SIMILAR PATTERNS OF AMINO ACIDS FOR 3CSJ_B_CBLB211_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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		5 TYR A 269
PRO A 268
ILE A 507
TYR A 498
GLY A 500
 None
 1.46A 3csjB-1b2hA:
undetectable		 3csjB-1b2hA:
17.85
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.
1bhg BETA-GLUCURONIDASE

(Homo sapiens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 GLY A 583
ARG A 577
ILE A 629
TYR A 626
GLY A 347
 None
 1.46A 3csjB-1bhgA:
undetectable		 3csjB-1bhgA:
16.69
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.
1bxn PROTEIN (RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN)

(Cupriavidus
necator) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PHE A 313
VAL A 344
GLY A 339
ARG A 305
GLY A 331
 None
None
None
None
PO4  A 501 ( 4.9A)
 1.32A 3csjB-1bxnA:
undetectable		 3csjB-1bxnA:
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.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 PRO A 369
GLY A 365
ILE A 106
TYR A 357
GLY A 401
 None
 1.26A 3csjB-1d2eA:
undetectable		 3csjB-1d2eA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1erz N-CARBAMYL-D-AMINO
ACID AMIDOHYDROLASE

(Agrobacterium
sp. KNK712) 		PF00795
(CN_hydrolase) 		5 PHE A 156
PRO A 157
GLY A 184
ARG A 181
GLY A 167
 None
 1.26A 3csjB-1erzA:
undetectable		 3csjB-1erzA:
21.45
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.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		5 VAL A 321
GLY A 284
ILE A 275
TYR A 276
GLY A 319
 None
 1.38A 3csjB-1gqjA:
undetectable		 3csjB-1gqjA:
15.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gsq GLUTATHIONE
S-TRANSFERASE

(Todarodes
pacificus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 TYR A   7
PHE A   8
PRO A   9
GLY A  12
ARG A  13
 None
GDN  A 203 (-4.5A)
None
None
GDN  A 203 (-4.9A)
 0.64A 3csjB-1gsqA:
25.8		 3csjB-1gsqA:
32.43
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.
1icp 12-OXOPHYTODIENOATE
REDUCTASE 1

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 TYR A 329
VAL A 327
GLY A 315
ARG A 312
ILE A  14
 None
 1.21A 3csjB-1icpA:
undetectable		 3csjB-1icpA:
23.35
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.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00117
(GATase) 		5 TYR H  10
PHE H  59
VAL H  55
GLY H  48
ILE H  81
 None
 1.16A 3csjB-1ka9H:
undetectable		 3csjB-1ka9H:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lbk GLUTATHIONE
S-TRANSFERASE CLASS
PI CHIMAERA (CODA)

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		8 TYR A   7
PHE A   8
PRO A   9
VAL A  10
GLY A  12
ARG A  13
ILE A 104
TYR A 108
 None
GSH  A 504 (-4.7A)
None
None
None
GSH  A 504 (-3.7A)
None
None
 0.57A 3csjB-1lbkA:
36.2		 3csjB-1lbkA:
97.12
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.
1m0s RIBOSE-5-PHOSPHATE
ISOMERASE A

(Haemophilus
influenzae) 		PF06026
(Rib_5-P_isom_A) 		5 PHE A  35
VAL A  32
GLY A  82
TYR A  79
GLY A  27
 None
None
CIT  A 501 ( 4.6A)
None
None
 1.12A 3csjB-1m0sA:
undetectable		 3csjB-1m0sA:
18.99
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 PRO A 281
GLY A 296
ILE A 318
TYR A 300
GLY A 277
 None
 1.31A 3csjB-1o94A:
undetectable		 3csjB-1o94A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1omx ALPHA-1,4-N-ACETYLHE
XOSAMINYLTRANSFERASE
EXTL2

(Mus musculus) 		PF09258
(Glyco_transf_64) 		5 TYR A 209
PHE A 264
VAL A 212
GLY A 262
GLY A 177
 None
 1.07A 3csjB-1omxA:
undetectable		 3csjB-1omxA:
18.64
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.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		5 TYR A 255
PHE A 253
GLY A 291
ILE A 313
GLY A 310
 None
 1.24A 3csjB-1tjrA:
undetectable		 3csjB-1tjrA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tu7 GLUTATHIONE
S-TRANSFERASE 2

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 TYR A   7
PHE A   8
GLY A  12
TYR A 106
GLY A 204
 None
GSH  A1001 (-4.8A)
None
None
None
 0.40A 3csjB-1tu7A:
30.7		 3csjB-1tu7A:
41.90
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.
2a8q U8 SNORNA-BINDING
PROTEIN X29

