SIMILAR PATTERNS OF AMINO ACIDS FOR 4MI4_C_SPMC201

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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		4 ASN A 162
GLU A 167
TYR A 164
GLU A 160
 None
 1.18A 4mi4A-1ajzA:
0.5
4mi4C-1ajzA:
0.6		 4mi4A-1ajzA:
22.76
4mi4C-1ajzA:
22.76
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 TYR A 465
GLU A 452
TYR A 449
GLU A  81
 None
 1.12A 4mi4A-1b41A:
1.4
4mi4C-1b41A:
1.0		 4mi4A-1b41A:
13.44
4mi4C-1b41A:
13.44
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 ASN A 514
GLU A 519
TYR A 428
GLU A 431
 None
 1.02A 4mi4A-1c2oA:
1.7
4mi4C-1c2oA:
1.0		 4mi4A-1c2oA:
13.75
4mi4C-1c2oA:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 TYR A 465
GLU A 452
TYR A 449
GLU A  81
 None
 1.17A 4mi4A-1c2oA:
1.7
4mi4C-1c2oA:
1.0		 4mi4A-1c2oA:
13.75
4mi4C-1c2oA:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		5 ASN A 719
GLU A 782
GLU A 708
TYR A 778
GLU A 777
 None
 1.27A 4mi4A-1c7tA:
undetectable
4mi4C-1c7tA:
0.0		 4mi4A-1c7tA:
11.32
4mi4C-1c7tA:
11.32
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.
1jdp ATRIAL NATRIURETIC
PEPTIDE CLEARANCE
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 TYR A 136
GLU A  92
TYR A  93
GLU A 165
 None
 1.22A 4mi4A-1jdpA:
0.9
4mi4C-1jdpA:
0.2		 4mi4A-1jdpA:
17.46
4mi4C-1jdpA:
17.46
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		4 TYR A 729
ASN A 587
GLU A 734
TYR A 582
 None
 1.21A 4mi4A-1lnsA:
0.0
4mi4C-1lnsA:
0.0		 4mi4A-1lnsA:
14.04
4mi4C-1lnsA:
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		4 TYR A 437
ASN A 230
TYR A 288
GLU A 368
 None
 1.24A 4mi4A-1oa1A:
0.0
4mi4C-1oa1A:
0.0		 4mi4A-1oa1A:
15.08
4mi4C-1oa1A:
15.08
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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		4 ASN A 303
GLU A 299
GLU A 301
TYR A 259
 None
 1.19A 4mi4A-1rh1A:
0.0
4mi4C-1rh1A:
undetectable		 4mi4A-1rh1A:
16.50
4mi4C-1rh1A:
16.50
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.
1zb1 BRO1 PROTEIN

(Saccharomyces
cerevisiae) 		PF03097
(BRO1) 		4 TYR A  71
GLU A 345
GLU A  75
TYR A  78
 None
 1.29A 4mi4A-1zb1A:
undetectable
4mi4C-1zb1A:
undetectable		 4mi4A-1zb1A:
19.59
4mi4C-1zb1A:
19.59
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.
1zl9 GLUTATHIONE
S-TRANSFERASE 5

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 ASN A  32
GLU A  57
TYR A  29
GLU A  30
 None
 1.04A 4mi4A-1zl9A:
undetectable
4mi4C-1zl9A:
undetectable		 4mi4A-1zl9A:
19.57
4mi4C-1zl9A:
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.
2d9j REGULATOR OF
G-PROTEIN SIGNALLING
7

(Homo sapiens) 		PF00615
(RGS) 		4 ASN A  44
GLU A  39
GLU A  37
GLU A  43
 None
 1.17A 4mi4A-2d9jA:
undetectable
4mi4C-2d9jA:
undetectable		 4mi4A-2d9jA:
22.55
4mi4C-2d9jA:
22.55
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.
2e18 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Pyrococcus
horikoshii) 		PF02540
(NAD_synthase) 		4 ASN A 198
GLU A 160
TYR A 157
GLU A 202
 None
None
None
ZN  A1304 ( 2.2A)
 1.09A 4mi4A-2e18A:
undetectable
4mi4C-2e18A:
undetectable		 4mi4A-2e18A:
23.10
4mi4C-2e18A:
23.10
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLU A 198
GLU A 241
GLU A 202
GLU A 119
 None
 0.83A 4mi4A-2gp6A:
undetectable
4mi4C-2gp6A:
undetectable		 4mi4A-2gp6A:
19.86
4mi4C-2gp6A:
19.86
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		4 TYR A  67
ASN A 173
TYR A 171
GLU A 112
 None
 1.23A 4mi4A-2gu0A:
undetectable
4mi4C-2gu0A:
undetectable		 4mi4A-2gu0A:
20.39
4mi4C-2gu0A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kxp F-ACTIN-CAPPING
PROTEIN SUBUNIT
ALPHA-1

