SIMILAR PATTERNS OF AMINO ACIDS FOR 1S14_A_NOVA1300

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 1s14A-1aj6A:
23.3		 1s14A-1aj6A:
39.19
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.
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
 1.15A 1s14A-1b3qA:
2.8		 1s14A-1b3qA:
20.65
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.
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 1s14A-1b63A:
14.4		 1s14A-1b63A:
21.82
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.
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)
 0.58A 1s14A-1ea6A:
15.1		 1s14A-1ea6A:
20.11
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.
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)
 0.38A 1s14A-1kijA:
24.0		 1s14A-1kijA:
27.82
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.
1n2o PANTOTHENATE
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF02569
(Pantoate_ligase) 		5 SER A  15
ASP A  19
PRO A 111
ASP A 112
THR A 105
 None
 1.47A 1s14A-1n2oA:
undetectable		 1s14A-1n2oA:
20.83
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLU A 372
MET A 362
PRO A 361
ILE A  31
ARG A 354
 None
FMN  A1730 ( 4.3A)
None
None
None
 1.50A 1s14A-1o94A:
undetectable		 1s14A-1o94A:
14.54
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)
 0.41A 1s14A-1s16A:
28.9		 1s14A-1s16A:
89.40
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
ASP A1069
ILE A1116
THR A1163
 None
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
ANP  A1500 (-4.1A)
ANP  A1500 (-3.7A)
 1.18A 1s14A-1s16A:
28.9		 1s14A-1s16A:
89.40
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.
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
 1.27A 1s14A-1t6sA:
undetectable		 1s14A-1t6sA:
24.39
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.
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
 1.24A 1s14A-1v2dA:
undetectable		 1s14A-1v2dA:
19.26
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.
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 1s14A-1we5A:
undetectable		 1s14A-1we5A:
14.10
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.
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)
 0.36A 1s14A-1z5aA:
15.4		 1s14A-1z5aA:
17.61
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.
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
 1.42A 1s14A-2eryA:
undetectable		 1s14A-2eryA:
21.23
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.
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)
 0.82A 1s14A-2iopA:
10.1		 1s14A-2iopA:
16.26
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.
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
 1.20A 1s14A-2muoA:
undetectable		 1s14A-2muoA:
14.74
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.
2o49 DNA-BINDING PROTEIN
SATB1

(Homo sapiens) 		PF02376
(CUT) 		5 ASP A 381
GLU A 382
ARG A 440
MET A 429
ILE A 375
 None
 1.18A 1s14A-2o49A:
undetectable		 1s14A-2o49A:
22.07
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.
2pq0 HYPOTHETICAL
CONSERVED PROTEIN
GK1056

(Geobacillus
kaustophilus) 		PF08282
(Hydrolase_3) 		5 SER A 112
ASP A 134
ILE A 143
ARG A  88
THR A  91
 None
 1.45A 1s14A-2pq0A:
undetectable		 1s14A-2pq0A:
24.51
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.
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)
 1.25A 1s14A-2qbyA:
undetectable		 1s14A-2qbyA:
19.33
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.
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
 1.11A 1s14A-2x75A:
undetectable		 1s14A-2x75A:
21.70
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.
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)
 0.36A 1s14A-2xcmA:
10.1		 1s14A-2xcmA:
22.77
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.
2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90

(Hordeum vulgare) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		6 SER A  40
ASP A  42
ASP A  81
MET A  86
ASP A 144
THR A 173
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
None
ADP  A1211 (-3.4A)
 1.26A 1s14A-2xcmA:
10.1		 1s14A-2xcmA:
22.77
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.
2y9y IMITATION SWITCH
PROTEIN 1
(DEL_ATPASE)

