SIMILAR PATTERNS OF AMINO ACIDS FOR 3LPS_A_NOVA901

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1aj6 GYRASE

(Escherichia
coli) 		PF02518
(HATPase_c) 		7 ASN A  46
GLU A  50
ASP A  73
ARG A  76
PRO A  79
ILE A  94
THR A 165
 NOV  A   1 (-4.0A)
NOV  A   1 (-3.8A)
NOV  A   1 (-3.5A)
NOV  A   1 (-3.5A)
NOV  A   1 (-4.2A)
NOV  A   1 ( 4.4A)
NOV  A   1 ( 4.1A)
 0.51A 3lpsA-1aj6A:
27.3		 3lpsA-1aj6A:
32.30
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.
1b3q PROTEIN (CHEMOTAXIS
PROTEIN CHEA)

(Thermotoga
maritima) 		PF01584
(CheW)
PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		5 ASN A 409
ASP A 412
ASP A 449
ARG A 452
THR A 531
 None
 1.14A 3lpsA-1b3qA:
2.6		 3lpsA-1b3qA:
23.46
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.
1b63 MUTL

(Escherichia
coli) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		6 ASN A  33
SER A  34
ASP A  36
ASP A  58
ASP A  66
THR A 143
 MG  A 701 ( 2.5A)
ANP  A 380 ( 3.8A)
None
ANP  A 380 (-3.6A)
None
ANP  A 380 (-3.7A)
 0.61A 3lpsA-1b63A:
19.1		 3lpsA-1b63A:
23.71
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.
1ea6 PMS1 PROTEIN HOMOLOG
2

(Homo sapiens) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ASN A  45
SER A  46
ASP A  48
ASP A  70
THR A 155
 MG  A1365 ( 3.0A)
ADP  A1366 ( 3.9A)
None
ADP  A1366 (-3.4A)
ADP  A1366 ( 4.0A)
 0.53A 3lpsA-1ea6A:
17.0		 3lpsA-1ea6A:
23.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kij DNA GYRASE SUBUNIT B

(Thermus
thermophilus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		10 ASN A  45
ASP A  48
GLU A  49
ASP A  72
ARG A  75
PRO A  78
ASP A  80
ILE A  93
ARG A 135
THR A 166
 NOV  A 400 (-3.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-3.6A)
NOV  A 400 (-3.1A)
NOV  A 400 (-3.4A)
NOV  A 400 (-4.4A)
NOV  A 400 (-2.8A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
NOV  A 400 (-3.3A)
 0.50A 3lpsA-1kijA:
39.5		 3lpsA-1kijA:
36.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s14 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		12 ASN A1042
SER A1043
ASP A1045
GLU A1046
ASP A1069
ARG A1072
MET A1074
PRO A1075
ASP A1077
ILE A1090
ARG A1132
THR A1163
 NOV  A1300 (-3.7A)
NOV  A1300 (-3.6A)
None
NOV  A1300 (-3.7A)
NOV  A1300 (-3.4A)
NOV  A1300 (-3.1A)
NOV  A1300 (-3.7A)
NOV  A1300 (-4.5A)
NOV  A1300 (-2.7A)
NOV  A1300 ( 4.6A)
NOV  A1300 (-2.9A)
NOV  A1300 ( 4.0A)
 0.46A 3lpsA-1s14A:
27.5		 3lpsA-1s14A:
41.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s16 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		12 ASN A1042
SER A1043
ASP A1045
GLU A1046
ASP A1069
ARG A1072
MET A1074
PRO A1075
ASP A1077
ILE A1090
ARG A1132
THR A1163
 ANP  A1500 (-3.2A)
ANP  A1500 ( 4.0A)
None
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
ANP  A1500 (-4.3A)
None
None
ANP  A1500 ( 3.2A)
None
ANP  A1500 (-3.7A)
 0.66A 3lpsA-1s16A:
43.1		 3lpsA-1s16A:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s16 TOPOISOMERASE IV
SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASP A1045
GLU A1046
MET A1074
ILE A1116
THR A1163
 None
ANP  A1500 (-3.7A)
ANP  A1500 (-4.3A)
ANP  A1500 (-4.1A)
ANP  A1500 (-3.7A)
 1.39A 3lpsA-1s16A:
43.1		 3lpsA-1s16A:
58.92
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.
1t6s CONSERVED
HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF04079
(SMC_ScpB) 		5 ASN A  49
ASP A  46
ASP A  51
ARG A   5
ILE A  16
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.15A 3lpsA-1t6sA:
undetectable		 3lpsA-1t6sA:
19.79
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.
1t6s CONSERVED
HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF04079
(SMC_ScpB) 		5 ASN A  49
ASP A  46
GLU A  47
ASP A  51
ARG A   5
 None
NO3  A 407 ( 4.9A)
None
None
None
 1.29A 3lpsA-1t6sA:
undetectable		 3lpsA-1t6sA:
19.79
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.
1v2d GLUTAMINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00155
(Aminotran_1_2) 		5 ASN A 159
ASP A 191
GLU A 192
ARG A 205
PRO A 203
 PLP  A 510 (-3.3A)
PLP  A 510 (-2.7A)
None
None
None
 1.28A 3lpsA-1v2dA:
undetectable		 3lpsA-1v2dA:
24.78
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 ASP A 453
ASP A 327
PRO A 333
ARG A 109
THR A 330
 None
 1.32A 3lpsA-1wacA:
undetectable		 3lpsA-1wacA:
21.95
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.
1we5 PUTATIVE FAMILY 31
GLUCOSIDASE YICI