(Gallus gallus) 		PF01267
(F-actin_cap_A) 		4 TYR A 136
GLU A 233
GLU A 236
TYR A 239
 None
 1.12A 4mi4A-2kxpA:
undetectable
4mi4C-2kxpA:
undetectable		 4mi4A-2kxpA:
22.46
4mi4C-2kxpA:
22.46
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.
2l95 CRAMMER

(Drosophila
melanogaster) 		PF08246
(Inhibitor_I29) 		4 TYR A  33
GLU A   8
GLU A   9
GLU A  12
 None
 1.18A 4mi4A-2l95A:
undetectable
4mi4C-2l95A:
undetectable		 4mi4A-2l95A:
18.91
4mi4C-2l95A:
18.91
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.
2mk6 ADAPTER PROTEIN MECA

(Bacillus
subtilis) 		PF05389
(MecA) 		4 GLU A   4
GLU A  72
TYR A  14
GLU A   2
 None
 1.02A 4mi4A-2mk6A:
undetectable
4mi4C-2mk6A:
undetectable		 4mi4A-2mk6A:
19.90
4mi4C-2mk6A:
19.90
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 TYR A   9
ASN A 328
GLU A  14
GLU A 345
 None
 1.16A 4mi4A-2nq5A:
undetectable
4mi4C-2nq5A:
undetectable		 4mi4A-2nq5A:
12.97
4mi4C-2nq5A:
12.97
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.
2owz FRUCTOSE-1,6-BISPHOS
PHATASE

(Escherichia
coli) 		PF00316
(FBPase) 		4 TYR A 169
GLU A 192
GLU A  14
GLU A  10
 None
 1.29A 4mi4A-2owzA:
undetectable
4mi4C-2owzA:
undetectable		 4mi4A-2owzA:
21.19
4mi4C-2owzA:
21.19
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		4 ASN A 290
GLU A 283
TYR A 286
GLU A 389
 None
None
None
CPS  A 777 (-3.5A)
 0.99A 4mi4A-2punA:
undetectable
4mi4C-2punA:
undetectable		 4mi4A-2punA:
20.15
4mi4C-2punA:
20.15
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.
2vhh CG3027-PA

(Drosophila
melanogaster) 		PF00795
(CN_hydrolase) 		4 ASN A 145
GLU A 173
GLU A 169
GLU A 144
 None
 1.09A 4mi4A-2vhhA:
undetectable
4mi4C-2vhhA:
undetectable		 4mi4A-2vhhA:
18.47
4mi4C-2vhhA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wa0 MELANOMA-ASSOCIATED
ANTIGEN 4

(Homo sapiens) 		PF01454
(MAGE) 		4 GLU A 221
GLU A 219
TYR A 270
GLU A 271
 None
 0.99A 4mi4A-2wa0A:
undetectable
4mi4C-2wa0A:
undetectable		 4mi4A-2wa0A:
27.56
4mi4C-2wa0A:
27.56
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		4 GLU A 475
GLU A 377
TYR A 378
GLU A 564
 CA  A2071 (-3.0A)
None
None
None
 1.12A 4mi4A-2yocA:
undetectable
4mi4C-2yocA:
undetectable		 4mi4A-2yocA:
10.09
4mi4C-2yocA:
10.09
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLU A 279
TYR A 240
GLU A 286
GLU A 282
 None
 1.29A 4mi4A-2yv2A:
undetectable
4mi4C-2yv2A:
undetectable		 4mi4A-2yv2A:
22.37
4mi4C-2yv2A:
22.37
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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		4 ASN A  99
GLU A 149
GLU A  49
GLU A  53
 None
 1.12A 4mi4A-2yvtA:
undetectable
4mi4C-2yvtA:
undetectable		 4mi4A-2yvtA:
23.22
4mi4C-2yvtA:
23.22
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.
2yyy GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 ASN A  97
GLU A 115
TYR A 138
GLU A  99
 NAP  A2001 (-3.3A)
None
None
None
 1.10A 4mi4A-2yyyA:
undetectable
4mi4C-2yyyA:
undetectable		 4mi4A-2yyyA:
20.36
4mi4C-2yyyA:
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.
2z13 EF-HAND
DOMAIN-CONTAINING
FAMILY MEMBER C2