(Saccharomyces
cerevisiae) 		PF09110
(HAND)
PF09111
(SLIDE) 		5 SER A 881
ASP A 878
GLU A 882
PRO A 812
ARG A 936
 None
 1.48A 1s14A-2y9yA:
undetectable		 1s14A-2y9yA:
18.72
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)
 0.69A 1s14A-2zbkB:
15.0		 1s14A-2zbkB:
16.85
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.
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
 1.16A 1s14A-2zfdA:
undetectable		 1s14A-2zfdA:
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.
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
 1.33A 1s14A-3c7tA:
undetectable		 1s14A-3c7tA:
22.64
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.
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
 1.38A 1s14A-3fo8D:
undetectable		 1s14A-3fo8D:
17.92
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.
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
 1.25A 1s14A-3foaA:
undetectable		 1s14A-3foaA:
17.33
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)
 0.38A 1s14A-3fv5A:
29.5		 1s14A-3fv5A:
88.56
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
GLU A  46
ASP A  69
ARG A  72
MET A  74
PRO A  75
ASP A  77
ILE A  90
ARG A 132
THR A 163
 1EU  A   2 (-4.9A)
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 (-4.5A)
1EU  A   2 (-3.9A)
1EU  A   2 (-3.7A)
 0.72A 1s14A-3fv5A:
29.5		 1s14A-3fv5A:
88.56
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.
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)
 0.37A 1s14A-3h4lA:
15.4		 1s14A-3h4lA:
19.95
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.
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
 1.25A 1s14A-3j2nU:
undetectable		 1s14A-3j2nU:
14.40
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.
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
 1.23A 1s14A-3jysA:
undetectable		 1s14A-3jysA:
17.17
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.
3k60 HEAT SHOCK PROTEIN
86

(Plasmodium
falciparum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASP A  40
ASP A  79
MET A  84
ASP A 142
THR A 171
 None
ADP  A 400 (-3.6A)
ADP  A 400 (-3.6A)
None
ADP  A 400 (-3.7A)
 1.30A 1s14A-3k60A:
12.3		 1s14A-3k60A:
23.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lps TOPOISOMERASE IV
SUBUNIT B

(Xanthomonas
oryzae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		12 ASN A  86
SER A  87
ASP A  89
GLU A  90
ASP A 113
ARG A 116
MET A 118
PRO A 119
ASP A 121
ILE A 134
ARG A 176
THR A 207
 NOV  A 901 (-4.0A)
NOV  A 901 (-3.3A)
NOV  A 901 ( 4.8A)
NOV  A 901 (-3.8A)
NOV  A 901 (-3.5A)
NOV  A 901 (-3.4A)
NOV  A 901 (-3.7A)
NOV  A 901 (-4.5A)
NOV  A 901 (-2.6A)
NOV  A 901 ( 4.9A)
NOV  A 901 (-2.5A)
NOV  A 901 ( 4.2A)
 0.46A 1s14A-3lpsA:
27.5		 1s14A-3lpsA:
41.04
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.
3lvr ARF-GAP WITH SH3
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3,
ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens;
synthetic
construct) 		PF00025
(Arf)
PF01412
(ArfGap)
PF12796
(Ank_2) 		5 GLU E 102
ARG E 105
PRO E  72
ILE E  70
ARG E  75
 None
 1.39A 1s14A-3lvrE:
undetectable		 1s14A-3lvrE:
17.17
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
 1.46A 1s14A-3ly1A:
undetectable		 1s14A-3ly1A:
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.
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)
 0.31A 1s14A-3o6oA:
10.0		 1s14A-3o6oA:
24.00
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.
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)
 0.68A 1s14A-3o6oA:
10.0		 1s14A-3o6oA:
24.00
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.
3peh ENDOPLASMIN HOMOLOG

(Plasmodium
falciparum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASP A 109
ASP A 148
MET A 153
ASP A 212
THR A 241
 None
IBD  A1001 (-3.4A)
IBD  A1001 (-3.8A)
None
IBD  A1001 (-3.6A)
 1.35A 1s14A-3pehA:
10.5		 1s14A-3pehA:
23.08
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.
3pr2 TRYPTOPHAN SYNTHASE
ALPHA CHAIN
TRYPTOPHAN SYNTHASE
BETA CHAIN

