SIMILAR PATTERNS OF AMINO ACIDS FOR 1S14_B_NOVB2300_1

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
ALA A  90
ILE A  94
 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 ( 3.9A)
NOV  A   1 ( 4.4A)
 0.53A 1s14B-1aj6A:
25.4		 1s14B-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.
1b63 MUTL

(Escherichia
coli) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ASN A  33
SER A  34
ASP A  36
ASP A  58
ASP A  66
 MG  A 701 ( 2.5A)
ANP  A 380 ( 3.8A)
None
ANP  A 380 (-3.6A)
None
 0.65A 1s14B-1b63A:
14.4		 1s14B-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.
1c4t PROTEIN
(DIHYDROLIPOAMIDE
SUCCINYLTRANSFERASE)

(Escherichia
coli) 		PF00198
(2-oxoacid_dh) 		5 ASP A 396
GLU A 395
MET A 209
PRO A 365
ASP A 352
 None
 1.42A 1s14B-1c4tA:
0.0		 1s14B-1c4tA:
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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ASP A 355
PRO A 372
ALA A 375
ILE A 376
ARG A 341
 None
 1.42A 1s14B-1g0dA:
0.0		 1s14B-1g0dA:
13.96
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.
1igw ISOCITRATE LYASE

(Escherichia
coli) 		PF00463
(ICL) 		5 GLU A  42
ASP A 221
ALA A 220
ILE A 176
ARG A  36
 None
 1.20A 1s14B-1igwA:
0.3		 1s14B-1igwA:
17.23
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.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 325
PRO A 302
ASP A 368
ALA A 299
ILE A 296
 None
 1.43A 1s14B-1jscA:
undetectable		 1s14B-1jscA:
15.61
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.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		5 SER A 239
ASP A 188
PRO A 243
ALA A 244
ILE A 268
 None
 1.21A 1s14B-1kfwA:
undetectable		 1s14B-1kfwA:
17.40
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.
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
ALA A  89
ILE A  93
ARG A 135
 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 ( 4.1A)
NOV  A 400 (-4.5A)
NOV  A 400 (-2.7A)
 0.43A 1s14B-1kijA:
26.2		 1s14B-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.
1m3u 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF02548
(Pantoate_transf) 		5 GLU A  36
ASP A  35
ARG A 245
ALA A  20
ILE A  22
 None
 1.46A 1s14B-1m3uA:
0.3		 1s14B-1m3uA:
22.18
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.
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
 1.41A 1s14B-1o94A:
undetectable		 1s14B-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
ALA A1086
ILE A1090
ARG A1132
 ANP  A1500 (-3.2A)
ANP  A1500 ( 4.0A)
None
ANP  A1500 (-3.7A)
ANP  A1500 (-3.5A)
None
ANP  A1500 (-4.3A)
None
None
None
ANP  A1500 ( 3.2A)
None
 0.40A 1s14B-1s16A:
28.7		 1s14B-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
 1.26A 1s14B-1t6sA:
undetectable		 1s14B-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.
1ttz CONSERVED
HYPOTHETICAL PROTEIN

(Xanthomonas
campestris) 		PF05768
(DUF836) 		5 GLU A  58
ASP A  60
ARG A  52
ASP A  37
ALA A  39
 None
 1.22A 1s14B-1ttzA:
undetectable		 1s14B-1ttzA:
22.56
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.
1u5u ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		no annotation 5 ASP A 302
ASP A  82
PRO A  86
ASP A 204
ALA A 202
 None
 1.41A 1s14B-1u5uA:
undetectable		 1s14B-1u5uA:
19.89
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.
1ufv PANTOATE-BETA-ALANIN
E LIGASE

(Thermus
thermophilus) 		PF02569
(Pantoate_ligase) 		5 GLU A  61
ASP A  62
ALA A 260
ILE A 269
ARG A 262
 GOL  A 600 (-3.7A)
GOL  A 600 (-3.1A)
None
None
GOL  A 600 ( 4.2A)
 1.31A 1s14B-1ufvA:
undetectable		 1s14B-1ufvA:
23.37
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.
1vyt CALCIUM CHANNEL
BETA-3 SUBUNIT
VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL ALPHA-1C
SUBUNIT

