SIMILAR PATTERNS OF AMINO ACIDS FOR 5JLI_A_ASCA202_0

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1by4 PROTEIN (RETINOIC
ACID RECEPTOR
RXR-ALPHA)

(Homo sapiens) 		PF00105
(zf-C4) 		4 ALA A1136
GLY A1154
CYH A1155
LYS A1156
 None
None
ZN  A1330 (-2.2A)
None
 1.13A 5jliA-1by4A:
undetectable		 5jliA-1by4A:
16.03
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.
1cit PROTEIN (ORPHAN
NUCLEAR RECEPTOR
NGFI-B)

(Rattus
norvegicus) 		PF00105
(zf-C4) 		4 ALA A 233
GLY A 251
CYH A 252
LYS A 253
 None
None
ZN  A 398 ( 2.5A)
None
 1.12A 5jliA-1citA:
undetectable		 5jliA-1citA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flc HAEMAGGLUTININ-ESTER
ASE-FUSION
GLYCOPROTEIN

(Influenza C
virus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 ALA A  43
GLY A  53
LYS A 110
HIS A 109
 None
 1.46A 5jliA-1flcA:
undetectable		 5jliA-1flcA:
14.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqa CYTOCHROME C'

(Rhodobacter
sphaeroides) 		PF01322
(Cytochrom_C_2) 		5 ALA A  18
GLY A 116
CYH A 119
LYS A 120
HIS A 123
 HEC  A 131 ( 3.8A)
None
HEC  A 131 (-1.8A)
None
HEC  A 131 (-3.1A)
 0.65A 5jliA-1gqaA:
17.8		 5jliA-1gqaA:
39.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqa CYTOCHROME C'

(Rhodobacter
sphaeroides) 		PF01322
(Cytochrom_C_2) 		4 GLY A 117
CYH A 119
LYS A 120
HIS A 123
 None
HEC  A 131 (-1.8A)
None
HEC  A 131 (-3.1A)
 0.95A 5jliA-1gqaA:
17.8		 5jliA-1gqaA:
39.10
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.
1isu HIGH POTENTIAL IRON
SULFUR PROTEIN

(Rhodocyclus
tenuis) 		PF01355
(HIPIP) 		4 ALA A  37
GLY A  53
CYH A  22
LYS A  21
 None
None
SF4  A  63 (-2.2A)
None
 1.45A 5jliA-1isuA:
undetectable		 5jliA-1isuA:
18.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mqv CYTOCHROME C'

(Rhodopseudomonas
palustris) 		PF01322
(Cytochrom_C_2) 		4 GLY A 111
CYH A 113
LYS A 114
HIS A 117
 None
HEM  A 150 (-1.9A)
None
HEM  A 150 (-3.3A)
 0.84A 5jliA-1mqvA:
14.8		 5jliA-1mqvA:
36.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nbb CYTOCHROME C'

(Rhodobacter
capsulatus) 		PF01322
(Cytochrom_C_2) 		4 GLY A 115
CYH A 118
LYS A 119
HIS A 122
 None
HEM  A 130 (-1.7A)
None
HEM  A 130 (-3.2A)
 0.24A 5jliA-1nbbA:
17.7		 5jliA-1nbbA:
31.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nbb CYTOCHROME C'