(Salmonella
enterica) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		5 SER A 235
PRO A  57
ASP A  56
ARG B 175
THR A 183
 F9F  A   1 (-2.5A)
None
None
None
F9F  A   1 (-3.9A)
 1.39A 1s14A-3pr2A:
undetectable		 1s14A-3pr2A:
20.74
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.
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)
 0.38A 1s14A-3r92A:
10.2		 1s14A-3r92A:
23.08
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.
3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		6 SER A  52
ASP A  54
ASP A  93
MET A  98
ASP A 156
THR A 184
 06J  A   1 ( 3.7A)
None
06J  A   1 (-3.5A)
06J  A   1 (-3.7A)
None
06J  A   1 (-3.7A)
 1.34A 1s14A-3r92A:
10.2		 1s14A-3r92A:
23.08
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.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		5 SER A 242
ASP A  82
ASP A 240
ARG A 228
THR A 224
 None
 1.49A 1s14A-3tavA:
undetectable		 1s14A-3tavA:
24.41
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.
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
 1.37A 1s14A-3tsrE:
undetectable		 1s14A-3tsrE:
15.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.53A 1s14A-3u2kA:
25.5		 1s14A-3u2kA:
43.28
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)
 0.86A 1s14A-3u67A:
10.3		 1s14A-3u67A:
21.58
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.
3wuc GALECTIN

(Xenopus laevis) 		PF00337
(Gal-bind_lectin) 		5 SER A 131
MET A  89
PRO A 103
ASP A 104
ILE A  91
 None
 1.44A 1s14A-3wucA:
undetectable		 1s14A-3wucA:
23.30
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.
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
 1.16A 1s14A-3zkbA:
24.1		 1s14A-3zkbA:
25.55
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.
3zkb DNA GYRASE SUBUNIT B

(Mycobacterium
tuberculosis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		7 ASN A  52
ASP A  55
GLU A  56
ASP A  79
ARG A  82
PRO A  85
ARG A 141
 ANP  A 601 ( 2.6A)
None
ANP  A 601 (-3.9A)
ANP  A 601 (-3.7A)
None
None
None
 0.50A 1s14A-3zkbA:
24.1		 1s14A-3zkbA:
25.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b6c DNA GYRASE SUBUNIT B

(Mycolicibacterium
smegmatis) 		PF02518
(HATPase_c) 		5 ASN A  52
ASP A  55
GLU A  56
ARG A  82
ASP A 142
 B5U  A1256 (-3.2A)
None
B5U  A1256 (-3.6A)
B5U  A1256 (-3.4A)
None
 1.46A 1s14A-4b6cA:
25.8		 1s14A-4b6cA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.43A 1s14A-4b6cA:
25.8		 1s14A-4b6cA:
43.35
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
ILE A  98
ARG A 140
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)
None
0RA  A 301 (-2.5A)
0RA  A 301 ( 3.9A)
 0.45A 1s14A-4em7A:
26.1		 1s14A-4em7A:
39.65
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)
 0.53A 1s14A-4em7A:
26.1		 1s14A-4em7A:
39.65
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN

(Idiomarina
loihiensis) 		PF05299
(Peptidase_M61)
PF13180
(PDZ_2) 		5 ASN A 108
ARG A 240
MET A 142
PRO A 143
THR A 140
 None
 1.41A 1s14A-4fgmA:
3.3		 1s14A-4fgmA:
12.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.51A 1s14A-4hxwA:
25.8		 1s14A-4hxwA:
39.61
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.
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
ASP A  76
ILE A  89
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)
None
CJC  A 401 (-4.6A)
CJC  A 401 (-3.6A)
 0.88A 1s14A-4hymA:
27.0		 1s14A-4hymA:
29.24
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		10 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
MET A  73
ASP A  76
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)
None
CJC  A 401 (-4.6A)
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.61A 1s14A-4hymA:
27.0		 1s14A-4hymA:
29.24
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		10 ASN A  41
SER A  42
GLU A  45
ASP A  68
ARG A  71
MET A  73
PRO A  74
ASP A  76
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)
None
CJC  A 401 (-4.2A)
CJC  A 401 (-3.6A)
 0.78A 1s14A-4hymA:
27.0		 1s14A-4hymA:
29.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.70A 1s14A-4hz5A:
25.3		 1s14A-4hz5A:
39.46
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.
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
 1.33A 1s14A-4ja0A:
undetectable		 1s14A-4ja0A:
19.52
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.
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 1s14A-4pboA:
undetectable		 1s14A-4pboA:
21.82
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.
4pf1 PEPTIDASE
S15/COCE/NOND