(Escherichia
coli) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 SER A 431
ASP A 432
ASP A 429
ILE A 421
THR A 390
 None
 1.35A 3lpsA-1we5A:
undetectable		 3lpsA-1we5A:
19.71
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 ASN A  42
SER A  43
ASP A  45
ASP A  76
THR A 170
 MG  A1001 ( 2.6A)
ADP  A2001 ( 3.9A)
None
ADP  A2001 (-3.7A)
ADP  A2001 ( 3.9A)
 0.33A 3lpsA-1z5aA:
20.2		 3lpsA-1z5aA:
23.31
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		5 SER A  43
ASP A  45
ASP A  76
PRO A  82
THR A 170
 ADP  A2001 ( 3.9A)
None
ADP  A2001 (-3.7A)
None
ADP  A2001 ( 3.9A)
 0.73A 3lpsA-1z5aA:
20.2		 3lpsA-1z5aA:
23.31
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.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 GLU A 110
ASP A 150
ASP A 240
ILE A 146
THR A 108
 None
 1.40A 3lpsA-2dfuA:
undetectable		 3lpsA-2dfuA:
23.02
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.
2ery RAS-RELATED PROTEIN
R-RAS2

(Homo sapiens) 		PF00071
(Ras) 		5 ASP A 118
GLU A 119
MET A 122
PRO A 121
ILE A 111
 None
 1.46A 3lpsA-2eryA:
undetectable		 3lpsA-2eryA:
18.43
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.
2iop CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  38
ASP A  41
ASP A  80
MET A  85
THR A 174
 ADP  A1001 (-3.9A)
None
ADP  A1001 (-3.9A)
ADP  A1001 (-3.7A)
ADP  A1001 (-3.4A)
 0.71A 3lpsA-2iopA:
10.7		 3lpsA-2iopA:
21.81
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.
2muo SECRETED
LY-6/UPAR-RELATED
PROTEIN 1

(Homo sapiens) 		PF00021
(UPAR_LY6) 		5 SER A 153
ASP A 125
MET A 129
ILE A 169
ARG A 149
 None
 1.24A 3lpsA-2muoA:
undetectable		 3lpsA-2muoA:
12.31
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.
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo sapiens) 		PF00481
(PP2C) 		5 SER A 130
ASP A 204
ASP A 128
MET A 117
ILE A 113
 None
 1.28A 3lpsA-2p8eA:
undetectable		 3lpsA-2p8eA:
21.53
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.
2qby CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG 1

(Sulfolobus
solfataricus) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 ASP A 149
GLU A 147
ASP A 146
ASP A 254
THR A  70
 None
MG  A   6 ( 4.3A)
MG  A   6 (-4.0A)
None
MG  A   6 ( 3.2A)
 1.39A 3lpsA-2qbyA:
undetectable		 3lpsA-2qbyA:
23.55
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.
2x66 PRNB

(Pseudomonas
fluorescens) 		PF08933
(DUF1864) 		5 ASP A 203
GLU A 204
PRO A 135
ILE A 196
THR A 132
 None
None
None
HEM  A1359 ( 4.8A)
None
 1.43A 3lpsA-2x66A:
undetectable		 3lpsA-2x66A:
22.61
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.
2x75 ADENYLOSUCCINATE
LYASE

(Staphylococcus
aureus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 SER A 103
GLU A 176
ARG A 172
ASP A 116
ILE A  13
 None
 1.17A 3lpsA-2x75A:
undetectable		 3lpsA-2x75A:
25.16
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.
2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90