(Rhodobacter
capsulatus) 		PF01322
(Cytochrom_C_2) 		4 GLY A 116
CYH A 118
LYS A 119
HIS A 122
 None
HEM  A 130 (-1.7A)
None
HEM  A 130 (-3.2A)
 0.98A 5jliA-1nbbA:
17.7		 5jliA-1nbbA:
31.11
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A1195
GLY A1209
CYH A1210
LYS A1211
 None
 1.43A 5jliA-1p0cA:
undetectable		 5jliA-1p0cA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		4 ALA A 112
GLY A  92
CYH A  93
LYS A   1
 None
 1.45A 5jliA-1pn3A:
undetectable		 5jliA-1pn3A:
15.65
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.
1pwe L-SERINE DEHYDRATASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 ALA A  73
GLY A  46
CYH A  49
LYS A  50
 None
 1.04A 5jliA-1pweA:
undetectable		 5jliA-1pweA:
18.96
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.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 227
GLY A 218
CYH A 243
LYS A 244
 None
 1.13A 5jliA-1qgdA:
undetectable		 5jliA-1qgdA:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ALA A 209
GLY A 387
CYH A 191
LYS A 190
 None
 1.37A 5jliA-1qlbA:
2.5		 5jliA-1qlbA:
11.74
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.
1qv9 F420-DEPENDENT
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE

(Methanopyrus
kandleri) 		PF01993
(MTD) 		4 ALA A  83
GLY A  39
CYH A  11
LYS A  10
 None
 1.03A 5jliA-1qv9A:
undetectable		 5jliA-1qv9A:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qyp RNA POLYMERASE II

(Thermococcus
celer) 		PF01096
(TFIIS_C) 		4 ALA A  26
GLY A  22
LYS A  20
HIS A  51
 None
 1.29A 5jliA-1qypA:
undetectable		 5jliA-1qypA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tj7 ARGININOSUCCINATE
LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		4 ALA A 242
GLY A 297
CYH A 296
LYS A 295
 None
 1.35A 5jliA-1tj7A:
3.0		 5jliA-1tj7A:
15.56
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.
1u5s CYTOPLASMIC PROTEIN
NCK2

(Homo sapiens) 		PF00018
(SH3_1) 		4 ALA A  49
GLY A  54
CYH A  46
LYS A  45
 None
 1.38A 5jliA-1u5sA:
undetectable		 5jliA-1u5sA:
18.85
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		4 ALA A 173
GLY A 222
CYH A 170
LYS A 169
 None
 1.16A 5jliA-1vhkA:
undetectable		 5jliA-1vhkA:
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.
1x3d FIBRONECTIN TYPE-III
DOMAIN CONTAINING
PROTEIN 3A

(Homo sapiens) 		PF00041
(fn3) 		4 ALA A  83
GLY A  58
CYH A  86
LYS A  87
 None
 1.44A 5jliA-1x3dA:
undetectable		 5jliA-1x3dA:
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.
1y07 DESULFOFERRODOXIN
(RBO)

(Treponema
pallidum) 		PF01880
(Desulfoferrodox) 		4 ALA A  46
GLY A 123
CYH A 119
HIS A  76
 None
None
FE  A 130 (-2.3A)
FE  A 130 (-3.5A)
 1.36A 5jliA-1y07A:
undetectable		 5jliA-1y07A:
22.67
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.
1zc4 RAS-RELATED PROTEIN
RAL-A

(Homo sapiens) 		PF00071
(Ras) 		4 ALA A 177
GLY A  88
LYS A  16
HIS A  15
 None
 1.29A 5jliA-1zc4A:
undetectable		 5jliA-1zc4A:
23.73
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.
1zki HYPOTHETICAL PROTEIN
PA5202

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		4 ALA A 127
GLY A  61
CYH A  64
HIS A  68
 None
 1.14A 5jliA-1zkiA:
undetectable		 5jliA-1zkiA:
17.52
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.
2bov RAS-RELATED PROTEIN
RAL-A

(Homo sapiens) 		PF00071
(Ras) 		4 ALA A 177
GLY A  88
LYS A  16
HIS A  15
 None
 1.36A 5jliA-2bovA:
undetectable		 5jliA-2bovA:
24.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ccy CYTOCHROME C

