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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)
(Homo
sapiens)		4 / 8HIS A  56
ASP A  58
HIS A 110
HIS A 173
 ZN  A 261 ( 3.3A)
ZN  A 262 (-2.7A)
ZN  A 261 (-3.3A)
ZN  A 262 (-3.3A)
0.70A22.36
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2b1p MITOGEN-ACTIVATED
PROTEIN KINASE 10
(Homo
sapiens)		4 / 8VAL A 350
HIS A 187
ASP A 245
HIS A 181
None
0.93A20.00
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT
(Homo
sapiens)		4 / 8HIS A  73
ASP A  75
HIS A 158
HIS A 418
 ZN  A 482 ( 3.2A)
ZN  A 481 ( 2.6A)
ZN  A 482 ( 3.3A)
ZN  A 481 ( 3.4A)
0.75A18.68
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		3c0i PERIPHERAL PLASMA
MEMBRANE PROTEIN
CASK
(Homo
sapiens)		4 / 8VAL A 267
HIS A 139
ASP A 201
HIS A 133
None
0.81A20.44
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1
(Homo
sapiens)		4 / 8HIS A  64
ASP A  66
HIS A 182
HIS A 313
 ZN  A1364 ( 3.2A)
ZN  A1363 ( 2.6A)
ZN  A1364 ( 3.5A)
ZN  A1363 ( 3.4A)
0.72A21.07
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2
(Homo
sapiens)		4 / 8HIS A  79
ASP A  81
HIS A 145
HIS A 199
 ZN  A1001 (-3.3A)
ZN  A1000 (-2.8A)
ZN  A1001 (-3.3A)
ZN  A1000 (-3.3A)
0.78A23.75
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D
(Homo
sapiens)		4 / 8HIS A 187
ASP A 189
HIS A 253
HIS A 343
 ZN  A 501 ( 3.4A)
ZN  A 502 ( 2.5A)
ZN  A 501 ( 3.5A)
ZN  A 502 ( 3.6A)
0.69A20.77
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		4qtb MITOGEN-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens)		4 / 8VAL A 321
HIS A 164
ASP A 227
HIS A 158
None
0.94A21.41
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1
(Homo
sapiens)		4 / 8HIS A 119
ASP A 121
HIS A 172
HIS A 234
 FE  A1242 (-3.4A)
FE  A1243 (-2.9A)
FE  A1242 (-3.4A)
FE  A1243 (-3.2A)
0.68A23.61
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1
(Homo
sapiens)		4 / 8VAL A 400
HIS A 273
ASP A 335
HIS A 267
None
0.91Aundetectable
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens)		4 / 8VAL A 437
HIS A 310
ASP A 372
HIS A 304
None
0.92Aundetectable
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		1dgf CATALASE
(Homo
sapiens)		4 / 7MET A 212
HIS A  75
GLY A 147
ASN A 148
None
HEM  A3000 (-3.4A)
HEM  A3000 (-3.8A)
HEM  A3000 (-3.4A)
1.37A20.37
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		1eak 72 KDA TYPE IV
COLLAGENASE
(Homo
sapiens)		4 / 7HIS A 413
GLY A 103
ASN A 104
HIS A 403
 ZN  A 997 (-3.5A)
None
None
ZN  A 997 (-3.5A)
1.38A20.14
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		1kq0 METHIONINE
AMINOPEPTIDASE 2
(Homo
sapiens)		4 / 7MET A 184
HIS A 460
GLY A 475
HIS A 176
TBU  A 501 ( 4.1A)
None
None
None
1.30A18.33
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		2adu METHIONINE
AMINOPEPTIDASE 2
(Homo
sapiens)		4 / 7MET A 184
HIS A 460
GLY A 475
HIS A 176
None
1.25A18.39
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5
(Homo
sapiens)		4 / 7HIS X  90
GLY X  88
ASN X  89
HIS X 219
None
None
None
FE2  X1306 (-3.2A)
0.98A20.00
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR
(Homo
sapiens)		4 / 7CYH C 302
GLY C 320
ASN C 305
HIS C 254
None
1.31A20.74
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		4jhp X-LINKED RETINITIS
PIGMENTOSA GTPASE
REGULATOR
(Homo
sapiens)		4 / 7HIS C  98
GLY C 112
ASN C  97
HIS C  46
None
1.30A20.74
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1
(Homo
sapiens)		4 / 7MET A 266
CYH A 280
GLY A 102
HIS A 273
None
1.12A20.56
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		5npr UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110 KDA
SUBUNIT
(Homo
sapiens)		4 / 7HIS A 562
GLY A 556
ASN A 557
HIS A 558
None
1.03Aundetectable