SIMILAR PATTERNS OF AMINO ACIDS FOR 3BF1_B_PAUB248

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.
1apy ASPARTYLGLUCOSAMINID
ASE

(Homo sapiens) 		PF01112
(Asparaginase_2) 		5 ASN B 236
VAL B 212
GLY B 213
ASP B 214
THR B 201
 None
 1.15A 3bf1A-1apyB:
undetectable
3bf1B-1apyB:
undetectable		 3bf1A-1apyB:
20.39
3bf1B-1apyB:
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.
1ebl BETA-KETOACYL-ACP
SYNTHASE III

(Escherichia
coli) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.04A 3bf1A-1eblA:
undetectable
3bf1B-1eblA:
undetectable		 3bf1A-1eblA:
23.08
3bf1B-1eblA:
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 389
THR A 210
VAL A  53
VAL A  50
GLY A  51
 None
 1.21A 3bf1A-1ezvA:
undetectable
3bf1B-1ezvA:
undetectable		 3bf1A-1ezvA:
19.53
3bf1B-1ezvA:
19.53
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.
1f5a POLY(A) POLYMERASE

(Bos taurus) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		5 LEU A 252
VAL A 247
GLY A 246
THR A 326
ILE A 315
 None
3AT  A1000 (-3.9A)
3AT  A1000 (-3.0A)
None
None
 1.13A 3bf1A-1f5aA:
undetectable
3bf1B-1f5aA:
undetectable		 3bf1A-1f5aA:
18.43
3bf1B-1f5aA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1imh NUCLEAR FACTOR OF
ACTIVATED T CELLS 5

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 LEU C 193
THR C 289
VAL C 262
VAL C 255
GLY C 256
 None
 1.17A 3bf1A-1imhC:
undetectable
3bf1B-1imhC:
undetectable		 3bf1A-1imhC:
22.90
3bf1B-1imhC:
22.90
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.
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)

(Homo sapiens) 		PF01230
(HIT) 		6 THR A  50
LEU A  88
VAL A 115
VAL A  80
GLY A  81
ILE A  32
 None
 1.32A 3bf1A-1kpbA:
undetectable
3bf1B-1kpbA:
undetectable		 3bf1A-1kpbA:
19.76
3bf1B-1kpbA:
19.76
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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 329
VAL A 325
GLY A 323
ASP A 320
ILE A 347
 None
 1.23A 3bf1A-1mnsA:
undetectable
3bf1B-1mnsA:
undetectable		 3bf1A-1mnsA:
23.86
3bf1B-1mnsA:
23.86
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.
1oi1 SCML2 PROTEIN

(Homo sapiens) 		PF02820
(MBT) 		5 LEU A 178
VAL A 174
GLY A 175
THR A 205
ILE A 204
 None
 0.95A 3bf1A-1oi1A:
undetectable
3bf1B-1oi1A:
undetectable		 3bf1A-1oi1A:
21.76
3bf1B-1oi1A:
21.76
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT

(Paracoccus
denitrificans) 		no annotation 5 LEU B 267
THR B 223
VAL B 236
GLY B 220
THR B 246
 None
 1.20A 3bf1A-1pbyB:
undetectable
3bf1B-1pbyB:
undetectable		 3bf1A-1pbyB:
20.57
3bf1B-1pbyB:
20.57
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.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 LEU A 191
THR A 242
VAL A 238
THR A 295
ILE A 293
 None
 1.03A 3bf1A-1q8fA:
undetectable
3bf1B-1q8fA:
undetectable		 3bf1A-1q8fA:
22.62
3bf1B-1q8fA:
22.62
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.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		5 THR A 396
LEU A 392
THR A 388
GLY A 376
ILE A 362
 None
 1.02A 3bf1A-1qguA:
undetectable
3bf1B-1qguA:
undetectable		 3bf1A-1qguA:
19.17
3bf1B-1qguA:
19.17
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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 293
THR A 322
VAL A 283
VAL A 319
ILE A 124
 None
 1.02A 3bf1A-1rvkA:
undetectable
3bf1B-1rvkA:
undetectable		 3bf1A-1rvkA:
22.47
3bf1B-1rvkA:
22.47
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 LEU A 216
THR A 168
GLY A 142
ASP A 141
THR A 165
 None
 0.96A 3bf1A-1smlA:
undetectable
3bf1B-1smlA:
undetectable		 3bf1A-1smlA:
20.47
3bf1B-1smlA:
20.47
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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		5 THR A 198
LEU A 202
ASN A 155
GLY A 165
ILE A 171
 None
 1.26A 3bf1A-1t9kA:
undetectable
3bf1B-1t9kA:
undetectable		 3bf1A-1t9kA:
22.16
3bf1B-1t9kA:
22.16
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.
1tht THIOESTERASE