(Xenopus laevis) 		PF00293
(NUDIX) 		5 PHE A 172
ARG A 156
ILE A  54
TYR A 160
GLY A 168
 None
 1.30A 3csjB-2a8qA:
undetectable		 3csjB-2a8qA:
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.
2cow KINESIN-LIKE PROTEIN
KIF13B

(Homo sapiens) 		PF01302
(CAP_GLY) 		5 PRO A  87
VAL A  54
GLY A  55
ARG A  41
GLY A  44
 None
 1.46A 3csjB-2cowA:
undetectable		 3csjB-2cowA:
23.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gsr CLASS PI GST
GLUTATHIONE
S-TRANSFERASE

(Sus scrofa) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		8 TYR A   7
PHE A   8
PRO A   9
VAL A  10
GLY A  12
ARG A  13
TYR A 106
GLY A 203
 GTS  A 208 (-4.5A)
GTS  A 208 (-4.7A)
None
None
None
GTS  A 208 (-4.0A)
None
None
 0.27A 3csjB-2gsrA:
35.6		 3csjB-2gsrA:
82.78
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.
2hnl GLUTATHIONE
S-TRANSFERASE 1

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 TYR A  32
PHE A  33
GLY A  37
ARG A  38
ILE A 127
 None
None
None
GSH  A 501 (-4.3A)
None
 0.61A 3csjB-2hnlA:
25.5		 3csjB-2hnlA:
27.83
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		5 PRO A 450
VAL A 500
GLY A 434
ILE A 476
GLY A 452
 None
 1.34A 3csjB-2jf4A:
undetectable		 3csjB-2jf4A:
18.86
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.
2jhq URACIL
DNA-GLYCOSYLASE

(Vibrio cholerae) 		PF03167
(UDG) 		5 TYR A  66
VAL A  79
ILE A  92
TYR A  93
GLY A 109
 None
 1.11A 3csjB-2jhqA:
undetectable		 3csjB-2jhqA:
22.08
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.
2pbi GUANINE
NUCLEOTIDE-BINDING
PROTEIN SUBUNIT BETA
5

(Mus musculus) 		PF00400
(WD40) 		5 PHE B 254
VAL B 245
GLY B 257
ARG B 264
GLY B 215
 None
 1.17A 3csjB-2pbiB:
undetectable		 3csjB-2pbiB:
18.50
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.
2pid TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 PRO A 272
VAL A 271
GLY A 243
ILE A  76
GLY A  97
 None
None
YSA  A 384 (-3.1A)
None
None
 1.44A 3csjB-2pidA:
undetectable		 3csjB-2pidA:
19.67
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 VAL A 176
GLY A 215
ILE A 471
TYR A 470
GLY A 164
 None
None
None
FAD  A 601 (-4.9A)
FAD  A 601 ( 3.8A)
 1.32A 3csjB-2wdwA:
undetectable		 3csjB-2wdwA:
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.
2x3k ACSD

(Dickeya
chrysanthemi) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 PRO A 219
VAL A 222
GLY A 225
ILE A 292
GLY A 343
 None
 1.06A 3csjB-2x3kA:
undetectable		 3csjB-2x3kA:
16.39
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 PHE A 704
VAL A 740
GLY A 743
ILE A 748
GLY A 700
 None
 1.18A 3csjB-2yevA:
undetectable		 3csjB-2yevA:
14.06
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.
3cxm URACIL-DNA
GLYCOSYLASE

(Leishmania
naiffi) 		PF03167
(UDG) 		5 TYR A 208
VAL A 221
ILE A 234
TYR A 235
GLY A 251
 URB  A 401 ( 3.3A)
None
None
None
None
 1.11A 3csjB-3cxmA:
undetectable		 3csjB-3cxmA:
23.40
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.
3enq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Vibrio
vulnificus) 		PF06026
(Rib_5-P_isom_A) 		5 PHE A  35
VAL A  32
GLY A  82
TYR A  79
GLY A  27
 None
 1.29A 3csjB-3enqA:
undetectable		 3csjB-3enqA:
19.43
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.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 VAL A 309
GLY A 285
ILE A 293
TYR A 305
GLY A 307
 None
 1.37A 3csjB-3fn4A:
undetectable		 3csjB-3fn4A:
20.84
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 PRO A  93
VAL A  92
GLY A  90
ILE A 113
GLY A 215
 None
 1.35A 3csjB-3gyrA:
undetectable		 3csjB-3gyrA:
17.72
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.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 PHE A 110
VAL A  82
GLY A 115
ARG A 134
GLY A 111
 None
 1.38A 3csjB-3h09A:
undetectable		 3csjB-3h09A:
12.49
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus;
Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 PHE A 457
VAL B 887
GLY B 875
ARG A 444
GLY A 459
 None
 1.40A 3csjB-3hkzA:
undetectable		 3csjB-3hkzA:
13.64
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 PRO A1571
VAL A1572
GLY A1537
ILE A1599
GLY A1574
 None
 1.49A 3csjB-3hmjA:
undetectable		 3csjB-3hmjA:
7.73
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.
3i83 2-DEHYDROPANTOATE
2-REDUCTASE