(Phaeospirillum
molischianum) 		PF01322
(Cytochrom_C_2) 		4 GLY A 115
CYH A 118
LYS A 119
HIS A 122
 None
HEM  A 129 (-1.7A)
None
HEM  A 129 (-3.2A)
 0.86A 5jliA-2ccyA:
16.1		 5jliA-2ccyA:
34.59
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.
2ekl D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ALA A 253
GLY A 249
LYS A 247
HIS A 275
 None
 1.48A 5jliA-2eklA:
undetectable		 5jliA-2eklA:
18.05
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A  42
GLY A 174
CYH A 173
HIS A  66
 None
NAD  A1377 ( 4.4A)
ZN  A 376 ( 3.0A)
ZN  A 376 (-3.3A)
 1.49A 5jliA-2fzwA:
undetectable		 5jliA-2fzwA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 341
GLY A 307
CYH A 311
LYS A 309
 None
 1.28A 5jliA-2gl5A:
undetectable		 5jliA-2gl5A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcm DUAL SPECIFICITY
PROTEIN PHOSPHATASE

(Mus musculus) 		PF00782
(DSPc) 		4 ALA A 104
GLY A  98
CYH A  95
LYS A  96
 None
None
None
ZN  A 368 (-4.0A)
 1.28A 5jliA-2hcmA:
undetectable		 5jliA-2hcmA:
23.90
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		4 ALA A 436
GLY A 480
CYH A 479
HIS A 202
 None
None
None
FAD  A 700 (-3.9A)
 1.43A 5jliA-2i0kA:
undetectable		 5jliA-2i0kA:
13.62
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		4 ALA A 499
GLY A 480
CYH A 479
HIS A 202
 None
None
None
FAD  A 700 (-3.9A)
 1.47A 5jliA-2i0kA:
undetectable		 5jliA-2i0kA:
13.62
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.
2i6l MITOGEN-ACTIVATED
PROTEIN KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 ALA A 218
GLY A 139
LYS A 141
HIS A 144
 None
 1.13A 5jliA-2i6lA:
2.0		 5jliA-2i6lA:
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		4 ALA A 323
GLY A 318
CYH A 291
HIS A 269
 GUN  A 503 ( 4.1A)
None
None
GUN  A 503 ( 4.4A)
 1.34A 5jliA-2i9uA:
undetectable		 5jliA-2i9uA:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j8w CYTOCHROME C'

(Rubrivivax
gelatinosus) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 116
CYH A 119
HIS A 123
 HEM  A1129 ( 3.7A)
None
HEM  A1129 (-1.8A)
HEM  A1129 (-3.4A)
 0.23A 5jliA-2j8wA:
21.4		 5jliA-2j8wA:
47.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jh2 O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF00963
(Cohesin) 		4 ALA A  40
GLY A  10
LYS A   7
HIS A 126
 None
 1.42A 5jliA-2jh2A:
undetectable		 5jliA-2jh2A:
24.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jk7 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		4 ALA A 321
GLY A 305
CYH A 303
LYS A 250
 None
None
ZN  A1347 (-2.2A)
None
 1.24A 5jliA-2jk7A:
undetectable		 5jliA-2jk7A:
21.92
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.
2mfp EC PROTEIN I/II

(Triticum
aestivum) 		PF02068
(Metallothio_PEC) 		4 ALA A  29
GLY A   8
CYH A   7
LYS A   6
 None
None
CD  A 101 (-2.5A)
None
 1.12A 5jliA-2mfpA:
undetectable		 5jliA-2mfpA:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mfp EC PROTEIN I/II

(Triticum
aestivum) 		PF02068
(Metallothio_PEC) 		4 ALA A  30
GLY A   8
CYH A   7
LYS A   6
 None
None
CD  A 101 (-2.5A)
None
 1.37A 5jliA-2mfpA:
undetectable		 5jliA-2mfpA:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nll PROTEIN (RETINOIC
ACID RECEPTOR)

(Homo sapiens) 		PF00105
(zf-C4) 		4 ALA A 136
GLY A 154
CYH A 155
LYS A 156
 None
None
ZN  A 250 (-2.3A)
None
 1.16A 5jliA-2nllA:
undetectable		 5jliA-2nllA:
18.90
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.
2p9n ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1B