(Homo sapiens) 		PF06565
(DUF1126) 		4 GLU A  24
TYR A  38
GLU A  54
GLU A  56
 None
 1.29A 4mi4A-2z13A:
undetectable
4mi4C-2z13A:
undetectable		 4mi4A-2z13A:
23.12
4mi4C-2z13A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		4 ASN A 356
GLU A 281
TYR A 354
GLU A 355
 None
 1.03A 4mi4A-2z61A:
undetectable
4mi4C-2z61A:
undetectable		 4mi4A-2z61A:
21.88
4mi4C-2z61A:
21.88
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 TYR A 455
ASN A 232
TYR A 184
GLU A 380
 GLD  A 807 (-3.7A)
CA  A 702 (-3.1A)
ACI  A 806 ( 4.0A)
GLD  A 807 ( 2.8A)
 1.05A 4mi4A-3bc9A:
undetectable
4mi4C-3bc9A:
undetectable		 4mi4A-3bc9A:
15.99
4mi4C-3bc9A:
15.99
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		4 ASN A 109
GLU A 162
TYR A 157
GLU A 107
 None
ZN  A 301 (-2.2A)
None
None
 1.10A 4mi4A-3c37A:
undetectable
4mi4C-3c37A:
undetectable		 4mi4A-3c37A:
19.69
4mi4C-3c37A:
19.69
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.
3ftb HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Clostridium
acetobutylicum) 		PF00155
(Aminotran_1_2) 		4 TYR A  73
ASN A 152
GLU A 188
GLU A 184
 PO4  A 364 (-4.1A)
None
PO4  A 364 ( 4.4A)
None
 1.25A 4mi4A-3ftbA:
undetectable
4mi4C-3ftbA:
undetectable		 4mi4A-3ftbA:
20.61
4mi4C-3ftbA:
20.61
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.
3g65 CHECKPOINT PROTEIN
HUS1

(Homo sapiens) 		PF04005
(Hus1) 		4 ASN C 191
GLU C 195
GLU C 183
GLU C 229
 None
 1.10A 4mi4A-3g65C:
undetectable
4mi4C-3g65C:
undetectable		 4mi4A-3g65C:
21.15
4mi4C-3g65C:
21.15
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.
3gn6 CT0912, ORFAN
PROTEIN WITH A
FERREDOXIN-LIKE
DOMAIN REPEAT

(Chlorobaculum
tepidum) 		no annotation 4 TYR A  42
GLU A 256
GLU A 201
GLU A 191
 None
 1.14A 4mi4A-3gn6A:
undetectable
4mi4C-3gn6A:
undetectable		 4mi4A-3gn6A:
20.81
4mi4C-3gn6A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		4 TYR A 246
ASN A 186
GLU A 258
GLU A 187
 None
 1.12A 4mi4A-3gycA:
undetectable
4mi4C-3gycA:
undetectable		 4mi4A-3gycA:
17.62
4mi4C-3gycA:
17.62
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.
3juj UDP-GLUCOSE
PYROPHOSPHORYLASE
(GALU)

(Helicobacter
pylori) 		PF00483
(NTP_transferase) 		4 ASN A 200
GLU A 166
TYR A 170
GLU A 160
 None
 1.29A 4mi4A-3jujA:
undetectable
4mi4C-3jujA:
undetectable		 4mi4A-3jujA:
20.82
4mi4C-3jujA:
20.82
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.
3kyf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
putida) 		PF07238
(PilZ)
PF07317
(YcgR) 		4 ASN A 170
GLU A 206
GLU A 205
GLU A 172
 None
 1.23A 4mi4A-3kyfA:
undetectable
4mi4C-3kyfA:
undetectable		 4mi4A-3kyfA:
25.40
4mi4C-3kyfA:
25.40
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 TYR A  82
GLU A 198
GLU A 241
GLU A 119
 None
 0.99A 4mi4A-3kzuA:
undetectable
4mi4C-3kzuA:
undetectable		 4mi4A-3kzuA:
19.63
4mi4C-3kzuA:
19.63
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.
3m7n PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
PUTATIVE
UNCHARACTERIZED
PROTEIN AF_0206