(Rattus
norvegicus) 		PF00625
(Guanylate_kin)
PF12052
(VGCC_beta4Aa_N)
no annotation 		5 SER A 186
MET A 196
ASP A 202
ALA E 444
ILE E 441
 None
 1.42A 1s14B-1vytA:
undetectable		 1s14B-1vytA:
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.
1yse 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
 1.41A 1s14B-1yseA:
undetectable		 1s14B-1yseA:
21.08
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 SER A 361
ASP A 364
MET A 310
ALA A 313
ILE A 356
 None
HEA  A 516 (-2.7A)
None
HEA  A 516 ( 3.8A)
HEA  A 516 (-4.4A)
 1.38A 1s14B-2eijA:
undetectable		 1s14B-2eijA:
18.65
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.
2eja UROPORPHYRINOGEN
DECARBOXYLASE

(Aquifex
aeolicus) 		PF01208
(URO-D) 		5 ASP A  75
PRO A 318
ASP A 319
ALA A 317
ARG A  29
 None
 1.40A 1s14B-2ejaA:
undetectable		 1s14B-2ejaA:
21.07
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 SER A 183
ASP A 184
PRO A 215
ASP A 220
ALA A 190
 None
 1.45A 1s14B-2ivfA:
undetectable		 1s14B-2ivfA:
11.78
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.
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
 1.19A 1s14B-2o49A:
undetectable		 1s14B-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.
2re7 UNCHARACTERIZED
PROTEIN

(Psychrobacter
arcticus) 		PF16242
(Pyrid_ox_like) 		5 SER A  39
MET A  36
PRO A  35
ALA A  33
ILE A  22
 None
 1.40A 1s14B-2re7A:
undetectable		 1s14B-2re7A:
22.53
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.
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 1s14B-2x75A:
undetectable		 1s14B-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 SER A  40
ASP A  42
ASP A  81
MET A  86
ASP A 144
 ADP  A1211 ( 4.0A)
None
ADP  A1211 (-3.5A)
ADP  A1211 (-3.4A)
None
 1.39A 1s14B-2xcmA:
10.8		 1s14B-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
 1.43A 1s14B-2y9yA:
undetectable		 1s14B-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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		5 GLU A 114
ARG A 117
MET A 115
ASP A 123
ILE A 165
 None
 1.40A 1s14B-2yg6A:
undetectable		 1s14B-2yg6A:
19.20
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.
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 1s14B-3c7tA:
undetectable		 1s14B-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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ASP A 302
ASP A  82
PRO A  86
ASP A 204
ALA A 202
 None
 1.46A 1s14B-3dy5A:
undetectable		 1s14B-3dy5A:
10.96
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.
3ffr PHOSPHOSERINE
AMINOTRANSFERASE
SERC

(Cytophaga
hutchinsonii) 		PF00266
(Aminotran_5) 		5 GLU A 111
PRO A 127
ASP A 129
ALA A 130
ILE A 133
 None
 1.40A 1s14B-3ffrA:
undetectable		 1s14B-3ffrA:
19.83
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
ALA A  86
ILE A  90
ARG A 132
 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)
None
1EU  A   2 (-4.5A)
1EU  A   2 (-3.9A)
 0.45A 1s14B-3fv5A:
32.1		 1s14B-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
ASP A  45
GLU A  46
ASP A  69
ARG A  72
MET A  74
PRO A  75
ASP A  77
ILE A  90
ARG A 132
 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)
None
1EU  A   2 (-4.5A)
1EU  A   2 (-3.9A)
 0.77A 1s14B-3fv5A:
32.1		 1s14B-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.
3gjb CYTC3

(Streptomyces
sp.) 		PF05721
(PhyH) 		5 ASP A  88
GLU A  85
ALA A  78
ILE A  81
ARG A  40
 None
 1.28A 1s14B-3gjbA:
undetectable		 1s14B-3gjbA:
21.78
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.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 5 ASN A 135
SER A  69
ASP A  67
ALA A 113
ILE A 115
 None
 1.18A 1s14B-3hj4A:
undetectable		 1s14B-3hj4A:
19.57
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.
3ico 6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacterium
tuberculosis) 		PF01182
(Glucosamine_iso) 		5 ASP A 111
ASP A 109
ASP A 174
ILE A 184
ARG A 182
 None
 1.38A 1s14B-3icoA:
undetectable		 1s14B-3icoA:
21.99
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.
3ico 6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacterium
tuberculosis) 		PF01182
(Glucosamine_iso) 		5 ASP A 111
ASP A 174
ALA A 172
ILE A 184
ARG A 182
 None
 1.33A 1s14B-3icoA:
undetectable		 1s14B-3icoA:
21.99
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.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 ASN A  70
SER A 362
ASP A 364
ALA A 100
ILE A  43
 None
 1.41A 1s14B-3ipoA:
undetectable		 1s14B-3ipoA:
18.14
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.
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
 1.25A 1s14B-3jysA:
undetectable		 1s14B-3jysA:
17.17
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) 		11 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
 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)
 0.55A 1s14B-3lpsA:
29.8		 1s14B-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
 1.41A 1s14B-3lvrE:
undetectable		 1s14B-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.
3nra ASPARTATE
AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00155
(Aminotran_1_2) 		5 ASN A 186
SER A 185
ASP A 134
ALA A 207
ILE A 203
 None
LLP  A 252 ( 4.5A)
None
None
None
 1.35A 1s14B-3nraA:
undetectable		 1s14B-3nraA:
20.64
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.
3qbo PHOSPHOSERINE
AMINOTRANSFERASE

