SIGMA
CLASS)		5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1
(Homo
sapiens)		4 / 5GLY A1193
ARG A1197
TYR A1038
TYR A1040
None
1.46A20.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		1d7w MYELOPEROXIDASE
(Homo
sapiens)		3 / 3ARG C 239
GLU C 242
PHE C 366
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
None
0.36A45.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		1d7w MYELOPEROXIDASE
(Homo
sapiens)		3 / 3ARG C 239
GLU C 242
PHE C 407
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
HEM  A 605 (-4.5A)
0.95A45.12
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		1p22 F-BOX/WD-REPEAT
PROTEIN 1A
(Homo
sapiens)		3 / 3ARG A 204
GLU A 529
PHE A 530
None
0.85A22.11
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		1ujs ACTIN-BINDING LIM
PROTEIN HOMOLOGUE
(Homo
sapiens)		3 / 3ARG A  72
GLU A  45
PHE A  53
None
1.02A9.85
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		1ux6 THROMBOSPONDIN-1
(Homo
sapiens)		3 / 3ARG A1000
GLU A 999
PHE A1087
None
0.96A20.86
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		1xox APOPTOSIS INHIBITOR
SURVIVIN
(Homo
sapiens)		3 / 3ARG A 106
GLU A 107
PHE A  59
None
1.01A11.41
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		1zv6 EPB49 PROTEIN
(Homo
sapiens)		3 / 3ARG A  66
GLU A  39
PHE A  47
None
0.96A8.80
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens)		3 / 3ARG A 149
GLU A 146
PHE A 154
None
0.92A19.62
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		2l4c ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 27
(Homo
sapiens)		3 / 3ARG A 109
GLU A 112
PHE A  57
None
0.99A11.58
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		2qp4 BILE SALT
SULFOTRANSFERASE
(Homo
sapiens)		3 / 3ARG A  27
GLU A   9
PHE A   8
None
0.73A18.27
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		3g2f BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-2
(Homo
sapiens)		3 / 3ARG A 459
GLU A 481
PHE A 462
None
0.87A18.85
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		4bb9 GLUCOKINASE
REGULATORY PROTEIN
(Homo
sapiens)		3 / 3ARG A 297
GLU A 294
PHE A 466
None
0.95A21.91
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A
(Homo
sapiens)		3 / 3ARG A 137
GLU A 138
PHE A  26
None
0.96A24.27
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		4fm9 DNA TOPOISOMERASE
2-ALPHA
(Homo
sapiens)		3 / 3ARG A 713
GLU A 712
PHE A1003
None
0.98A22.49
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		4krf PROTEIN ARGONAUTE-1
(Homo
sapiens)		3 / 3ARG A  88
GLU A 394
PHE A 395
None
0.87A20.66
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		4nrq RNA DEMETHYLASE
ALKBH5
(Homo
sapiens)		3 / 3ARG A 213
GLU A 212
PHE A 186
None
0.94A15.93
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		4p5k RAS PEPTIDE,HLA
CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DP BETA 1
CHAIN
(Homo
sapiens)		3 / 3ARG B  27
GLU B  26
PHE B -18
None
0.97A16.70
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		4yaq PG9_N100FY FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3ARG H  94
GLU H  95
PHE H  50
PCA  H   2 (-4.0A)
None
None
1.02A17.98
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		5f9s SERINE--PYRUVATE
AMINOTRANSFERASE
(Homo
sapiens)		3 / 3ARG A 381
GLU A 378
PHE A 343
None
0.86A21.26
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6
(Homo
sapiens)		3 / 3ARG A 197
GLU A 161
PHE A 186
None
0.99A23.62
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		5gwj DNA TOPOISOMERASE
2-BETA
(Homo
sapiens)		3 / 3ARG A 729
GLU A 728
PHE A1019
None
0.93A22.34
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		5mgv PHENYLALANINE--TRNA
LIGASE,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3ARG A 282
GLU A 281
PHE A 296
None
0.97A20.56
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		3gzd SELENOCYSTEINE LYASE
(Homo
sapiens)		5 / 8ALA C  38
HIS C 145
ASN C 198
LYS C 259
ARG C 415
NO3  C 600 (-3.6A)
PLR  C 500 (-3.7A)
NO3  C 600 (-3.5A)
PLR  C 500 (-1.3A)
NO3  C 600 (-3.1A)
0.63A27.62
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		4 / 8ALA A1922
HIS A1915
ASN A1920
THR A1881
None
1.32A17.11
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		4wab PROSTAGLANDIN E
SYNTHASE,LEUKOTRIENE
C4 SYNTHASE
(Homo
sapiens)		4 / 8HIS A 113
ASN A  74
ARG A  70
ARG A  73
GSH  A 201 (-4.1A)
GSH  A 201 (-3.7A)
None
GSH  A 201 (-3.7A)
1.21A21.37
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		4yl0 PROSTAGLANDIN E
SYNTHASE
(Homo
sapiens)		4 / 8HIS A 113
ASN A  74
ARG A  70
ARG A  73
GSH  A 202 (-4.0A)
GSH  A 202 (-3.6A)
None
GSH  A 202 (-3.3A)
1.29A17.24
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5anb EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6
ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1
(Dictyostelium
discoideum;
Homo
sapiens)		4 / 8ALA I 183
LYS K 493
HIS I 162
THR I 165
None
1.32A19.61
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		4 / 8ALA A 393
HIS A 398
ARG A  38
THR A 185
None
1.18A21.13
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		6ez8 HUNTINGTIN
FACTOR VIII INTRON
22 PROTEIN
(Homo
sapiens;
Homo
sapiens)		4 / 8HIS A2906
ARG A2960
HIS A2909
THR B 198
None
1.23Aundetectable