(Methylococcus
capsulatus) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 PHE A 127
GLY A 129
ILE A  11
TYR A  15
GLY A 144
 None
 1.19A 3csjB-3i83A:
undetectable		 3csjB-3i83A:
21.32
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 320
VAL A 343
GLY A  36
ARG A 340
TYR A 329
 None
None
None
NAD  A 503 (-3.2A)
None
 1.17A 3csjB-3jv7A:
undetectable		 3csjB-3jv7A:
22.73
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.
3kio RIBONUCLEASE H2
SUBUNIT A

(Mus musculus) 		PF01351
(RNase_HII) 		5 PHE A 173
PRO A 174
VAL A 175
GLY A  32
ILE A 126
 None
 1.31A 3csjB-3kioA:
undetectable		 3csjB-3kioA:
23.26
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		5 PHE A  87
PRO A 131
VAL A 130
ILE A 105
TYR A 157
 None
 1.32A 3csjB-3koyA:
undetectable		 3csjB-3koyA:
15.49
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.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 PRO A 143
GLY A 133
ARG A 169
ILE A 109
GLY A 113
 None
 1.40A 3csjB-3kqfA:
undetectable		 3csjB-3kqfA:
21.43
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.
3kxw SAFRAMYCIN MX1
SYNTHETASE B

(Legionella
pneumophila) 		PF00501
(AMP-binding) 		5 TYR A 269
PHE A 321
PRO A 323
GLY A 263
ILE A 254
 None
 1.30A 3csjB-3kxwA:
undetectable		 3csjB-3kxwA:
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.
3lhx KETODEOXYGLUCONOKINA
SE

(Shigella
flexneri) 		PF00294
(PfkB) 		5 GLY A 372
ARG A 171
ILE A 163
TYR A 161
GLY A 100
 None
 1.40A 3csjB-3lhxA:
undetectable		 3csjB-3lhxA:
22.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o76 GLUTATHIONE
S-TRANSFERASE P 1

(Mus musculus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		8 TYR A   7
PHE A   8
PRO A   9
VAL A  10
GLY A  12
ARG A  13
TYR A 108
GLY A 205
 None
GTB  A 210 (-4.5A)
None
None
None
GTB  A 210 (-3.9A)
GTB  A 210 (-4.1A)
GTB  A 210 (-3.7A)
 0.31A 3csjB-3o76A:
36.4		 3csjB-3o76A:
84.69
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 PRO A 381
VAL A 380
GLY A 378
ILE A 231
GLY A 225
 None
 1.18A 3csjB-3ogzA:
undetectable		 3csjB-3ogzA:
16.27
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.
3os7 GALACTOSE
MUTAROTASE-LIKE
PROTEIN

(Clostridium
acetobutylicum) 		PF01263
(Aldose_epim) 		5 TYR A 106
PHE A  96
PRO A  97
GLY A 109
ILE A 111
 PG4  A 400 ( 4.4A)
PG4  A 400 ( 3.9A)
PG4  A 400 (-4.4A)
None
None
 1.45A 3csjB-3os7A:
undetectable		 3csjB-3os7A:
19.58
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.
3pf0 IMELYSIN-LIKE
PROTEIN