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF10447
(EXOSC1)
PF14382
(ECR1_N) 		4 TYR A  23
GLU A  28
GLU A  25
GLU D 199
 None
 1.10A 4mi4A-3m7nA:
undetectable
4mi4C-3m7nA:
undetectable		 4mi4A-3m7nA:
21.96
4mi4C-3m7nA:
21.96
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.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		4 ASN A 621
GLU A 605
GLU A 617
GLU A 614
 None
 1.23A 4mi4A-3mkqA:
undetectable
4mi4C-3mkqA:
undetectable		 4mi4A-3mkqA:
11.68
4mi4C-3mkqA:
11.68
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.
3mmw ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		4 TYR A 198
GLU A 287
GLU A 253
GLU A  23
 None
None
CD  A 320 (-2.9A)
None
 1.10A 4mi4A-3mmwA:
0.5
4mi4C-3mmwA:
undetectable		 4mi4A-3mmwA:
20.12
4mi4C-3mmwA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1
SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT BETA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00287
(Na_K-ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		4 TYR A 895
ASN B 141
GLU B  63
TYR B 139
 None
 1.29A 4mi4A-3n23A:
undetectable
4mi4C-3n23A:
undetectable		 4mi4A-3n23A:
13.27
4mi4C-3n23A:
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASN A 320
GLU A 377
GLU A 381
GLU A 322
 MAN  A1031 (-3.9A)
MAN  A1028 (-2.7A)
None
MAN  A1029 (-3.5A)
 1.26A 4mi4A-3ogrA:
undetectable
4mi4C-3ogrA:
undetectable		 4mi4A-3ogrA:
11.01
4mi4C-3ogrA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qd8 PROBABLE
BACTERIOFERRITIN
BFRB

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		4 TYR A  29
GLU A  54
GLU A  99
GLU A  22
 None
 1.25A 4mi4A-3qd8A:
undetectable
4mi4C-3qd8A:
undetectable		 4mi4A-3qd8A:
19.63
4mi4C-3qd8A:
19.63
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.
3qwu DNA LIGASE

(Aquifex
aeolicus) 		PF09414
(RNA_ligase) 		4 TYR A 144
GLU A 129
GLU A  76
GLU A 211
 GOL  A 603 ( 3.9A)
ADN  A 501 (-3.0A)
GOL  A 603 ( 3.1A)
CA  A 601 ( 4.7A)
 1.01A 4mi4A-3qwuA:
undetectable
4mi4C-3qwuA:
undetectable		 4mi4A-3qwuA:
19.40
4mi4C-3qwuA:
19.40
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TYR A 228
GLU A 317
GLU A 283
GLU A  54
 GLC  A 402 ( 3.4A)
PO4  A 404 ( 4.9A)
GLC  A 403 (-2.5A)
None
 1.00A 4mi4A-3rjyA:
0.9
4mi4C-3rjyA:
undetectable		 4mi4A-3rjyA:
19.75
4mi4C-3rjyA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6p CAPSID PROTEIN

(Helicoverpa
armigera stunt
virus) 		PF03566
(Peptidase_A21) 		4 GLU A 137
GLU A 136
TYR A 134
GLU A 203
 None
 1.25A 4mi4A-3s6pA:
undetectable
4mi4C-3s6pA:
undetectable		 4mi4A-3s6pA:
14.73
4mi4C-3s6pA:
14.73
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.
3sqw ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 TYR A 537
ASN A 354
GLU A 554
GLU A 484
 None
 1.09A 4mi4A-3sqwA:
undetectable
4mi4C-3sqwA:
undetectable		 4mi4A-3sqwA:
16.09
4mi4C-3sqwA:
16.09
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.
3t04 MONOBODY 7C12

(Homo sapiens) 		PF00041
(fn3) 		4 TYR D  40
ASN D  94
TYR D  82
GLU D  92
 None
 1.16A 4mi4A-3t04D:
undetectable
4mi4C-3t04D:
undetectable		 4mi4A-3t04D:
16.75
4mi4C-3t04D:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ASN A 172
GLU A 189
TYR A 195
GLU A  13
 KAI  A 258 (-3.1A)
KAI  A 258 (-2.5A)
None
KAI  A 258 (-3.1A)
 1.07A 4mi4A-3u92A:
undetectable
4mi4C-3u92A:
undetectable		 4mi4A-3u92A:
22.92
4mi4C-3u92A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 TYR A 387
GLU A  59
GLU A 383
GLU A 287
 None
 1.28A 4mi4A-3u9sA:
undetectable
4mi4C-3u9sA:
undetectable		 4mi4A-3u9sA:
13.34
4mi4C-3u9sA:
13.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wh9 ENDO-BETA-1,4-MANNAN
ASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		4 GLU A 164
TYR A 111
GLU A 168
GLU A 204
 None
None
TRS  A 404 (-2.9A)
None
 1.16A 4mi4A-3wh9A:
undetectable
4mi4C-3wh9A:
undetectable		 4mi4A-3wh9A:
19.02
4mi4C-3wh9A:
19.02
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.
3wnv GLYOXYLATE REDUCTASE

