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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		1d7w MYELOPEROXIDASE
(Homo
sapiens)		3 / 3HIS A  95
ARG C 239
GLU C 242
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
HEM  A 605 (-2.1A)
0.43A38.17
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.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		1u6g TIP120 PROTEIN
(Homo
sapiens)		3 / 3HIS C 848
ARG C 808
GLU C 844
None
0.93A19.27
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.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		1x2l HOMEOBOX PROTEIN
CUX-2
(Homo
sapiens)		3 / 3HIS A  33
ARG A  90
GLU A  83
None
1.02A11.45
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.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		2dig LAMIN-B RECEPTOR
(Homo
sapiens)		3 / 3HIS A  37
ARG A  11
GLU A  58
None
1.05A8.65
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.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		2rea PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
3-KINASE C2
DOMAIN-CONTAINING
ALPHA POLYPEPTIDE
(Homo
sapiens)		3 / 3HIS A1536
ARG A1461
GLU A1468
None
1.08A10.07
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.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		4f0e POLY [ADP-RIBOSE]
POLYMERASE 15
(Homo
sapiens)		3 / 3HIS A 463
ARG A 505
GLU A 649
None
1.01A15.98
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.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		4knw N-ACYLNEURAMINATE-9-
PHOSPHATASE
(Homo
sapiens)		3 / 3HIS A 109
ARG A  28
GLU A  32
None
1.05A16.36
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.
3QF1_A_PZEA6951_1
(LACTOPEROXIDASE)		4s0u RETINOIC ACID EARLY
TRANSCRIPT 1L
PROTEIN
(Homo
sapiens)		3 / 3HIS C 183
ARG C 156
GLU C 154
None
0.84A14.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		1ck7 PROTEIN (GELATINASE
A)
(Homo
sapiens)		3 / 3TYR A 182
HIS A 193
PHE A 195
None
ZN  A 991 ( 3.1A)
None
0.28A33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		1eak 72 KDA TYPE IV
COLLAGENASE
(Homo
sapiens)		3 / 3TYR A 182
HIS A 193
PHE A 195
None
ZN  A 996 (-3.1A)
None
0.26A33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		1l6j MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		3 / 3TYR A 179
HIS A 190
PHE A 192
None
ZN  A 501 (-3.4A)
None
0.32A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		1qib 72 KDA TYPE IV
COLLAGENASE
(Homo
sapiens)		3 / 3TYR A 155
HIS A 166
PHE A 168
None
ZN  A 502 (-3.5A)
None
0.14A58.75
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		1xb0 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 8
(Homo
sapiens)		3 / 3TYR A 329
HIS A 302
PHE A 301
None
ZN  A 401 (-3.6A)
None
0.95A16.67
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		2cr6 KIAA1556 PROTEIN
(Homo
sapiens)		3 / 3TYR A  42
HIS A  70
PHE A  87
None
1.03A20.83
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		2jk7 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4
(Homo
sapiens)		3 / 3TYR A 329
HIS A 302
PHE A 301
None
0.92A20.21
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		2lkm MORTALITY FACTOR
4-LIKE PROTEIN 1
(Homo
sapiens)		3 / 3TYR B 318
HIS B 319
PHE B 237
None
0.87A19.59
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		2y6c MATRILYSIN
(Homo
sapiens)		3 / 3TYR A 172
HIS A 183
PHE A 185
None
ZN  A1266 ( 3.3A)
None
0.35A21.12
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		3ddu PROLYL ENDOPEPTIDASE
(Homo
sapiens)		3 / 3TYR A  86
HIS A  79
PHE A 395
None
1.01A7.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		3o2x COLLAGENASE 3
(Homo
sapiens)		3 / 3TYR A1176
HIS A1187
PHE A1189
EPE  A 400 ( 4.1A)
ZN  A1998 ( 3.2A)
EPE  A 400 (-3.9A)
0.22A53.75
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		4bws THIOREDOXIN-LIKE
PROTEIN 4A
(Homo
sapiens)		3 / 3TYR A  73
HIS A  89
PHE A  84
None
1.02A20.42
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		4cdo THIOREDOXIN-LIKE
PROTEIN 4A,
POLYGLUTAMINE-BINDIN
G PROTEIN
(Homo
sapiens)		3 / 3TYR A  73
HIS A  89
PHE A  84
None
1.07A19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		4fvl COLLAGENASE 3
(Homo
sapiens)		3 / 3TYR A 176
HIS A 187
PHE A 189
None
ZN  A 502 (-3.3A)
None
0.56A53.75
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		4fz8 FAB HEAVY CHAIN OF
HUMAN ANTI-HIV-1 ENV
ANTIBODY C11
(Homo
sapiens)		3 / 3TYR H  56
HIS H 100
PHE H  99
None
0.67A13.92
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		4nz6 TRNA PSEUDOURIDINE
SYNTHASE A,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3TYR A 239
HIS A 243
PHE A 245
None
0.89A16.33
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		4pju COHESIN SUBUNIT SA-2
(Homo
sapiens)		3 / 3TYR A 636
HIS A 701
PHE A 697
None
0.90A6.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		3 / 3TYR A 179
HIS A 190
PHE A 192
DMS  A 307 ( 3.9A)
ZN  A 303 ( 3.2A)
DMS  A 307 (-4.2A)
0.10A100.00
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		5i3o BMP-2-INDUCIBLE
PROTEIN KINASE
(Homo
sapiens)		3 / 3TYR A 286
HIS A 291
PHE A 261
None
0.89A13.33
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		5idn CYCLIN-DEPENDENT
KINASE 8
(Homo
sapiens)		3 / 3TYR A 353
HIS A 102
PHE A 346
None
1.05A13.46
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		5m6m E3 UBIQUITIN-PROTEIN
LIGASE XIAP
(Homo
sapiens)		3 / 3TYR A 329
HIS A 302
PHE A 301
None
0.93A18.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)		5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		3 / 3TYR A 179
HIS A 190
PHE A 192
None
ZN  A 502 (-3.2A)
None
0.35A100.00