(Psychrobacter
arcticus) 		PF09375
(Peptidase_M75) 		5 VAL A 164
GLY A 167
ILE A 172
TYR A 213
GLY A 195
 None
 1.21A 3csjB-3pf0A:
undetectable		 3csjB-3pf0A:
21.55
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 VAL A 150
GLY A 189
ILE A 446
TYR A 445
GLY A 138
 None
None
None
FAD  A 499 (-4.4A)
FAD  A 499 (-3.5A)
 1.25A 3csjB-3popA:
undetectable		 3csjB-3popA:
18.24
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 TYR A 417
PHE A 177
PRO A 145
VAL A 146
ILE A 239
 None
 1.46A 3csjB-3tqpA:
undetectable		 3csjB-3tqpA:
20.94
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		5 TYR A 445
VAL A 489
GLY A 470
ARG A 356
GLY A 486
 None
 1.43A 3csjB-3u7vA:
undetectable		 3csjB-3u7vA:
18.03
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.
3w2z METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Nostoc sp. PCC
7120) 		PF01590
(GAF) 		5 PHE A 176
VAL A 140
GLY A 148
ARG A  60
GLY A 177
 None
 1.41A 3csjB-3w2zA:
undetectable		 3csjB-3w2zA:
23.00
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 PRO A 433
VAL A 436
GLY A 429
ILE A 508
GLY A 400
 None
 1.30A 3csjB-3welA:
undetectable		 3csjB-3welA:
13.18
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.
3wme ATP-BINDING
CASSETTE, SUB-FAMILY
B, MEMBER 1

(Cyanidioschyzon
merolae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 PHE A 450
VAL A 448
GLY A 463
ARG A 462
GLY A 502
 None
 1.50A 3csjB-3wmeA:
undetectable		 3csjB-3wmeA:
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 PHE A1270
PRO A 922
GLY A1268
ILE A1183
GLY A1207
 None
 1.40A 3csjB-3zyvA:
undetectable		 3csjB-3zyvA:
9.69
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.
4ber PHOSPHOCHOLINE
TRANSFERASE ANKX

(Legionella
pneumophila) 		PF02661
(Fic)
PF12796
(Ank_2) 		5 VAL A 391
GLY A 112
ARG A 113
TYR A 267
GLY A 385
 None
 1.45A 3csjB-4berA:
undetectable		 3csjB-4berA:
21.17
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.
4deq NEUROPILIN-1,
VASCULAR ENDOTHELIAL
GROWTH FACTOR A

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF14554
(VEGF_C) 		5 VAL A 118
GLY A  67
ILE A 133
TYR A  85
GLY A 110
 None
 1.25A 3csjB-4deqA:
undetectable		 3csjB-4deqA:
18.80
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.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi) 		PF05544
(Pro_racemase) 		5 PRO A 145
VAL A 144
GLY A 171
ILE A  80
GLY A 122
 None
 1.42A 3csjB-4k8lA:
undetectable		 3csjB-4k8lA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi) 		PF05544
(Pro_racemase) 		5 PRO A 145
VAL A 144
GLY A 171
ILE A  80
GLY A 123
 None
 1.38A 3csjB-4k8lA:
undetectable		 3csjB-4k8lA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qrj PUTATIVE
6-PHOSPHOGLUCONOLACT
ONASE

(Bacteroides
uniformis) 		PF10282
(Lactonase) 		5 VAL A 308
GLY A 309
ILE A 293
TYR A 283
GLY A 349
 None
 1.50A 3csjB-4qrjA:
undetectable		 3csjB-4qrjA:
25.44
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.
4uqm URACIL-DNA
GLYCOSYLASE

(Deinococcus
radiodurans) 		PF03167
(UDG) 		5 TYR A  85
VAL A  98
ILE A 111
TYR A 112
GLY A 128
 CL  A1245 (-4.3A)
None
None
None
None
 1.19A 3csjB-4uqmA:
undetectable		 3csjB-4uqmA:
23.77
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.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 TYR A  73
PHE A  76
VAL A 405
GLY A 404
ILE A 376
 None
None
None
None
HEM  A 580 (-4.2A)
 1.44A 3csjB-4uymA:
undetectable		 3csjB-4uymA:
18.34
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.
4w66 GLUTATHIONE
S-TRANSFERASE DOMAIN
PROTEIN

(Haliangium
ochraceum) 		PF14497
(GST_C_3) 		5 TYR A   9
PHE A  10
PRO A  11
VAL A  12
GLY A  14
 None
 0.27A 3csjB-4w66A:
21.4		 3csjB-4w66A:
27.02
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.
4xkz VALINE-TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF08264
(Anticodon_1) 		5 PRO A 664
VAL A 665
GLY A 733
ILE A 739
GLY A 659
 None
 1.47A 3csjB-4xkzA:
3.4		 3csjB-4xkzA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 PRO A 445
GLY A 511
ARG A 510
TYR A 658
GLY A 411
 None
None
None
XYL  A2015 (-3.4A)
None
 1.49A 3csjB-4xwhA:
undetectable		 3csjB-4xwhA:
14.44
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.
4z0n PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Streptobacillus
moniliformis) 		PF13407
(Peripla_BP_4) 		5 PRO A 318
VAL A 317
GLY A 134
ILE A 289
GLY A 284
 None
 1.38A 3csjB-4z0nA:
undetectable		 3csjB-4z0nA:
23.39
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.
5cek TRIBBLES HOMOLOG 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 202
GLY A 204
ILE A 253
TYR A 260
GLY A 262
 None
 1.44A 3csjB-5cekA:
undetectable		 3csjB-5cekA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5d73 GLUTATHIONE
S-TRANSFERASE