(Bos taurus) 		PF00400
(WD40) 		4 ALA C 218
GLY C 160
CYH C 166
LYS C 165
 None
 1.49A 5jliA-2p9nC:
undetectable		 5jliA-2p9nC:
16.58
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.
2pt6 SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ALA A 257
GLY A 280
LYS A 283
HIS A 304
 None
 1.33A 5jliA-2pt6A:
undetectable		 5jliA-2pt6A:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlt (DL)-GLYCEROL-3-PHOS
PHATASE 1

(Saccharomyces
cerevisiae) 		PF13419
(HAD_2) 		4 ALA A 207
GLY A 212
CYH A 213
LYS A 214
 None
HG  A 276 (-4.0A)
HG  A 276 (-2.0A)
None
 1.48A 5jliA-2qltA:
undetectable		 5jliA-2qltA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		4 ALA A  69
GLY A 129
CYH A 127
HIS A 124
 None
ACT  A1233 (-3.9A)
ZN  A1232 ( 2.3A)
ZN  A1232 ( 3.3A)
 1.49A 5jliA-2w3nA:
undetectable		 5jliA-2w3nA:
20.51
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.
2x1f MRNA
3'-END-PROCESSING
PROTEIN RNA15

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 ALA A  62
GLY A  92
CYH A  91
LYS A  90
 None
G  B   1 ( 3.6A)
None
U  B   2 ( 4.6A)
 1.35A 5jliA-2x1fA:
undetectable		 5jliA-2x1fA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbb HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA, DNA
BINDING DOMAIN

(Homo sapiens) 		PF00105
(zf-C4) 		4 ALA A  52
GLY A  70
CYH A  71
LYS A  72
 None
None
ZN  A1001 (-2.3A)
None
 1.19A 5jliA-3cbbA:
undetectable		 5jliA-3cbbA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbb HEPATOCYTE NUCLEAR
FACTOR 4-ALPHA, DNA
BINDING DOMAIN

(Homo sapiens) 		PF00105
(zf-C4) 		4 ALA A 114
GLY A  55
CYH A  51
LYS A  49
 None
None
ZN  A1001 (-2.4A)
None
 1.25A 5jliA-3cbbA:
undetectable		 5jliA-3cbbA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2s MUSCLEBLIND-LIKE
PROTEIN 1

(Homo sapiens) 		PF00642
(zf-CCCH) 		4 ALA A 203
GLY A 196
CYH A 200
HIS A 242
 None
None
ZN  A 303 (-2.3A)
None
 1.29A 5jliA-3d2sA:
undetectable		 5jliA-3d2sA:
17.59
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.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		4 ALA C 193
GLY C 253
CYH C 252
LYS C 251
 None
 1.43A 5jliA-3degC:
undetectable		 5jliA-3degC:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 ALA A 136
GLY A 154
CYH A 155
LYS A 156
 None
None
ZN  A7221 (-2.5A)
None
 1.18A 5jliA-3dzuA:
undetectable		 5jliA-3dzuA:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 ALA A 595
GLY A 211
CYH A 213
HIS A 604
 None
 1.36A 5jliA-3egwA:
undetectable		 5jliA-3egwA:
7.33
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.
3foj UNCHARACTERIZED
PROTEIN

(Staphylococcus
saprophyticus) 		PF00581
(Rhodanese) 		4 ALA A  70
GLY A  89
CYH A  63
LYS A  64
 None
 1.28A 5jliA-3fojA:
undetectable		 5jliA-3fojA:
19.51
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		4 ALA A 588
GLY A 499
CYH A 550
HIS A 113
 CYN  A 900 ( 4.8A)
XCC  A 800 ( 4.1A)
XCC  A 800 ( 2.1A)
CYN  A 900 (-4.1A)
 1.45A 5jliA-3i04A:
undetectable		 5jliA-3i04A:
12.08
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.
3kom TRANSKETOLASE

