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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		1ldk CULLIN HOMOLOG
(Homo
sapiens)		4 / 5ILE B 635
THR B 690
GLU B 695
GLU B 697
None
1.19A21.83
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL
(Homo
sapiens)		4 / 5ILE A 249
ARG A 397
GLU A 344
GLU A 394
None
1.01A22.59
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		3lms CARBOXYPEPTIDASE B2
(Homo
sapiens)		4 / 5ILE A  86
ARG A 101
THR A  97
GLU A  56
None
1.34A17.52
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens)		4 / 5ILE A1508
THR A1512
GLU A1423
GLU A1136
None
1.33A13.82
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		5c16 MYOTUBULARIN-RELATED
PROTEIN 1
(Homo
sapiens)		4 / 5ILE A 427
ARG A 238
GLU A 473
GLU A 235
None
1.48A18.13
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB6
(Homo
sapiens)		4 / 5ILE F 124
ARG F 108
THR F  54
GLU F  61
None
1.46A20.66
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		5wy8 INTERLEUKIN-1
RECEPTOR ACCESSORY
PROTEIN-LIKE 1
(Homo
sapiens)		4 / 5ILE B 211
THR B 234
GLU B 308
GLU B 312
None
1.36A12.88
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		1f2h TUMOR NECROSIS
FACTOR RECEPTOR TYPE
1 ASSOCIATED DEATH
DOMAIN PROTEIN
(Homo
sapiens)		4 / 8ARG A  43
ALA A  40
GLY A  54
PRO A  56
None
0.90A20.15
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)		4 / 8LEU A 323
ARG A 204
ALA A 203
GLY A 250
None
0.92A16.64
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2coe DEOXYNUCLEOTIDYLTRAN
SFERASE, TERMINAL
VARIANT
(Homo
sapiens)		4 / 8LEU A  24
ARG A  51
GLY A 103
PRO A 105
None
0.85A18.11
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2ewy BETA-SECRETASE 2
(Homo
sapiens)		4 / 8LEU A 137
ALA A 140
THR A 151
GLY A 190
None
0.88A22.53
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2i7p PANTOTHENATE KINASE
3
(Homo
sapiens)		4 / 8LEU A 139
ALA A 362
THR A 114
GLY A 321
None
0.92A20.86
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens)		4 / 8LEU A 386
ALA A 349
GLY A  72
PRO A  54
None
0.89A21.65
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8LEU A 394
THR A 499
GLY A 725
PRO A 724
None
None
B12  A 800 ( 4.4A)
B12  A 800 (-4.0A)
0.88A16.04
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3ber PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX47
(Homo
sapiens)		4 / 8LEU A 115
THR A  75
TRP A  44
GLY A  43
None
AMP  A 300 (-3.6A)
AMP  A 300 (-3.5A)
None
0.92A22.97
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3c1x HEPATOCYTE GROWTH
FACTOR RECEPTOR
(Homo
sapiens)		4 / 8LEU A1125
ALA A1057
GLY A1151
PRO A1153
None
0.93A21.76
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9
(Homo
sapiens)		4 / 8LEU A 297
ALA A 315
THR A 313
GLY A 259
None
0.93A20.26
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		3qnw CASPASE-6
(Homo
sapiens)		4 / 8LEU B 286
ALA A  34
GLY A 153
PRO A 155
None
0.94A15.21