(Yersinia pestis) 		PF00266
(Aminotran_5) 		5 ASN A 142
SER A 140
ASP A 141
ASP A  95
ASP A 212
 None
 1.39A 1s14B-3qboA:
undetectable		 1s14B-3qboA:
22.03
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.
3qm2 PHOSPHOSERINE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00266
(Aminotran_5) 		5 ASN A 142
SER A 140
ASP A 141
ASP A  95
ASP A 213
 None
 1.43A 1s14B-3qm2A:
undetectable		 1s14B-3qm2A:
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.
3qty PHOSPHORIBOSYLAMINOI
MIDAZOLE (AIR)
SYNTHETASE

(Francisella
tularensis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ASP A 112
GLU A 144
PRO A 116
ALA A 117
ILE A 118
 None
 1.23A 1s14B-3qtyA:
undetectable		 1s14B-3qtyA:
20.92
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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 5 ASN A  63
ASP A  60
PRO A  10
ALA A  16
ILE A   8
 None
 1.46A 1s14B-3qy7A:
undetectable		 1s14B-3qy7A:
23.51
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.
3r5e TRANSALDOLASE

(Corynebacterium
glutamicum) 		PF00923
(TAL_FSA) 		5 ASP A 342
GLU A 339
ASP A 328
ALA A 330
ARG A 213
 None
 1.46A 1s14B-3r5eA:
undetectable		 1s14B-3r5eA:
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.
3sog AMPHIPHYSIN

(Homo sapiens) 		PF03114
(BAR) 		5 ASP A 108
GLU A 107
ASP A 103
ALA A  65
ILE A  67
 None
K  A 238 ( 4.9A)
K  A 238 ( 3.6A)
None
None
 1.22A 1s14B-3sogA:
undetectable		 1s14B-3sogA:
24.35
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.
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
 1.39A 1s14B-3tsrE:
undetectable		 1s14B-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
ALA A  98
ILE A 102
ARG A 144
 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
None
087  A   1 (-2.5A)
 0.56A 1s14B-3u2kA:
27.7		 1s14B-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.
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
 1.39A 1s14B-3wucA:
undetectable		 1s14B-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
 1.14A 1s14B-3zkbA:
26.0		 1s14B-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
 0.54A 1s14B-3zkbA:
26.0		 1s14B-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.
4atm AMPHIPHYSIN

(Homo sapiens) 		PF03114
(BAR) 		5 ASP A 108
GLU A 107
ASP A 103
ALA A  65
ILE A  67
 None
 1.24A 1s14B-4atmA:
undetectable		 1s14B-4atmA:
22.43
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
 1.43A 1s14B-4b6cA:
24.9		 1s14B-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) 		7 ASN A  52
ASP A  55
GLU A  56
ASP A  79
ARG A  82
PRO A  85
ARG A 141
 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)
 0.51A 1s14B-4b6cA:
24.9		 1s14B-4b6cA:
43.35
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.
4cgk SECRETED 45 KDA
PROTEIN

(Streptococcus
pneumoniae) 		PF05257
(CHAP) 		5 SER A 361
GLU A 360
ARG A 373
ALA A 332
ILE A 333
 None
 1.26A 1s14B-4cgkA:
undetectable		 1s14B-4cgkA:
17.22
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ASP A 508
GLU A 505
ARG A 481
MET A 596
ALA A 614
 None
None
None
EDO  A1990 ( 3.9A)
EDO  A1990 (-3.4A)
 1.43A 1s14B-4cu8A:
undetectable		 1s14B-4cu8A:
14.61
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.
4dmg PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1493