(Francisella
tularensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 229
GLY A 220
CYH A 245
LYS A 246
 None
 1.47A 5jliA-3komA:
undetectable		 5jliA-3komA:
11.43
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		4 ALA A  78
GLY A 149
CYH A  24
HIS A  94
 None
 1.05A 5jliA-3l0zA:
undetectable		 5jliA-3l0zA:
19.37
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.
3l23 SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 ALA A 145
GLY A 152
CYH A 153
LYS A 154
 None
 1.44A 5jliA-3l23A:
undetectable		 5jliA-3l23A:
17.16
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.
3lm4 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus
jostii) 		PF00903
(Glyoxalase) 		4 ALA A 244
GLY A 299
LYS A 248
HIS A 249
 None
None
None
HPX  A 406 (-3.4A)
 1.47A 5jliA-3lm4A:
undetectable		 5jliA-3lm4A:
15.03
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		4 ALA A 536
GLY A 490
CYH A 492
LYS A 493
 None
 1.48A 5jliA-3nowA:
undetectable		 5jliA-3nowA:
9.70
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.
3qc2 GLYCOSYL HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		4 ALA A 187
GLY A 200
CYH A 201
LYS A 202
 None
 1.41A 5jliA-3qc2A:
undetectable		 5jliA-3qc2A:
16.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vrc CYTOCHROME C'

(Thermochromatium
tepidum) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 118
CYH A 121
HIS A 125
 HEC  A 200 ( 3.8A)
None
HEC  A 200 (-1.9A)
HEC  A 200 (-3.3A)
 0.25A 5jliA-3vrcA:
17.3		 5jliA-3vrcA:
30.30
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.
3w3a V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 ALA A  16
GLY A  37
CYH A  28
LYS A  29
 None
 1.35A 5jliA-3w3aA:
2.7		 5jliA-3w3aA:
11.96
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		4 ALA A 539
GLY A 498
CYH A 566
LYS A 565
 None
 1.44A 5jliA-4c1oA:
3.1		 5jliA-4c1oA:
11.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cx9 CYTOCHROME C, CLASS
II

(Shewanella
frigidimarina) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 115
CYH A 118
LYS A 119
 HEC  A1129 (-3.5A)
None
HEC  A1129 (-1.9A)
None
 0.42A 5jliA-4cx9A:
19.9		 5jliA-4cx9A:
41.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 163
GLY A 341
CYH A 340
HIS A 335
 None
 1.17A 5jliA-4ewgA:
undetectable		 5jliA-4ewgA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewg BETA-KETOACYL
SYNTHASE

(Paraburkholderia
phymatum) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 394
GLY A 341
CYH A 340
HIS A 335
 None
 1.26A 5jliA-4ewgA:
undetectable		 5jliA-4ewgA:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h65 PYRIMIDINE PRECURSOR
BIOSYNTHESIS ENZYME
THI5

(Saccharomyces
cerevisiae) 		PF09084
(NMT1) 		4 GLY A 331
CYH A 327
LYS A 326
HIS A 323
 None
 1.44A 5jliA-4h65A:
undetectable		 5jliA-4h65A:
16.61
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 ALA A 444
GLY A 429
CYH A 430
HIS A 432
 None
 1.50A 5jliA-4jz6A:
undetectable		 5jliA-4jz6A:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymr PROTEIN SNX21

(Mus musculus) 		no annotation 4 ALA A 251
GLY A 278
CYH A 282
HIS A 283
 None
 1.38A 5jliA-4ymrA:
undetectable		 5jliA-4ymrA:
22.98
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.
4ymr PROTEIN SNX21

