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.
2VAV_F_CSCF1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		4cyf PANTETHEINASE
(Homo
sapiens)		5 / 12THR A 399
PHE A 431
ASP A 340
PHE A 342
VAL A 337
None
1.29A23.67
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.
2VAV_F_CSCF1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6apb ADI-14359 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12THR L 102
THR L  85
TYR L 140
GLN L 166
VAL L  19
None
1.50A10.88
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		1w89 THIOREDOXIN
(Homo
sapiens)		3 / 3LEU A  78
MET A  80
MET A  44
None
0.86A12.84
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3LEU A 643
MET A 641
MET A 743
None
0.89A20.66
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		3e3b CASEIN KINASE II
SUBUNIT ALPHA'
(Homo
sapiens)		3 / 3LEU X 214
MET X 154
MET X 138
None
0.51A20.38
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		4e1o HISTIDINE
DECARBOXYLASE
(Homo
sapiens)		3 / 3LEU A 374
MET A 307
MET A 384
None
0.97A21.19
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA
(Homo
sapiens)		3 / 3LEU A 479
MET A 636
MET A 517
None
0.80A21.08
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		4h1s 5'-NUCLEOTIDASE
(Homo
sapiens)		3 / 3LEU A 115
MET A 113
MET A 225
None
0.96A21.74
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		4md8 CASEIN KINASE II
SUBUNIT ALPHA
(Homo
sapiens)		3 / 3LEU E 213
MET E 153
MET E 137
None
0.66A20.70
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		4qdr NEUROPILIN-2
(Homo
sapiens)		3 / 3LEU A 587
MET A 440
MET A 338
None
1.03A21.48
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		5c91 E3 UBIQUITIN-PROTEIN
LIGASE NEDD4
(Homo
sapiens)		3 / 3LEU A 773
MET A 777
MET A 835
None
0.95A21.75
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		3 / 3LEU A2354
MET A2345
MET A2387
None
1.03A10.81
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		5mms CYSTATHIONINE
BETA-SYNTHASE
(Homo
sapiens)		3 / 3LEU A 106
MET A  89
MET A 337
None
1.04A22.84
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		5mov CASEIN KINASE II
SUBUNIT ALPHA
(Homo
sapiens)		3 / 3LEU A 213
MET A 153
MET A 137
None
0.71A20.45
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		5uan RETINOIC ACID
RECEPTOR BETA
RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)		3 / 3LEU A 392
MET A 230
MET B 366
None
1.03A20.51
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		5vm9 PROTEIN ARGONAUTE-3
(Homo
sapiens)		3 / 3LEU A  33
MET A 406
MET A 211
None
1.06A20.05
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.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)
(Homo
sapiens)		3 / 3LEU A 137
MET A 931
MET A 877
None
0.95A10.86
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.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		2i6l MITOGEN-ACTIVATED
PROTEIN KINASE 6
(Homo
sapiens)		5 / 12LEU A 297
ARG A 304
PHE A 232
ASP A 255
VAL A 251
None
1.42A20.77
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.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		5tvt MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE
(Homo
sapiens)		5 / 12THR A 316
LEU A 319
THR A  33
TYR A  11
HIS A  74
None
1.48A20.00
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.
2VAV_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		5 / 12LEU A1111
ARG A1141
ASP A1085
PHE A1082
VAL A1081
None
1.17A10.81
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.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		3szb ALDEHYDE
DEHYDROGENASE
(Homo
sapiens)		5 / 12LEU A 119
THR A 186
TYR A 412
LYS A 416
HIS A 413
I1E  A1001 ( 4.8A)
None
None
None
None
1.39A21.37
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.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6apb ADI-14359 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12THR L 102
THR L  85
TYR L 140
GLN L 166
VAL L  19
None
1.47A10.88
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.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		3szb ALDEHYDE
DEHYDROGENASE
(Homo
sapiens)		5 / 12LEU A 119
THR A 186
TYR A 412
LYS A 416
HIS A 413
I1E  A1001 ( 4.8A)
None
None
None
None
1.41A21.37
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.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		6apb ADI-14359 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12THR L 102
THR L  85
TYR L 140
GLN L 166
VAL L  19
None
1.47A10.88
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.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		3rw9 SPERMIDINE SYNTHASE
(Homo
sapiens)		5 / 11CYH A 205
TYR A 233
GLY A 207
ILE A 246
TYR A  79
None
None
None
None
DSH  A 303 ( 4.9A)
1.25A19.75