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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
1ad9 IGG CTM01 FAB (HEAVY
CHAIN)
(Homo
sapiens)
4 / 6ASN H  76
ALA H  24
PRO H  52
TYR H  27
None
1.05A17.04
15.84
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)
4 / 6ASN A 170
PRO A  49
VAL A 171
ASP A 304
None
1.16A10.28
10.18
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
2hrb CARBONYL REDUCTASE
[NADPH] 3
(Homo
sapiens)
4 / 6ASN A 137
ALA A 225
PRO A 251
VAL A 136
None
1.18A14.13
13.74
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
2l0b E3 UBIQUITIN-PROTEIN
LIGASE PRAJA-1
(Homo
sapiens)
4 / 6ALA A  56
VAL A  70
ASP A  54
TYR A  50
None
1.16A20.00
22.92
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
2pa5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 9
(Homo
sapiens)
4 / 6ASN A 370
ALA A 371
PRO A 509
ASP A 364
None
1.22A13.55
14.93
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
3bhi CARBONYL REDUCTASE
[NADPH] 1
(Homo
sapiens)
4 / 6ASN A 136
ALA A 224
PRO A 250
VAL A 135
None
1.05A13.77
14.75
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
3eo9 EFALIZUMAB FAB
FRAGMENT, HEAVY
CHAIN
(Homo
sapiens)
4 / 6ASN H  77
ALA H  24
PRO H  53
TYR H  27
None
1.05A20.43
17.14
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
3ntc FAB HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)
4 / 6ASN H  76
ALA H  24
PRO H  52
TYR H  27
EDO  H 222 (-2.7A)
None
None
None
1.14A17.41
15.94
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E
(Homo
sapiens)
4 / 6ASN B 262
VAL B 261
ASP B 246
TYR B 266
CA  B5004 (-3.1A)
None
CA  B5004 (-2.5A)
None
1.23A8.33
7.91
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
5i8e VRC34.01 FAB HEAVY
CHAIN
(Homo
sapiens)
4 / 6ASN A  76
ALA A  24
PRO A  52
TYR A  27
None
0.97A20.09
16.67
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.
5UMD_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)
5okl AFAMIN
(Homo
sapiens)
4 / 6ASN A 554
ALA A 553
PRO A 574
VAL A 555
None
1.16A21.43
21.11
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6
(Homo
sapiens)
5 / 9GLY A 664
VAL A 676
GLU A 675
GLY A 666
PRO A 632
None
1.34A7.21
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
1zlr COAGULATION FACTOR
XI
(Homo
sapiens)
5 / 9VAL A 210
GLY A 184
TYR A 228
VAL A 163
PRO A 225
None
1.36A16.53
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)
5 / 9VAL A 335
GLY A 299
GLU A 305
ASP A 297
GLY A 296
None
1.27A11.60
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
2bwj ADENYLATE KINASE 5
(Homo
sapiens)
5 / 9GLY A 109
TYR A  98
GLU A 106
GLY A 113
PRO A 115
None
1.35A18.69
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
2pi2 REPLICATION PROTEIN
A 14 KDA SUBUNIT
(Homo
sapiens)
5 / 9VAL E  25
GLY E  29
VAL E  67
GLU E  68
ASP E  45
None
1.19A19.86
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
3bvh FIBRINOGEN BETA
CHAIN
(Homo
sapiens)
5 / 9GLY B 414
TYR B 422
VAL B 435
ASP B 398
GLY B 399
None
1.36A16.48
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
3h32 FIBRINOGEN BETA
CHAIN
(Homo
sapiens)
5 / 9GLY B 414
TYR B 404
ASP B 433
GLY B 434
PRO B 412
None
1.32A11.16
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
3pow CALRETICULIN
(Homo
sapiens)
5 / 9VAL A 184
TYR A 172
VAL A 110
ASP A 135
GLY A 107
None
1.24A14.02
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1
(Homo
sapiens)
5 / 9VAL A 179
GLY A 243
VAL A 215
GLU A 214
GLY A 257
None
None
LLP  A 247 ( 3.7A)
None
None
1.33A11.25
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1
(Homo
sapiens)
5 / 9VAL A 179
GLY A 243
VAL A 215
GLU A 214
GLY A 257
None
None
LLP  A 247 ( 4.7A)
None
None
1.35A11.21
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5e6s INTEGRIN ALPHA-L
(Homo
sapiens)
5 / 9GLY A 328
VAL A 340
ASP A  87
GLY A 102
PRO A 120
None
1.34A6.97
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5eod COAGULATION FACTOR
XI
(Homo
sapiens)
5 / 9VAL A 572
GLY A 544
TYR A 590
VAL A 522
PRO A 587
None
1.39A8.92
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5f8z PLASMA KALLIKREIN
LIGHT CHAIN
(Homo
sapiens)
5 / 9VAL A 210
GLY A 184
TYR A 228
VAL A 163
PRO A 225
None
1.35A16.95
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
5f9o CH235.9 HEAVY CHAIN
(Homo
sapiens)
5 / 9VAL H  68
GLY H   8
TYR H  94
MET H  81
GLY H  10
None
1.20A17.52
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1
(Homo
sapiens)
5 / 9GLY A 141
TYR A 147
GLU A 143
ASP A 191
GLY A 192
None
1.19A22.35