(Mus musculus) 		no annotation 4 ALA A 254
GLY A 278
CYH A 282
HIS A 283
 None
 1.45A 5jliA-4ymrA:
undetectable		 5jliA-4ymrA:
22.98
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.
4z9d PERTUSSIS TOXIN-LIKE
SUBUNIT ARTA

(Escherichia
coli) 		PF02917
(Pertussis_S1) 		4 ALA A  52
GLY A  38
CYH A  41
HIS A  26
 NAD  A 202 (-3.5A)
NAD  A 202 (-3.8A)
NAD  A 202 (-4.1A)
NAD  A 202 (-3.8A)
 1.44A 5jliA-4z9dA:
undetectable		 5jliA-4z9dA:
15.00
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.
5a11 THIOCYANATE FORMING
PROTEIN

(Thlaspi arvense) 		PF01344
(Kelch_1) 		4 ALA A  21
GLY A  39
CYH A  37
HIS A 326
 None
 1.47A 5jliA-5a11A:
undetectable		 5jliA-5a11A:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED

(Bacteroides
thetaiotaomicron) 		PF04041
(Glyco_hydro_130) 		4 ALA B 184
GLY B 197
CYH B 198
LYS B 199
 None
None
None
MAN  B1485 ( 2.8A)
 1.43A 5jliA-5a7vB:
undetectable		 5jliA-5a7vB:
16.36
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		4 ALA A 138
GLY A 143
CYH A 344
HIS A 348
 None
 1.30A 5jliA-5aexA:
undetectable		 5jliA-5aexA:
13.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3i CYTOCHROME C PRIME

(Hydrogenophilus
thermoluteolus) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
CYH A 124
LYS A 125
HIS A 128
 HEM  A 201 (-3.6A)
HEM  A 201 (-1.8A)
None
HEM  A 201 (-3.4A)
 1.22A 5jliA-5b3iA:
17.7		 5jliA-5b3iA:
34.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b3i CYTOCHROME C PRIME

(Hydrogenophilus
thermoluteolus) 		PF01322
(Cytochrom_C_2) 		4 ALA A  20
GLY A 121
CYH A 124
HIS A 128
 HEM  A 201 (-3.6A)
None
HEM  A 201 (-1.8A)
HEM  A 201 (-3.4A)
 0.14A 5jliA-5b3iA:
17.7		 5jliA-5b3iA:
34.31
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.
5b5z PTLCIB4 H88A MUTANT

(Phaeodactylum
tricornutum) 		no annotation 4 ALA A 129
GLY A  70
CYH A  46
HIS A 102
 None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.3A)
 1.22A 5jliA-5b5zA:
undetectable		 5jliA-5b5zA:
17.31
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.
5eyi NON-STRUCTURAL
PROTEIN 11

(Porcine
reproductive
and respiratory
syndrome virus) 		no annotation 4 ALA A 173
GLY A 133
CYH A 143
HIS A 144
 None
None
None
CL  A 302 (-4.8A)
 1.08A 5jliA-5eyiA:
undetectable		 5jliA-5eyiA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 ALA b 364
GLY b 358
CYH b 359
LYS b 360
 None
 1.48A 5jliA-5gw5b:
2.6		 5jliA-5gw5b:
13.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gyr CYTOCHROME C'

(Allochromatium
vinosum) 		PF01322
(Cytochrom_C_2) 		4 GLY A 118
CYH A 121
LYS A 122
HIS A 125
 None
HEM  A 201 (-2.2A)
None
HEM  A 201 (-3.4A)
 0.46A 5jliA-5gyrA:
5.3		 5jliA-5gyrA:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jt4 CYTOCHROME C'

(Achromobacter
xylosoxidans) 		PF01322
(Cytochrom_C_2) 		4 ALA A  16
CYH A 116
LYS A 117
HIS A 120
 HEC  A 201 (-3.4A)
HEC  A 201 (-1.9A)
None
HEC  A 201 (-3.2A)
 1.36A 5jliA-5jt4A:
25.2		 5jliA-5jt4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jt4 CYTOCHROME C'