(Paecilomyces
sp.
'thermophila') 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASN A 309
GLU A 302
GLU A 304
GLU A  18
 None
 1.12A 4mi4A-3wnvA:
undetectable
4mi4C-3wnvA:
undetectable		 4mi4A-3wnvA:
22.42
4mi4C-3wnvA:
22.42
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.
3wnw FERRITIN HEAVY CHAIN

(Mus musculus) 		PF00210
(Ferritin) 		4 TYR A  34
GLU A 147
GLU A 107
GLU A 140
 None
 1.08A 4mi4A-3wnwA:
undetectable
4mi4C-3wnwA:
undetectable		 4mi4A-3wnwA:
21.30
4mi4C-3wnwA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE

(Escherichia
coli) 		PF13302
(Acetyltransf_3) 		5 GLU A  33
GLU A  34
TYR A  36
GLU A  37
GLU A  41
 SPD  A 201 (-3.9A)
SPD  A 201 (-4.0A)
SPD  A 201 (-4.6A)
None
SPD  A 201 (-3.1A)
 0.82A 4mi4A-3wr7A:
28.6
4mi4C-3wr7A:
28.6		 4mi4A-3wr7A:
53.65
4mi4C-3wr7A:
53.65
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 GLU A 165
TYR A 113
GLU A 169
GLU A 205
 None
None
TRS  A1352 (-2.8A)
None
 1.11A 4mi4A-3zizA:
undetectable
4mi4C-3zizA:
undetectable		 4mi4A-3zizA:
18.75
4mi4C-3zizA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zty MANNOSYL-3-PHOSPHOGL
YCERATE PHOSPHATASE

(Thermus
thermophilus) 		PF08282
(Hydrolase_3) 		4 GLU A  23
GLU A 244
TYR A 241
GLU A 237
 None
 1.23A 4mi4A-3ztyA:
undetectable
4mi4C-3ztyA:
undetectable		 4mi4A-3ztyA:
23.83
4mi4C-3ztyA:
23.83
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		4 ASN A  68
GLU A  90
TYR A  91
GLU A 532
 None
FEO  A1595 ( 2.6A)
None
CA  A1594 (-2.3A)
 1.29A 4mi4A-4amfA:
undetectable
4mi4C-4amfA:
undetectable		 4mi4A-4amfA:
16.49
4mi4C-4amfA:
16.49
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		4 TYR A 197
GLU A 217
GLU A 208
GLU A 201
 None
 1.11A 4mi4A-4c51A:
undetectable
4mi4C-4c51A:
undetectable		 4mi4A-4c51A:
13.96
4mi4C-4c51A:
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		4 TYR A 167
ASN A 114
GLU A 177
GLU A 175
 None
 1.29A 4mi4A-4dgkA:
undetectable
4mi4C-4dgkA:
undetectable		 4mi4A-4dgkA:
17.18
4mi4C-4dgkA:
17.18
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.
4fib UNCHARACTERIZED
PROTEIN YDHK

(Bacillus
subtilis) 		PF07563
(DUF1541) 		4 TYR A 178
GLU A 201
GLU A 199
GLU A 173
 None
 1.29A 4mi4A-4fibA:
undetectable
4mi4C-4fibA:
undetectable		 4mi4A-4fibA:
15.74
4mi4C-4fibA:
15.74
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.
4fvs PUTATIVE LIPOPROTEIN

(Parabacteroides
distasonis) 		no annotation 4 GLU A  67
GLU A  65
TYR A  88
GLU A 119
 None
 1.24A 4mi4A-4fvsA:
undetectable
4mi4C-4fvsA:
undetectable		 4mi4A-4fvsA:
20.09
4mi4C-4fvsA:
20.09
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.
4g3h ARGINASE (ROCF)