(Vibrio harveyi) 		PF02273
(Acyl_transf_2) 		5 LEU A 100
THR A  37
VAL A  22
VAL A  65
ILE A 108
 None
 1.23A 3bf1A-1thtA:
undetectable
3bf1B-1thtA:
undetectable		 3bf1A-1thtA:
20.26
3bf1B-1thtA:
20.26
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.
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 LEU A1255
THR A1287
ASN A1258
GLY A1299
ILE A1251
 None
 1.24A 3bf1A-1ug3A:
undetectable
3bf1B-1ug3A:
2.3		 3bf1A-1ug3A:
21.02
3bf1B-1ug3A:
21.02
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.
1vhn PUTATIVE FLAVIN
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF01207
(Dus) 		5 LEU A 177
THR A 186
ASN A 140
THR A 133
ILE A 159
 None
 1.01A 3bf1A-1vhnA:
undetectable
3bf1B-1vhnA:
undetectable		 3bf1A-1vhnA:
23.46
3bf1B-1vhnA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		5 LEU A 160
VAL A  85
GLY A  84
THR A 282
ILE A 155
 None
 0.96A 3bf1A-1wkmA:
undetectable
3bf1B-1wkmA:
undetectable		 3bf1A-1wkmA:
22.26
3bf1B-1wkmA:
22.26
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.
1yli PUTATIVE ACYL-COA
THIOESTER HYDROLASE
HI0827

(Haemophilus
influenzae) 		PF03061
(4HBT) 		5 LEU A  19
VAL A  97
VAL A  16
GLY A  83
ILE A  49
 None
 1.16A 3bf1A-1yliA:
undetectable
3bf1B-1yliA:
undetectable		 3bf1A-1yliA:
18.82
3bf1B-1yliA:
18.82
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.
1ytl ACETYL-COA
DECARBOXYLASE/SYNTHA
SE COMPLEX EPSILON
SUBUNIT 2

(Archaeoglobus
fulgidus) 		PF02552
(CO_dh) 		5 LEU A  88
THR A  67
GLY A 116
ASP A 142
ILE A  41
 None
 1.21A 3bf1A-1ytlA:
2.2
3bf1B-1ytlA:
2.3		 3bf1A-1ytlA:
21.18
3bf1B-1ytlA:
21.18
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.
2c1d SOXA

(Paracoccus
denitrificans) 		no annotation 5 LEU A  33
VAL A 286
GLY A 285
ARG A 172
ILE A  35
 None
 1.18A 3bf1A-2c1dA:
undetectable
3bf1B-2c1dA:
undetectable		 3bf1A-2c1dA:
22.82
3bf1B-2c1dA:
22.82
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		5 VAL A 632
VAL A 513
GLY A 489
THR A 522
ILE A 525
 None
 1.01A 3bf1A-2c79A:
undetectable
3bf1B-2c79A:
undetectable		 3bf1A-2c79A:
23.55
3bf1B-2c79A:
23.55
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		5 LEU A  88
THR A  38
VAL A  48
GLY A  49
ILE A   5
 None
 0.91A 3bf1A-2dw6A:
undetectable
3bf1B-2dw6A:
undetectable		 3bf1A-2dw6A:
21.99
3bf1B-2dw6A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		5 LEU A 475
THR A 539
VAL A 495
THR A 455
ILE A 458
 None
 1.20A 3bf1A-2et6A:
undetectable
3bf1B-2et6A:
undetectable		 3bf1A-2et6A:
17.54
3bf1B-2et6A:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  55
GLY A  99
ASP A 101
ARG A 102
THR A 127
ILE A 142
 None
 0.61A 3bf1A-2f9tA:
24.1
3bf1B-2f9tA:
24.2		 3bf1A-2f9tA:
27.37
3bf1B-2f9tA:
27.37
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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 LEU A 264
VAL A 254
GLY A 234
THR A 249
ILE A 244
 None
 1.15A 3bf1A-2grvA:
undetectable
3bf1B-2grvA:
undetectable		 3bf1A-2grvA:
18.08
3bf1B-2grvA:
18.08
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.
2hgc YJCQ PROTEIN