(Wuchereria
bancrofti) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 TYR A   7
PHE A   8
PRO A   9
GLY A  12
TYR A 106
GLY A 204
 None
GSH  A 301 (-4.9A)
None
None
None
None
 0.37A 3csjB-5d73A:
30.8		 3csjB-5d73A:
42.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ewo STRUCTURAL PROTEIN

(Mamastrovirus 1) 		PF12226
(Astro_capsid_p) 		5 TYR A 588
PHE A 582
VAL A 543
GLY A 586
GLY A 546
 None
 1.11A 3csjB-5ewoA:
undetectable		 3csjB-5ewoA:
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.
5fmg PROTEOSOME SUBUNIT
ALPHA TYPE 1,
PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 TYR F 116
PHE F 128
VAL F 130
GLY F 131
ILE F  72
 None
 1.28A 3csjB-5fmgF:
undetectable		 3csjB-5fmgF:
22.06
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.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 PHE A 115
VAL A  69
GLY A  66
ILE A 189
GLY A 192
 None
 1.06A 3csjB-5gndA:
undetectable		 3csjB-5gndA:
20.23
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.
5gt1 CHOLINE BINDING
PROTEIN A

(Lactobacillus
salivarius) 		PF01551
(Peptidase_M23) 		5 PHE A 367
PRO A 406
VAL A 370
GLY A 371
ILE A 505
 ACT  A 602 (-4.9A)
None
None
None
None
 1.40A 3csjB-5gt1A:
undetectable		 3csjB-5gt1A:
22.12
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.
5i6c URIC ACID-XANTHINE
PERMEASE

(Aspergillus
nidulans) 		PF00860
(Xan_ur_permease) 		5 PRO A 448
VAL A 451
GLY A 454
ILE A 282
GLY A 305
 None
 0.96A 3csjB-5i6cA:
undetectable		 3csjB-5i6cA:
16.06
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.
5iob BETA-GLUCOSIDASE-REL
ATED GLYCOSIDASES

(Corynebacterium
glutamicum) 		PF00933
(Glyco_hydro_3) 		5 PHE A 216
PRO A 227
GLY A 171
ILE A 169
GLY A 219
 None
 1.41A 3csjB-5iobA:
undetectable		 3csjB-5iobA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5koh NITROGENASE FEMO
BETA SUBUNIT PROTEIN
NIFK

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		5 TYR B 196
PHE B  76
VAL B  77
ILE B 249
GLY B  80
 None
 1.28A 3csjB-5kohB:
undetectable		 3csjB-5kohB:
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 VAL A 294
GLY A 169
ILE A 145
TYR A  54
GLY A  13
 None
 1.13A 3csjB-5kp7A:
undetectable		 3csjB-5kp7A:
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 VAL A 294
GLY A 169
ILE A 145
TYR A  54
GLY A  14
 None
 1.34A 3csjB-5kp7A:
undetectable		 3csjB-5kp7A:
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.
5lhk LEUCINE
AMINOPEPTIDASE 2,
CHLOROPLASTIC

(Streptomyces
sp. BC16019) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 PRO A 312
VAL A 349
GLY A 226
ILE A 339
GLY A 346
 None
None
None
None
BCT  A 603 (-3.3A)
 1.43A 3csjB-5lhkA:
undetectable		 3csjB-5lhkA:
19.14
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 PHE A 154
VAL A 122
GLY A 119
ILE A 395
TYR A 396
 None
 1.21A 3csjB-6d0nA:
undetectable		 3csjB-6d0nA:
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 TYR A 871
PRO A 870
VAL A 869
ILE A1344
GLY A 843
 None
 1.44A 3csjB-6eojA:
undetectable		 3csjB-6eojA:
10.40
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.
6gsw MU CLASS GLUTATHIONE
S-TRANSFERASE OF
ISOENZYME 3-3

(Rattus rattus) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 TYR A   6
VAL A   9
GLY A  11
ILE A 111
TYR A 115
 None
None
GPS  A 221 (-3.5A)
GPS  A 221 (-4.5A)
None
 0.87A 3csjB-6gswA:
25.7		 3csjB-6gswA:
29.86