(Helicobacter
pylori) 		PF00491
(Arginase) 		4 TYR A 282
ASN A 291
GLU A 294
GLU A 295
 None
 1.21A 4mi4A-4g3hA:
undetectable
4mi4C-4g3hA:
undetectable		 4mi4A-4g3hA:
20.00
4mi4C-4g3hA:
20.00
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.
4i9c RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE F

(Bacillus
subtilis) 		PF12895
(ANAPC3)
PF13424
(TPR_12) 		4 ASN A  61
GLU A  30
GLU A  68
GLU A  71
 None
 1.28A 4mi4A-4i9cA:
undetectable
4mi4C-4i9cA:
undetectable		 4mi4A-4i9cA:
22.05
4mi4C-4i9cA:
22.05
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.
4lab RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		4 TYR A  73
ASN A 185
TYR A 140
GLU A 139
 None
 1.20A 4mi4A-4labA:
undetectable
4mi4C-4labA:
undetectable		 4mi4A-4labA:
21.85
4mi4C-4labA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mmo SSO-CP2
METALLO-CARBOXYPETID
ASE

(Sulfolobus
solfataricus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 TYR A  69
GLU A 138
GLU A 134
GLU A 344
 None
ZN  A 501 ( 4.5A)
None
None
 1.15A 4mi4A-4mmoA:
undetectable
4mi4C-4mmoA:
undetectable		 4mi4A-4mmoA:
19.41
4mi4C-4mmoA:
19.41
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.
4mnu SLYA-LIKE
TRANSCRIPTION
REGULATOR

(Listeria
monocytogenes) 		PF01047
(MarR) 		4 ASN A 105
TYR A 107
GLU A 104
GLU A  22
 None
 1.12A 4mi4A-4mnuA:
undetectable
4mi4C-4mnuA:
undetectable		 4mi4A-4mnuA:
24.61
4mi4C-4mnuA:
24.61
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		4 ASN A 163
GLU A 268
TYR A 265
GLU A 266
 None
 1.13A 4mi4A-4nqyA:
undetectable
4mi4C-4nqyA:
undetectable		 4mi4A-4nqyA:
18.74
4mi4C-4nqyA:
18.74
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.
4quf RE36324P

(Drosophila
melanogaster) 		PF00385
(Chromo) 		4 ASN A  63
TYR A  24
GLU A  23
GLU A  22
 None
 1.28A 4mi4A-4qufA:
undetectable
4mi4C-4qufA:
undetectable		 4mi4A-4qufA:
13.04
4mi4C-4qufA:
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		4 TYR A 297
ASN A  87
GLU A  89
TYR A 218
 None
None
SAM  A 401 (-3.3A)
None
 1.28A 4mi4A-4rfqA:
3.1
4mi4C-4rfqA:
3.2		 4mi4A-4rfqA:
20.00
4mi4C-4rfqA:
20.00
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.
4rgp CSM6_III-A

(Streptococcus
mutans) 		PF09659
(Cas_Csm6) 		4 ASN A  72
GLU A  75
TYR A  74
GLU A  77
 None
 1.12A 4mi4A-4rgpA:
undetectable
4mi4C-4rgpA:
undetectable		 4mi4A-4rgpA:
23.13
4mi4C-4rgpA:
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.
4s1v D-3-PHOSPHOGLYCERATE
DEHYDROGENASE-RELATE
D PROTEIN

(Vibrio cholerae) 		no annotation 4 GLU D 274
GLU D 267
GLU D 265
GLU D 240
 None
 1.22A 4mi4A-4s1vD:
undetectable
4mi4C-4s1vD:
undetectable		 4mi4A-4s1vD:
21.75
4mi4C-4s1vD:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 TYR A 306
ASN A 274
GLU A 426
GLU A 441
 None
 1.09A 4mi4A-4uozA:
undetectable
4mi4C-4uozA:
undetectable		 4mi4A-4uozA:
14.24
4mi4C-4uozA:
14.24
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.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA

(Bacillus
subtilis) 		PF06160
(EzrA) 		4 ASN A 404
GLU A 411
GLU A 337
GLU A 345
 None
 1.13A 4mi4A-4uxvA:
undetectable
4mi4C-4uxvA:
undetectable		 4mi4A-4uxvA:
16.61
4mi4C-4uxvA:
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 GLU A 193
GLU A  14
TYR A  17
GLU A  21
 None
 1.14A 4mi4A-4wpgA:
undetectable
4mi4C-4wpgA:
undetectable		 4mi4A-4wpgA:
21.40
4mi4C-4wpgA:
21.40
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.
5ab4 SCP2-THIOLASE LIKE
PROTEIN