(Hordeum vulgare) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ADP  A1211 ( 2.6A)
ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
 0.32A 3lpsA-2xcmA:
11.9		 3lpsA-2xcmA:
20.73
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.
2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90

(Hordeum vulgare) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  40
ASP A  42
ASP A  81
ASP A 144
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
None
ADP  A1211 (-3.4A)
 1.19A 3lpsA-2xcmA:
11.9		 3lpsA-2xcmA:
20.73
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.
2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90

(Hordeum vulgare) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
ADP  A1211 (-3.4A)
 0.69A 3lpsA-2xcmA:
11.9		 3lpsA-2xcmA:
20.73
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.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 ASN B  42
SER B  43
ASP B  45
ASP B  76
THR B 170
 RDC  B 531 ( 4.1A)
RDC  B 531 (-3.2A)
None
RDC  B 531 (-2.9A)
RDC  B 531 (-2.5A)
 0.67A 3lpsA-2zbkB:
19.9		 3lpsA-2zbkB:
22.45
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.
2zfd CALCINEURIN B-LIKE
PROTEIN 2
PUTATIVE
UNCHARACTERIZED
PROTEIN T20L15_90

(Arabidopsis
thaliana) 		PF03822
(NAF)
PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 ASP A 166
GLU A 165
ASP A 161
ARG A 141
ILE B 315
 None
 1.15A 3lpsA-2zfdA:
undetectable		 3lpsA-2zfdA:
22.49
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.
3c7t ECDYSTEROID-PHOSPHAT
E PHOSPHATASE

(Bombyx mori) 		PF00300
(His_Phos_1) 		5 ASN A 191
GLU A 228
ARG A 236
MET A 230
ILE A 286
 None
 1.35A 3lpsA-3c7tA:
undetectable		 3lpsA-3c7tA:
20.95
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.
3fo8 TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF17481
(Phage_sheath_1N) 		5 GLU D 202
ASP D 312
MET D 205
ILE D 193
THR D 326
 None
 1.48A 3lpsA-3fo8D:
undetectable		 3lpsA-3fo8D:
23.68
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 GLU A 202
ASP A 312
MET A 205
ILE A 193
THR A 326
 None
 1.35A 3lpsA-3foaA:
undetectable		 3lpsA-3foaA:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		11 ASN A  42
SER A  43
ASP A  45
GLU A  46
ASP A  69
ARG A  72
MET A  74
PRO A  75
ILE A  90
ARG A 132
THR A 163
 1EU  A   2 (-4.9A)
1EU  A   2 (-3.0A)
None
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.4A)
1EU  A   2 (-4.2A)
1EU  A   2 (-4.5A)
1EU  A   2 (-3.9A)
1EU  A   2 (-3.7A)
 0.54A 3lpsA-3fv5A:
31.0		 3lpsA-3fv5A:
40.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fv5 DNA TOPOISOMERASE 4
SUBUNIT B

(Escherichia
coli) 		PF02518
(HATPase_c) 		9 SER A  43
GLU A  46
ASP A  69
ARG A  72
MET A  74
PRO A  75
ASP A  77
ARG A 132
THR A 163
 1EU  A   2 (-3.0A)
1EU  A   2 (-3.4A)
1EU  A   2 (-3.3A)
1EU  A   2 (-3.3A)
1EU  A   2 (-4.4A)
1EU  A   2 (-4.2A)
None
1EU  A   2 (-3.9A)
1EU  A   2 (-3.7A)
 1.01A 3lpsA-3fv5A:
31.0		 3lpsA-3fv5A:
40.35
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.
3h4l DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ASN A  65
SER A  66
ASP A  68
ASP A  90
THR A 174
 ANP  A 397 ( 2.6A)
ANP  A 397 ( 4.0A)
None
ANP  A 397 (-3.6A)
ANP  A 397 (-3.7A)
 0.30A 3lpsA-3h4lA:
16.8		 3lpsA-3h4lA:
21.61
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 GLU U 202
ASP U 312
MET U 205
ILE U 193
THR U 326
 None
 1.35A 3lpsA-3j2nU:
undetectable		 3lpsA-3j2nU:
21.10
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASN A 465
ASP A 468
GLU A 469
ARG A 357
ASP A 448
 None
 1.28A 3lpsA-3jysA:
undetectable		 3lpsA-3jysA:
21.75
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 ASP A 143
GLU A 147
ARG A 108
ARG A 112
THR A 150
 None
 1.49A 3lpsA-3lscA:
undetectable		 3lpsA-3lscA:
22.75
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.
3ly1 PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Pectobacterium
atrosepticum) 		PF00155
(Aminotran_1_2) 		5 ASN A 309
SER A 312
ASP A 310
ASP A 298
ILE A 254
 None
 1.42A 3lpsA-3ly1A:
undetectable		 3lpsA-3ly1A:
23.49
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.
3o6o HEAT SHOCK PROTEIN
83