(Thermus
thermophilus) 		PF02475
(Met_10) 		5 GLU A 180
ARG A 205
ASP A 243
ALA A 248
ILE A 187
 None
SAM  A 401 (-4.1A)
SAM  A 401 (-2.9A)
None
None
 1.08A 1s14B-4dmgA:
undetectable		 1s14B-4dmgA:
20.31
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
ASP A  54
GLU A  55
ASP A  78
ARG A  81
MET A  83
ILE A  98
ARG A 140
 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)
 0.52A 1s14B-4em7A:
28.2		 1s14B-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) 		8 ASN A  51
ASP A  54
GLU A  55
ASP A  78
ARG A  81
MET A  83
PRO A  84
ILE A  98
 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
 0.56A 1s14B-4em7A:
28.2		 1s14B-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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 MET A 390
PRO A 391
ASP A 431
ALA A 392
ARG A 432
 None
 1.22A 1s14B-4fwgA:
undetectable		 1s14B-4fwgA:
15.51
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ASN A 117
SER A 118
ASP A 114
PRO A 560
ALA A 563
 None
 1.45A 1s14B-4h7uA:
undetectable		 1s14B-4h7uA:
16.67
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
ALA A  99
 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)
None
 0.62A 1s14B-4hxwA:
28.1		 1s14B-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) 		8 ASN A  41
SER A  42
ASP A  44
GLU A  45
ASP A  68
MET A  73
ASP A  76
ILE A  89
 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)
 1.00A 1s14B-4hymA:
29.1		 1s14B-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
ILE A  89
ARG A 131
 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 (-4.6A)
CJC  A 401 (-4.2A)
 0.84A 1s14B-4hymA:
29.1		 1s14B-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) 		9 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
 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)
 0.76A 1s14B-4hz5A:
27.3		 1s14B-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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 ASP A 303
MET A 233
ASP A 217
ALA A  10
ILE A   9
 None
 1.29A 1s14B-4jz7A:
undetectable		 1s14B-4jz7A:
19.57
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.
4kc8 GLYCOSIDE HYDROLASE,
FAMILY 43

(Thermotoga
petrophila) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 ASN A  71
ASP A  69
ALA A 113
ILE A  94
ARG A  91
 None
 1.21A 1s14B-4kc8A:
undetectable		 1s14B-4kc8A:
17.74
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 SER A 291
ASP A 119
PRO A 325
ASP A 327
ALA A 370
 None
 1.06A 1s14B-4lixA:
undetectable		 1s14B-4lixA:
14.04
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.
4oqs CYP105AS1

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 ASP A 224
ASP A 222
ARG A 208
ALA A 234
ILE A 233
 None
 1.30A 1s14B-4oqsA:
undetectable		 1s14B-4oqsA:
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.
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
 1.34A 1s14B-4pboA:
undetectable		 1s14B-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
 1.28A 1s14B-4pf1A:
undetectable		 1s14B-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.
4qus ACETYLTRANSFERASE
YPEA

(Escherichia
coli) 		PF00583
(Acetyltransf_1) 		5 ASP A  53
GLU A  49
ARG A   4
ALA A  86
ILE A  83
 None
 1.38A 1s14B-4qusA:
undetectable		 1s14B-4qusA:
23.98
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
 1.11A 1s14B-4rafA:
undetectable		 1s14B-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) 		8 ASN A  49
SER A  50
ASP A  52
GLU A  53
ASP A  76
ARG A  79
MET A  81
ARG A 138
 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
 0.67A 1s14B-4urlA:
26.9		 1s14B-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) 		9 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
 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
 0.56A 1s14B-4urlA:
26.9		 1s14B-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
ALA A  98
ILE A 102
ARG A 144
 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 ( 3.8A)
XAM  A2000 (-4.5A)
None
 0.67A 1s14B-4urmA:
27.4		 1s14B-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) 		8 ASN A  54
SER A  55
ASP A  57
GLU A  58
ASP A  81
ARG A  84
PRO A  87
ASP A  89
 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
 0.89A 1s14B-4urmA:
27.4		 1s14B-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) 		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
ARG A 138
 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)
 0.92A 1s14B-4urnA:
26.9		 1s14B-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.
4uuk DYNAMIN-1

(Homo sapiens) 		PF00169
(PH)
PF01031
(Dynamin_M)
PF02212
(GED) 		5 SER B 668
ASP B 667
ASP B 492
ALA B 408
ILE B 412
 None
 1.35A 1s14B-4uukB:
undetectable		 1s14B-4uukB:
12.50
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.
4w4l PPE FAMILY PROTEIN
PPE41