(Trypanosoma
brucei) 		no annotation 4 TYR A 327
ASN A 204
TYR A 188
GLU A 207
 None
 1.20A 4mi4A-5ab4A:
undetectable
4mi4C-5ab4A:
undetectable		 4mi4A-5ab4A:
22.43
4mi4C-5ab4A:
22.43
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.
5cfi BIS(5'-NUCLEOSYL)-TE
TRAPHOSPHATASE
(DIADENOSINE
TETRAPHOSPHATASE),
PUTATIVE

(Plasmodium
falciparum) 		PF00293
(NUDIX) 		4 TYR A 119
ASN A 106
GLU A  31
GLU A 107
 None
 1.29A 4mi4A-5cfiA:
undetectable
4mi4C-5cfiA:
undetectable		 4mi4A-5cfiA:
16.50
4mi4C-5cfiA:
16.50
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.
5dl8 BENZOATE TRANSPORT
PORIN BENP

(Acinetobacter
baumannii) 		no annotation 4 GLU B 345
TYR B 329
GLU B 343
GLU B 303
 None
 1.22A 4mi4A-5dl8B:
undetectable
4mi4C-5dl8B:
undetectable		 4mi4A-5dl8B:
17.68
4mi4C-5dl8B:
17.68
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		4 ASN A 368
GLU A 381
TYR A 363
GLU A 367
 None
 1.27A 4mi4A-5dooA:
1.8
4mi4C-5dooA:
undetectable		 4mi4A-5dooA:
17.18
4mi4C-5dooA:
17.18
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASN A 320
GLU A 377
GLU A 381
GLU A 322
 MAN  A1627 (-3.7A)
MAN  A1625 (-2.8A)
None
MAN  A1626 (-3.7A)
 1.23A 4mi4A-5ihrA:
undetectable
4mi4C-5ihrA:
undetectable		 4mi4A-5ihrA:
9.94
4mi4C-5ihrA:
9.94
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.
5ip7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3

(Saccharomyces
cerevisiae) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		4 ASN C 206
GLU C 177
TYR C 180
GLU C 179
 None
 1.26A 4mi4A-5ip7C:
undetectable
4mi4C-5ip7C:
undetectable		 4mi4A-5ip7C:
20.45
4mi4C-5ip7C:
20.45
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.
5iy7 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB11-A

(Homo sapiens) 		PF13656
(RNA_pol_L_2) 		4 ASN K  36
GLU K  68
GLU K   8
GLU K  16
 None
 1.29A 4mi4A-5iy7K:
undetectable
4mi4C-5iy7K:
undetectable		 4mi4A-5iy7K:
19.90
4mi4C-5iy7K:
19.90
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.
5k66 NTA1P

(Saccharomyces
cerevisiae) 		PF00795
(CN_hydrolase) 		4 TYR A 193
ASN A 119
GLU A 150
GLU A 143
 None
None
None
ASN  A 501 ( 4.8A)
 1.02A 4mi4A-5k66A:
undetectable
4mi4C-5k66A:
undetectable		 4mi4A-5k66A:
15.94
4mi4C-5k66A:
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.
5ksp MITOCHONDRIAL RHO
GTPASE 1

(Homo sapiens) 		PF00071
(Ras) 		4 ASN A 500
GLU A 537
GLU A 505
TYR A 506
 None
 1.23A 4mi4A-5kspA:
undetectable
4mi4C-5kspA:
undetectable		 4mi4A-5kspA:
22.17
4mi4C-5kspA:
22.17
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.
5ku1 MITOCHONDRIAL RHO
GTPASE 1

(Homo sapiens) 		PF08355
(EF_assoc_1)
PF08356
(EF_assoc_2) 		4 ASN A 500
GLU A 537
GLU A 505
TYR A 506
 None
 1.10A 4mi4A-5ku1A:
undetectable
4mi4C-5ku1A:
undetectable		 4mi4A-5ku1A:
18.57
4mi4C-5ku1A:
18.57
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.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		4 ASN A 423
GLU A 122
GLU A 119
GLU A 464
 None
 1.00A 4mi4A-5m10A:
undetectable
4mi4C-5m10A:
undetectable		 4mi4A-5m10A:
16.20
4mi4C-5m10A:
16.20
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 TYR A 227
ASN A 282
GLU A 324
GLU A 239
 None
 1.20A 4mi4A-5mqmA:
0.7
4mi4C-5mqmA:
undetectable		 4mi4A-5mqmA:
10.42
4mi4C-5mqmA:
10.42
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.
5nny WIPB