(Trypanosoma
brucei) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  36
SER A  37
ASP A  39
ASP A  78
THR A 169
 94M  A 214 (-4.1A)
94M  A 214 (-3.6A)
None
94M  A 214 (-3.4A)
94M  A 214 (-3.8A)
 0.29A 3lpsA-3o6oA:
11.4		 3lpsA-3o6oA:
21.30
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.
3o6o HEAT SHOCK PROTEIN
83

(Trypanosoma
brucei) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  37
ASP A  39
ASP A  78
MET A  83
THR A 169
 94M  A 214 (-3.6A)
None
94M  A 214 (-3.4A)
94M  A 214 (-3.4A)
94M  A 214 (-3.8A)
 0.61A 3lpsA-3o6oA:
11.4		 3lpsA-3o6oA:
21.30
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.
3p09 BETA-LACTAMASE

(Francisella
tularensis) 		PF13354
(Beta-lactamase2) 		5 ASP A 281
MET A 217
PRO A 218
ASP A 220
ILE A 242
 None
 1.40A 3lpsA-3p09A:
undetectable		 3lpsA-3p09A:
21.85
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.
3qty PHOSPHORIBOSYLAMINOI
MIDAZOLE (AIR)
SYNTHETASE

(Francisella
tularensis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ASP A 112
GLU A 144
PRO A 116
ILE A 118
THR A 142
 None
None
None
None
POP  A 404 ( 4.3A)
 1.37A 3lpsA-3qtyA:
undetectable		 3lpsA-3qtyA:
22.40
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.
3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  51
SER A  52
ASP A  54
ASP A  93
THR A 184
 06J  A   1 (-4.1A)
06J  A   1 ( 3.7A)
None
06J  A   1 (-3.5A)
06J  A   1 (-3.7A)
 0.34A 3lpsA-3r92A:
11.6		 3lpsA-3r92A:
19.71
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.
3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  52
ASP A  54
ASP A  93
ASP A 156
THR A 184
 06J  A   1 ( 3.7A)
None
06J  A   1 (-3.5A)
None
06J  A   1 (-3.7A)
 1.20A 3lpsA-3r92A:
11.6		 3lpsA-3r92A:
19.71
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.
3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  52
ASP A  54
ASP A  93
MET A  98
THR A 184
 06J  A   1 ( 3.7A)
None
06J  A   1 (-3.5A)
06J  A   1 (-3.7A)
06J  A   1 (-3.7A)
 0.67A 3lpsA-3r92A:
11.6		 3lpsA-3r92A:
19.71
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 5 SER A 239
ASP A 242
ARG A 219
ASP A 275
THR A 248
 None
None
None
MG  A 501 ( 2.8A)
None
 1.43A 3lpsA-3ssmA:
undetectable		 3lpsA-3ssmA:
26.67
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.
3tsr RIBONUCLEASE
INHIBITOR
RIBONUCLEASE
PANCREATIC

(Mus musculus) 		PF00074
(RnaseA)
PF13516
(LRR_6) 		5 ASN E 402
SER E 401
ASP E 374
ASP E 399
ASP A  97
 None
 1.38A 3lpsA-3tsrE:
undetectable		 3lpsA-3tsrE:
22.24
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.
3u2k DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		11 ASN A  54
SER A  55
ASP A  57
GLU A  58
ASP A  81
ARG A  84
PRO A  87
ASP A  89
ILE A 102
ARG A 144
THR A 173
 087  A   1 (-3.9A)
087  A   1 (-3.3A)
MG  A 234 ( 4.8A)
087  A   1 (-3.4A)
087  A   1 (-3.5A)
087  A   1 (-3.8A)
087  A   1 (-4.3A)
None
None
087  A   1 (-2.5A)
087  A   1 ( 3.8A)
 0.57A 3lpsA-3u2kA:
26.4		 3lpsA-3u2kA:
26.20
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.
3u67 HEAT SHOCK PROTEIN
83-1