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ASN A 237
ASP A 582
ARG A 533
PRO A 260
ASP A 263
 None
 1.32A 1s14A-4pf1A:
undetectable		 1s14A-4pf1A:
15.59
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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		5 ASN A 303
SER A 377
ASP A 201
ARG A 292
THR A 198
 GLC  A 501 (-3.9A)
None
None
None
None
 1.34A 1s14A-4r2bA:
undetectable		 1s14A-4r2bA:
18.02
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.
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 1s14A-4rafA:
undetectable		 1s14A-4rafA:
18.46
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.
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)
 0.63A 1s14A-4urlA:
24.7		 1s14A-4urlA:
24.06
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.
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)
 0.56A 1s14A-4urlA:
24.7		 1s14A-4urlA:
24.06
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
ASP A  89
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)
None
None
XAM  A2000 (-3.8A)
 0.81A 1s14A-4urmA:
25.3		 1s14A-4urmA:
37.34
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)
 0.60A 1s14A-4urmA:
25.3		 1s14A-4urmA:
37.34
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)
 0.79A 1s14A-4urnA:
24.9		 1s14A-4urnA:
38.33
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.
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)
 0.44A 1s14A-4x9lA:
10.5		 1s14A-4x9lA:
21.71
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.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASP A  42
ASP A  81
MET A  86
ASP A 144
THR A 173
 None
ACP  A 301 (-3.9A)
ACP  A 301 (-3.4A)
None
ACP  A 301 (-3.8A)
 1.35A 1s14A-4x9lA:
10.5		 1s14A-4x9lA:
21.71
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.
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)
 0.96A 1s14A-4x9lA:
10.5		 1s14A-4x9lA:
21.71
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.
4xko HEAT SHOCK COGNATE
90 KDA PROTEIN

(Dictyostelium
discoideum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASP A  43
ASP A  82
MET A  87
ASP A 146
THR A 174
 None
None
PEG  A 301 ( 4.5A)
None
PEG  A 301 ( 4.9A)
 1.33A 1s14A-4xkoA:
10.4		 1s14A-4xkoA:
20.70
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.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ASP B 158
MET B 445
ASP B 433
ILE B 442
THR B 154
 None
None
FAD  B 503 (-2.8A)
SF4  B 502 ( 4.2A)
None
 1.30A 1s14A-4yryB:
undetectable		 1s14A-4yryB:
15.35
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)
 0.61A 1s14A-4zviA:
25.4		 1s14A-4zviA:
30.33
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.
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
 1.33A 1s14A-5b04A:
undetectable		 1s14A-5b04A:
19.88
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 SER A 325
ASP A 349
PRO A 386
ASP A 416
ILE A 353
 None
None
None
NAG  A 704 (-4.4A)
None
 1.30A 1s14A-5gqfA:
undetectable		 1s14A-5gqfA:
15.28
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)
 1.10A 1s14A-5idmA:
5.8		 1s14A-5idmA:
22.71
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.
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)
 1.32A 1s14A-5ix1A:
9.9		 1s14A-5ix1A:
16.99
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.
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)
 0.56A 1s14A-5j5pA:
24.8		 1s14A-5j5pA:
26.85
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.
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)
 1.03A 1s14A-5ofbB:
9.5		 1s14A-5ofbB:
18.46
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 ASN B 219
SER B 218
ASP B 215
ARG B  54
ILE B 257
 None
 1.47A 1s14A-5ofbB:
9.5		 1s14A-5ofbB:
18.46
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ASP A 172
MET A 457
ASP A 445
ILE A 454
THR A 168
 None
None
FAD  A 503 (-2.0A)
SF4  A 501 ( 4.3A)
None
 1.35A 1s14A-5vj7A:
undetectable		 1s14A-5vj7A:
19.07
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.
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
 0.74A 1s14A-5x9yC:
16.6		 1s14A-5x9yC:
20.91
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 5 ASN A 405
ASP A 325
ARG A 384
ASP A  55
ARG A  87
 None
 1.46A 1s14A-5yknA:
undetectable		 1s14A-5yknA:
13.23
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.
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
 1.46A 1s14A-6cn7A:
undetectable		 1s14A-6cn7A:
17.54
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
 1.48A 1s14A-6emkI:
undetectable		 1s14A-6emkI:
18.42
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
 1.41A 1s14A-6f91A:
undetectable		 1s14A-6f91A:
17.35