(Achromobacter
xylosoxidans) 		PF01322
(Cytochrom_C_2) 		5 ALA A  20
GLY A 113
CYH A 116
LYS A 117
HIS A 120
 ASC  A 202 ( 3.3A)
ASC  A 202 (-3.9A)
HEC  A 201 (-1.9A)
None
HEC  A 201 (-3.2A)
 0.17A 5jliA-5jt4A:
25.2		 5jliA-5jt4A:
100.00
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.
5k8o 5-NITROANTHRANILIC
ACID AMINOHYDROLASE

(Bradyrhizobium
sp.) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ALA A 394
GLY A 127
CYH A 125
HIS A  86
 6R7  A 502 (-4.2A)
None
MN  A 501 ( 4.9A)
MN  A 501 (-3.4A)
 1.46A 5jliA-5k8oA:
undetectable		 5jliA-5k8oA:
15.02
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.
5lb3 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		4 ALA B 414
GLY B 430
CYH B 431
HIS B 433
 None
None
ZN  B 501 (-2.4A)
None
 1.41A 5jliA-5lb3B:
undetectable		 5jliA-5lb3B:
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		4 ALA B 237
GLY B 177
CYH B  94
LYS B  93
 None
 1.32A 5jliA-5m45B:
undetectable		 5jliA-5m45B:
11.58
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.
5vhj 26S PROTEASOME
REGULATORY SUBUNIT
6A

(Homo sapiens) 		PF00004
(AAA) 		4 ALA F 385
GLY F 393
CYH F 396
LYS F 397
 None
 1.41A 5jliA-5vhjF:
undetectable		 5jliA-5vhjF:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ALA A 122
GLY A 129
CYH A 131
LYS A 132
 None
 1.12A 5jliA-5vi6A:
undetectable		 5jliA-5vi6A:
16.53
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ALA A 123
GLY A 129
CYH A 131
LYS A 132
 None
 1.25A 5jliA-5vi6A:
undetectable		 5jliA-5vi6A:
16.53
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 4 ALA A 413
GLY A 484
CYH A 387
LYS A 482
 None
 1.07A 5jliA-5wp4A:
undetectable		 5jliA-5wp4A:
13.65
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 4 ALA A 413
GLY A 484
CYH A 387
LYS A 482
 None
 1.02A 5jliA-5wp5A:
undetectable		 5jliA-5wp5A:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x45 PROTEASE 2A

(Rhinovirus C) 		no annotation 4 ALA A 121
GLY A 106
CYH A  16
HIS A  18
 None
 1.26A 5jliA-5x45A:
undetectable		 5jliA-5x45A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y51 -

(-) 		no annotation 4 ALA A  21
GLY A  16
CYH A  18
HIS A 169
 None
 1.45A 5jliA-5y51A:
undetectable		 5jliA-5y51A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y7w NUCLEAR RECEPTOR
COACTIVATOR 1

(Mus musculus) 		no annotation 4 ALA A 310
GLY A 360
CYH A 344
LYS A 343
 None
 1.37A 5jliA-5y7wA:
undetectable		 5jliA-5y7wA:
21.68
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.
6c9e CYSTEINE DESULFURASE

(Legionella
pneumophila) 		no annotation 4 ALA A 115
GLY A 146
CYH A 142
LYS A 143
 None
 1.47A 5jliA-6c9eA:
undetectable		 5jliA-6c9eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 ALA X 563
GLY X 475
CYH X 525
HIS X  92
 None
BF8  X 702 ( 4.1A)
BF8  X 702 (-2.0A)
None
 1.42A 5jliA-6elqX:
undetectable		 5jliA-6elqX:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gng -

(-) 		no annotation 4 ALA A 369
GLY A 498
CYH A 499
LYS A 500
 None
 1.36A 5jliA-6gngA:
undetectable		 5jliA-6gngA:
undetectable