(Leishmania
major) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  36
ASP A  39
ASP A  78
MET A  83
THR A 169
 MG  A 215 ( 2.5A)
None
ADP  A 214 (-3.6A)
ADP  A 214 (-3.5A)
ADP  A 214 (-3.6A)
 0.79A 3lpsA-3u67A:
11.7		 3lpsA-3u67A:
21.90
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.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 ASN A 221
SER A 525
GLU A 526
ASP A 217
PRO A 330
 None
None
TCG  A 601 (-2.7A)
None
None
 1.46A 3lpsA-3vtrA:
undetectable		 3lpsA-3vtrA:
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ASN A  52
ASP A  55
GLU A  56
ARG A  82
ASP A 142
 ANP  A 601 ( 2.6A)
None
ANP  A 601 (-3.9A)
None
None
 1.46A 3lpsA-3zkbA:
38.6		 3lpsA-3zkbA:
34.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		6 ASN A  52
ASP A  55
GLU A  56
ASP A  79
ARG A  82
PRO A  85
 ANP  A 601 ( 2.6A)
None
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
None
 0.39A 3lpsA-3zkbA:
38.6		 3lpsA-3zkbA:
34.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		6 ASN A  52
ASP A  55
GLU A  56
ASP A  79
PRO A  85
ARG A 141
 ANP  A 601 ( 2.6A)
None
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
None
 0.46A 3lpsA-3zkbA:
38.6		 3lpsA-3zkbA:
34.67
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.
4b6c DNA GYRASE SUBUNIT B

(Mycolicibacterium
smegmatis) 		PF02518
(HATPase_c) 		8 ASN A  52
ASP A  55
GLU A  56
ASP A  79
ARG A  82
PRO A  85
ARG A 141
THR A 169
 B5U  A1256 (-3.2A)
None
B5U  A1256 (-3.6A)
B5U  A1256 (-3.5A)
B5U  A1256 (-3.4A)
B5U  A1256 (-4.2A)
B5U  A1256 ( 4.4A)
B5U  A1256 (-3.6A)
 0.35A 3lpsA-4b6cA:
23.9		 3lpsA-4b6cA:
25.39
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.
4dz6 NUCLEOSIDE
DIPHOSPHATE KINASE

(Borreliella
burgdorferi) 		PF00334
(NDK) 		5 ASP A  45
PRO A  14
ASP A  15
ILE A  11
ARG A  18
 None
 1.19A 3lpsA-4dz6A:
undetectable		 3lpsA-4dz6A:
19.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4em7 DNA TOPOISOMERASE
IV, B SUBUNIT

(Streptococcus
pneumoniae) 		PF02518
(HATPase_c) 		9 ASN A  51
ASP A  54
GLU A  55
ASP A  78
ARG A  81
MET A  83
PRO A  84
ILE A  98
THR A 172
 0RA  A 301 (-4.7A)
None
0RA  A 301 (-3.4A)
0RA  A 301 (-3.6A)
0RA  A 301 ( 3.8A)
0RA  A 301 ( 4.4A)
0RA  A 301 ( 4.8A)
None
0RA  A 301 ( 3.9A)
 0.52A 3lpsA-4em7A:
29.0		 3lpsA-4em7A:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4em7 DNA TOPOISOMERASE
IV, B SUBUNIT

(Streptococcus
pneumoniae) 		PF02518
(HATPase_c) 		8 ASN A  51
GLU A  55
ASP A  78
ARG A  81
MET A  83
ILE A  98
ARG A 140
THR A 172
 0RA  A 301 (-4.7A)
0RA  A 301 (-3.4A)
0RA  A 301 (-3.6A)
0RA  A 301 ( 3.8A)
0RA  A 301 ( 4.4A)
None
0RA  A 301 (-2.5A)
0RA  A 301 ( 3.9A)
 0.51A 3lpsA-4em7A:
29.0		 3lpsA-4em7A:
31.23
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.
4gqt HEAT SHOCK PROTEIN
90

(Caenorhabditis
elegans) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  39
ASP A  42
ASP A  81
MET A  86
THR A 172
 ZN  A 501 ( 2.5A)
None
ADP  A 500 (-3.7A)
ADP  A 500 (-3.4A)
ADP  A 500 (-3.7A)
 0.83A 3lpsA-4gqtA:
12.1		 3lpsA-4gqtA:
20.49
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.
4hxw DNA GYRASE SUBUNIT B