(Legionella
pneumophila) 		no annotation 4 ASN A 165
GLU A 157
GLU A 160
GLU A 164
 None
 1.27A 4mi4A-5nnyA:
undetectable
4mi4C-5nnyA:
undetectable		 4mi4A-5nnyA:
20.55
4mi4C-5nnyA:
20.55
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.
5sv6 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 3

(Methylophaga
aminisulfidivorans) 		PF00497
(SBP_bac_3) 		4 TYR A 113
GLU A  57
TYR A  48
GLU A 276
 None
 1.25A 4mi4A-5sv6A:
undetectable
4mi4C-5sv6A:
undetectable		 4mi4A-5sv6A:
22.71
4mi4C-5sv6A:
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.
5th3 R-SWAI PROTEIN

(Staphylococcus
warneri) 		no annotation 4 TYR A   6
GLU A  87
GLU A  88
GLU A  89
 None
 1.28A 4mi4A-5th3A:
undetectable
4mi4C-5th3A:
undetectable		 4mi4A-5th3A:
21.25
4mi4C-5th3A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1b MTRE
PROTEIN,FERRITIN
CHIMERA

(Helicobacter
pylori;
Neisseria
gonorrhoeae) 		no annotation 4 TYR A 123
GLU A  49
GLU A  17
GLU A  94
 None
 1.26A 4mi4A-5u1bA:
undetectable
4mi4C-5u1bA:
undetectable		 4mi4A-5u1bA:
27.15
4mi4C-5u1bA:
27.15
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.
5xjq GEM-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		no annotation 4 ASN 2 200
GLU 2 204
GLU 2 141
GLU 2 142
 None
 1.24A 4mi4A-5xjq2:
undetectable
4mi4C-5xjq2:
undetectable		 4mi4A-5xjq2:
16.75
4mi4C-5xjq2:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjs GEM-ASSOCIATED
PROTEIN 2

(Homo sapiens) 		no annotation 4 ASN 2 200
GLU 2 204
GLU 2 141
GLU 2 142
 None
 1.15A 4mi4A-5xjs2:
undetectable
4mi4C-5xjs2:
undetectable		 4mi4A-5xjs2:
17.80
4mi4C-5xjs2:
17.80
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.
5xns CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		4 ASN A 189
GLU A 994
GLU A 992
GLU A 187
 None
 0.99A 4mi4A-5xnsA:
undetectable
4mi4C-5xnsA:
undetectable		 4mi4A-5xnsA:
20.65
4mi4C-5xnsA:
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.
6bnf PHOSPHOETHANOLAMINE
TRANSFERASE

(Moraxella sp.
HMSC061H09) 		no annotation 4 TYR A 433
GLU A 501
GLU A 521
GLU A 505
 None
 1.18A 4mi4A-6bnfA:
undetectable
4mi4C-6bnfA:
undetectable		 4mi4A-6bnfA:
16.83
4mi4C-6bnfA:
16.83
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.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 4 ASN P 397
GLU P 395
GLU P 202
GLU P 392
 None
 1.27A 4mi4A-6c1dP:
undetectable
4mi4C-6c1dP:
undetectable		 4mi4A-6c1dP:
20.69
4mi4C-6c1dP:
20.69
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.
6cdd NPL4 ZINC FINGER

(Chaetomium
thermophilum) 		no annotation 4 GLU A 516
GLU A 520
GLU A 513
GLU A 309
 None
 1.27A 4mi4A-6cddA:
undetectable
4mi4C-6cddA:
undetectable		 4mi4A-6cddA:
19.75
4mi4C-6cddA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6chs NPL4

(Chaetomium
thermophilum) 		no annotation 4 GLU A 516
GLU A 520
GLU A 513
GLU A 309
 None
 1.29A 4mi4A-6chsA:
undetectable
4mi4C-6chsA:
undetectable		 4mi4A-6chsA:
18.32
4mi4C-6chsA:
18.32
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 4 TYR A  46
ASN A  61
TYR A  63
GLU A  60
 None
 1.14A 4mi4A-6eomA:
undetectable
4mi4C-6eomA:
undetectable		 4mi4A-6eomA:
21.47
4mi4C-6eomA:
21.47