(Mycobacterium
tuberculosis) 		PF00823
(PPE) 		5 ASP B 141
GLU B 145
PRO B 105
ALA B 107
ILE B 109
 None
 1.15A 1s14B-4w4lB:
undetectable		 1s14B-4w4lB:
23.42
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
ALA A  90
ILE A  94
ARG A 136
 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
None
 0.69A 1s14B-4zviA:
27.5		 1s14B-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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 ASN A 236
SER A 321
ASP A 326
ASP A 418
ALA A 226
 None
 1.10A 1s14B-5cerA:
undetectable		 1s14B-5cerA:
18.59
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.
5cvc SERINE RACEMASE

(Zea mays) 		PF00291
(PALP) 		5 SER A 322
GLU A  58
ARG A  69
ALA A 205
ILE A 188
 PLP  A 402 (-2.6A)
None
None
None
None
 1.11A 1s14B-5cvcA:
undetectable		 1s14B-5cvcA:
20.64
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.
5cxo EPOXIDE HYDROLASE

(Streptomyces
albus) 		PF12680
(SnoaL_2) 		5 ASN A  58
SER A  57
ARG A  52
ALA A  34
ILE A  36
 P6G  A 202 (-3.2A)
P6G  A 202 (-3.2A)
None
None
None
 1.36A 1s14B-5cxoA:
undetectable		 1s14B-5cxoA:
20.87
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.
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
 1.36A 1s14B-5gqfA:
undetectable		 1s14B-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)
 1.11A 1s14B-5idmA:
5.7		 1s14B-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.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 SER A 362
GLU A 361
ASP A 141
ALA A 270
ILE A 268
 None
 1.16A 1s14B-5iuyA:
undetectable		 1s14B-5iuyA:
20.64
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.
5j5p DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
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
ARG A 140
 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
 0.55A 1s14B-5j5pA:
26.8		 1s14B-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.
5mj7 UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF01156
(IU_nuc_hydro) 		5 SER A  12
ASP A  11
ASP A  18
ALA A  31
ILE A  33
 None
None
CA  A 401 ( 2.3A)
None
None
 1.25A 1s14B-5mj7A:
undetectable		 1s14B-5mj7A:
18.54
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.
5mjr PROTEIN THF1

(Thermosynechococcus
elongatus) 		PF11264
(ThylakoidFormat) 		5 ASN A 114
SER A 115
ASP A 111
GLU A 112
ILE A 165
 None
 1.23A 1s14B-5mjrA:
undetectable		 1s14B-5mjrA:
21.22
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.
5mr4 GDNF FAMILY RECEPTOR
ALPHA-2

(Homo sapiens) 		no annotation 5 SER C 126
ASP C 270
ARG C 276
PRO C 286
ALA C 287
 None
 1.42A 1s14B-5mr4C:
undetectable		 1s14B-5mr4C:
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.
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
 1.43A 1s14B-5ofbB:
10.6		 1s14B-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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 5 SER A 410
ASP A 405
GLU A 413
MET A 415
ALA A 437
 None
 1.34A 1s14B-5u2oA:
undetectable		 1s14B-5u2oA:
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.
5u8s DNA REPLICATION
LICENSING FACTOR
MCM4

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 GLU 4 799
MET 4 801
ASP 4 821
ALA 4 825
ILE 4 829
 None
 1.40A 1s14B-5u8s4:
undetectable		 1s14B-5u8s4:
13.04
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 5 ASP A 101
GLU A  35
ALA A 305
ILE A 308
ARG A  41
 None
 1.40A 1s14B-5xmdA:
undetectable		 1s14B-5xmdA:
20.36
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
 1.44A 1s14B-5yknA:
undetectable		 1s14B-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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER

(Yersinia pestis) 		no annotation 5 SER A  32
GLU A  35
ARG A  42
ALA A  95
ILE A  96
 NA  A 401 ( 4.1A)
None
None
None
None
 1.09A 1s14B-6b2yA:
undetectable		 1s14B-6b2yA:
17.49
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.
6eu9 RETINOIC ACID
RECEPTOR

(Platynereis
dumerilii) 		no annotation 5 ASP A 313
GLU A 314
ASP A 450
ALA A 452
ILE A 321
 None
 1.19A 1s14B-6eu9A:
undetectable		 1s14B-6eu9A:
18.56
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 5 ASN D 270
SER D 271
GLU D 272
ALA D  68
ILE D  67
 None
 1.31A 1s14B-6f5dD:
undetectable		 1s14B-6f5dD:
21.67