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		8 ASN A  55
SER A  56
ASP A  58
GLU A  59
ASP A  82
ARG A  85
PRO A  88
THR A 174
 1A0  A 301 (-3.8A)
1A0  A 301 (-3.3A)
None
1A0  A 301 (-3.2A)
1A0  A 301 (-3.4A)
1A0  A 301 (-3.5A)
1A0  A 301 (-4.2A)
1A0  A 301 (-3.6A)
 0.48A 3lpsA-4hxwA:
27.9		 3lpsA-4hxwA:
27.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  41
SER A  42
ASP A  44
GLU A  45
ASP A  68
MET A  73
ILE A  89
ARG A 131
THR A 162
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.1A)
None
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.70A 3lpsA-4hymA:
41.4		 3lpsA-4hymA:
48.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
MET A  73
ILE A  89
ARG A 131
THR A 162
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
CJC  A 401 (-3.3A)
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.40A 3lpsA-4hymA:
41.4		 3lpsA-4hymA:
48.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
MET A  73
PRO A  74
ARG A 131
THR A 162
 CJC  A 401 (-4.0A)
CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.7A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.55A 3lpsA-4hymA:
41.4		 3lpsA-4hymA:
48.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 SER A  42
ASP A  44
GLU A  45
ASP A  68
ASP A  76
ARG A 131
THR A 162
 CJC  A 401 (-3.1A)
None
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
None
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 1.01A 3lpsA-4hymA:
41.4		 3lpsA-4hymA:
48.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		8 SER A  42
GLU A  45
ASP A  68
ARG A  71
PRO A  74
ASP A  76
ARG A 131
THR A 162
 CJC  A 401 (-3.1A)
CJC  A 401 (-3.3A)
CJC  A 401 (-3.3A)
CJC  A 401 ( 4.0A)
CJC  A 401 ( 4.7A)
None
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 1.03A 3lpsA-4hymA:
41.4		 3lpsA-4hymA:
48.43
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.
4hz5 DNA TOPOISOMERASE
IV, B SUBUNIT

(Enterococcus
faecalis) 		PF02518
(HATPase_c) 		10 ASN A  49
ASP A  52
GLU A  53
ASP A  76
ARG A  79
MET A  81
PRO A  82
ILE A  96
ARG A 138
THR A 169
 19Y  A 301 (-3.8A)
None
19Y  A 301 (-3.3A)
19Y  A 301 (-3.3A)
19Y  A 301 (-4.0A)
19Y  A 301 (-3.7A)
19Y  A 301 (-4.0A)
19Y  A 301 ( 4.7A)
19Y  A 301 ( 4.8A)
19Y  A 301 (-3.7A)
 0.71A 3lpsA-4hz5A:
27.9		 3lpsA-4hz5A:
29.55
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.
4ja0 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bombyx mori) 		PF00731
(AIRC)
PF01259
(SAICAR_synt) 		5 SER A 144
GLU A 145
ARG A 169
ILE A 160
THR A 131
 SO4  A 502 (-4.6A)
SO4  A 502 (-4.3A)
None
None
None
 1.29A 3lpsA-4ja0A:
undetectable		 3lpsA-4ja0A:
23.81
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.
4ogc HNH ENDONUCLEASE
DOMAIN PROTEIN

(Actinomyces
naeslundii) 		PF01844
(HNH) 		5 MET A 366
ASP A 360
ILE A 390
ARG A 367
THR A 369
 None
 1.37A 3lpsA-4ogcA:
undetectable		 3lpsA-4ogcA:
17.78
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.
4pbo C-REACTIVE PROTEIN

(Danio rerio) 		PF00354
(Pentaxin) 		5 SER A 142
ASP A 141
ASP A 148
ASP A  69
ARG A  68
 None
 1.40A 3lpsA-4pboA:
undetectable		 3lpsA-4pboA:
19.22
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.
4r39 BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13581
(HATPase_c_2) 		6 ASN A 250
ASP A 282
ARG A 285
PRO A 288
ASP A 290
THR A 324
 MG  A 401 ( 2.4A)
ANP  A 402 (-2.7A)
None
ANP  A 402 ( 4.4A)
None
ANP  A 402 (-3.6A)
 1.30A 3lpsA-4r39A:
3.6		 3lpsA-4r39A:
20.39
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		5 ASN A 250
ASP A 282
PRO A 288
ASP A 290
THR A 324
 MG  A 400 ( 2.5A)
ANP  A 401 (-3.3A)
ANP  A 401 ( 4.7A)
None
ANP  A 401 ( 4.1A)
 1.05A 3lpsA-4r3aA:
5.0		 3lpsA-4r3aA:
22.90
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.
4raf PROTEIN PHOSPHATASE
1A

(Homo sapiens) 		PF00481
(PP2C)
PF07830
(PP2C_C) 		5 SER A 125
ASP A 199
ASP A 123
MET A 112
ILE A 108
 None
 1.10A 3lpsA-4rafA:
undetectable		 3lpsA-4rafA:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		10 ASN A  49
SER A  50
ASP A  52
GLU A  53
ASP A  76
ARG A  79
MET A  81
ILE A  96
ARG A 138
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.4A)
None
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
XAM  A2000 (-4.3A)
None
None
XAM  A2000 (-3.6A)
 0.67A 3lpsA-4urlA:
39.8		 3lpsA-4urlA:
35.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4url DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		10 ASN A  49
SER A  50
ASP A  52
GLU A  53
ASP A  76
ARG A  79
MET A  81
PRO A  82
ILE A  96
THR A 168
 XAM  A2000 (-3.9A)
XAM  A2000 (-3.4A)
None
XAM  A2000 (-3.1A)
XAM  A2000 (-3.6A)
XAM  A2000 (-3.7A)
XAM  A2000 (-4.3A)
XAM  A2000 (-4.8A)
None
XAM  A2000 (-3.6A)
 0.53A 3lpsA-4urlA:
39.8		 3lpsA-4urlA:
35.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		10 ASN A  54
SER A  55
ASP A  57
GLU A  58
ASP A  81
ARG A  84
PRO A  87
ILE A 102
ARG A 144
THR A 173
 XAM  A2000 (-3.7A)
XAM  A2000 (-3.3A)
None
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 ( 4.9A)
XAM  A2000 (-4.5A)
None
XAM  A2000 (-3.8A)
 0.64A 3lpsA-4urmA:
27.6		 3lpsA-4urmA:
30.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urm DNA GYRASE SUBUNIT B

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		8 SER A  55
ASP A  57
GLU A  58
ASP A  81
ARG A  84
PRO A  87
ASP A  89
THR A 173
 XAM  A2000 (-3.3A)
None
XAM  A2000 (-2.6A)
XAM  A2000 (-3.4A)
XAM  A2000 (-3.6A)
XAM  A2000 ( 4.9A)
None
XAM  A2000 (-3.8A)
 1.01A 3lpsA-4urmA:
27.6		 3lpsA-4urmA:
30.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4urn DNA TOPOISOMERASE
IV, B SUBUNIT

(Staphylococcus
aureus) 		PF02518
(HATPase_c) 		11 ASN A  49
SER A  50
ASP A  52
GLU A  53
ASP A  76
ARG A  79
MET A  81
PRO A  82
ILE A  96
ARG A 138
THR A 168
 NOV  A2000 (-3.8A)
NOV  A2000 ( 3.7A)
NOV  A2000 (-4.6A)
NOV  A2000 (-3.4A)
NOV  A2000 (-3.5A)
NOV  A2000 (-3.2A)
NOV  A2000 (-3.8A)
NOV  A2000 (-4.1A)
NOV  A2000 (-4.2A)
NOV  A2000 (-2.9A)
NOV  A2000 (-3.9A)
 0.69A 3lpsA-4urnA:
27.9		 3lpsA-4urnA:
30.05
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.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASN A  39
SER A  40
ASP A  42
ASP A  81
THR A 173
 ACP  A 301 (-2.7A)
ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.8A)
 0.42A 3lpsA-4x9lA:
12.4		 3lpsA-4x9lA:
25.06
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.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  40
ASP A  42
ASP A  81
ASP A 144
THR A 173
 ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
None
ACP  A 301 (-3.8A)
 1.15A 3lpsA-4x9lA:
12.4		 3lpsA-4x9lA:
25.06
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.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A  40
ASP A  42
ASP A  81
MET A  86
THR A 173
 ACP  A 301 ( 3.7A)
None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.4A)
ACP  A 301 (-3.8A)
 0.80A 3lpsA-4x9lA:
12.4		 3lpsA-4x9lA:
25.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zvi DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		9 ASN A  46
ASP A  49
GLU A  50
ASP A  73
ARG A  76
PRO A  79
ILE A  94
ARG A 136
THR A 165
 4S4  A 401 (-4.3A)
None
4S4  A 401 (-3.1A)
4S4  A 401 (-3.4A)
4S4  A 401 (-2.8A)
4S4  A 401 (-4.5A)
None
None
4S4  A 401 ( 3.8A)
 0.64A 3lpsA-4zviA:
39.6		 3lpsA-4zviA:
38.90
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.
5aby 4E-BINDING PROTEIN
MEXTLI
EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-3

(Caenorhabditis
elegans) 		PF01652
(IF4E)
no annotation 		5 SER A  59
GLU B 496
ARG B 499
PRO B 502
ILE B 504
 None
 1.39A 3lpsA-5abyA:
undetectable		 3lpsA-5abyA:
20.30
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.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 SER A 246
GLU A 245
ASP A 322
ARG A 122
ILE A  40
 None
PO4  A 401 ( 4.3A)
None
None
None
 1.25A 3lpsA-5b04A:
undetectable		 3lpsA-5b04A:
23.20
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 SER A 873
ASP A 875
ASP A 871
PRO A 994
ILE A 990
 None
 1.34A 3lpsA-5d0fA:
undetectable		 3lpsA-5d0fA:
13.92
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 ASP A 182
GLU A 146
ARG A 381
ILE A 193
THR A 147
 None
 1.50A 3lpsA-5do7A:
undetectable		 3lpsA-5do7A:
20.62
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.
5hoe HYDROLASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		5 ASN A  96
ASP A  97
ASP A  64
MET A 155
ILE A 196
 PO4  A 301 (-3.0A)
None
None
None
PO4  A 301 (-4.6A)
 1.30A 3lpsA-5hoeA:
undetectable		 3lpsA-5hoeA:
21.38
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.
5idm CELL CYCLE HISTIDINE
KINASE CCKA

(Caulobacter
vibrioides) 		PF02518
(HATPase_c) 		6 ASN A 434
ASP A 437
ASP A 479
PRO A 485
ASP A 487
ILE A 492
 MG  A 602 ( 2.6A)
None
ANP  A 601 (-3.5A)
None
None
ANP  A 601 ( 4.0A)
 1.11A 3lpsA-5idmA:
6.0		 3lpsA-5idmA:
21.37
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.
5ix1 MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
3

(Mus musculus) 		PF07496
(zf-CW)
PF13589
(HATPase_c_3) 		5 ASN A  39
ASP A  42
ASP A  67
ASP A  75
THR A 194
 MG  A 503 ( 2.4A)
None
ANP  A 502 (-3.6A)
None
ANP  A 502 (-3.9A)
 1.04A 3lpsA-5ix1A:
11.9		 3lpsA-5ix1A:
23.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j5p DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		10 ASN A  51
ASP A  54
GLU A  55
ASP A  78
ARG A  81
MET A  83
PRO A  84
ILE A  98
ARG A 140
THR A 172
 MG  A 503 ( 2.5A)
None
ANP  A 501 (-3.2A)
ANP  A 501 (-2.6A)
None
ANP  A 501 (-4.7A)
None
ANP  A 501 ( 3.4A)
None
ANP  A 501 (-3.5A)
 0.58A 3lpsA-5j5pA:
39.0		 3lpsA-5j5pA:
36.12
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.
5kuc PESTICIDAL CRYSTAL
PROTEIN CRY6AA

(Bacillus
thuringiensis) 		no annotation 5 ASN A  21
SER A  22
ASP A  30
ASP A 379
THR A  32
 None
 1.30A 3lpsA-5kucA:
undetectable		 3lpsA-5kucA:
20.04
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 ASN B  39
ASP B  42
ASP B  68
MET B  73
THR B 197
 MG  B 703 ( 2.7A)
None
ATP  B 702 (-3.4A)
ATP  B 702 (-3.6A)
ATP  B 702 (-3.7A)
 0.92A 3lpsA-5ofbB:
10.8		 3lpsA-5ofbB:
15.75
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.
5x9y DNA MISMATCH REPAIR
PROTEIN MUTL

(Aquifex
aeolicus) 		no annotation 5 ASN C  26
SER C  27
ASP C  29
ASP C  51
THR C 135
 None
 0.73A 3lpsA-5x9yC:
16.7		 3lpsA-5x9yC:
25.23
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.
6chs PUTATIVE CELL
DIVISION CONTROL
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 ASN H 367
SER H 368
ASP H 323
PRO H 262
THR H 363
 None
 1.24A 3lpsA-6chsH:
undetectable		 3lpsA-6chsH:
11.52
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.
6cn7 AEROBACTIN SYNTHASE
IUCC

(Klebsiella
pneumoniae) 		no annotation 5 GLU A 394
ASP A 392
ARG A 505
ASP A 516
THR A 395
 None
 1.41A 3lpsA-6cn7A:
undetectable		 3lpsA-6cn7A:
12.87
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2
TARGET OF RAPAMYCIN
COMPLEX 2 SUBUNIT
AVO1

(Saccharomyces
cerevisiae) 		no annotation 5 ASN I 735
SER I 734
ASP I 732
ASP A2215
ILE I 680
 None
 1.38A 3lpsA-6emkI:
undetectable		 3lpsA-6emkI:
12.79
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 5 SER A 487
ARG A 502
PRO A 444
ASP A 446
THR A 455
 None
 1.46A 3lpsA-6f91A:
undetectable		 3lpsA-6f91A:
11.81