(Bacillus
subtilis) 		PF09639
(YjcQ) 		5 LEU A  65
VAL A  49
GLY A  48
THR A  19
ILE A  14
 None
 1.24A 3bf1A-2hgcA:
undetectable
3bf1B-2hgcA:
undetectable		 3bf1A-2hgcA:
19.52
3bf1B-2hgcA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		5 LEU 1  77
VAL 1  16
VAL 1  30
GLY 1  29
ILE 1  75
 None
 1.22A 3bf1A-2ijd1:
undetectable
3bf1B-2ijd1:
undetectable		 3bf1A-2ijd1:
16.69
3bf1B-2ijd1:
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.
2j6i FORMATE
DEHYDROGENASE

([Candida]
boidinii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  28
THR A 327
GLY A  92
THR A  66
ILE A  65
 None
 1.21A 3bf1A-2j6iA:
undetectable
3bf1B-2j6iA:
undetectable		 3bf1A-2j6iA:
20.32
3bf1B-2j6iA:
20.32
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		7 ASN A   8
VAL A  41
GLY A  72
ASP A  74
ARG A  75
THR A  95
ILE A 109
 None
 0.55A 3bf1A-2nrhA:
18.1
3bf1B-2nrhA:
18.2		 3bf1A-2nrhA:
23.79
3bf1B-2nrhA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pgs PUTATIVE
DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Pseudomonas
savastanoi) 		PF01966
(HD) 		5 THR A 179
LEU A 175
THR A 173
VAL A 160
ILE A  36
 None
 1.22A 3bf1A-2pgsA:
undetectable
3bf1B-2pgsA:
undetectable		 3bf1A-2pgsA:
19.38
3bf1B-2pgsA:
19.38
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		5 LYS A 204
LEU A 205
THR A 372
THR A 342
ILE A 339
 None
 1.13A 3bf1A-2punA:
undetectable
3bf1B-2punA:
undetectable		 3bf1A-2punA:
23.00
3bf1B-2punA:
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 281
THR A 144
VAL A 288
THR A 140
ILE A   8
 FAD  A 480 ( 4.6A)
FAD  A 480 (-3.9A)
None
None
FAD  A 480 (-4.7A)
 1.20A 3bf1A-2qaeA:
undetectable
3bf1B-2qaeA:
2.0		 3bf1A-2qaeA:
19.11
3bf1B-2qaeA:
19.11
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 THR A 365
LEU A 280
VAL A 406
GLY A 417
ILE A 265
 None
 1.03A 3bf1A-2r66A:
2.4
3bf1B-2r66A:
2.3		 3bf1A-2r66A:
19.56
3bf1B-2r66A:
19.56
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.
2vxp TRANSFORMING GROWTH
FACTOR-BETA-INDUCED
PROTEIN IG-H3

(Homo sapiens) 		PF02469
(Fasciclin) 		5 THR A 530
LEU A 531
VAL A 624
GLY A 623
ILE A 573
 None
 1.04A 3bf1A-2vxpA:
undetectable
3bf1B-2vxpA:
undetectable		 3bf1A-2vxpA:
23.25
3bf1B-2vxpA:
23.25
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.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 THR A 619
VAL A 525
GLY A 526
THR A 674
ILE A 675
 None
 0.95A 3bf1A-2w92A:
undetectable
3bf1B-2w92A:
undetectable		 3bf1A-2w92A:
17.38
3bf1B-2w92A:
17.38
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 LEU A 579
VAL A 383
GLY A 384
THR A 603
ILE A 581
 None
 1.23A 3bf1A-3abzA:
undetectable
3bf1B-3abzA:
undetectable		 3bf1A-3abzA:
16.06
3bf1B-3abzA:
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 THR A 137
LEU A 138
ASN A 212
VAL A 171
GLY A 168
 None
MYA  A   1 ( 4.6A)
None
None
None
 1.16A 3bf1A-3b96A:
undetectable
3bf1B-3b96A:
undetectable		 3bf1A-3b96A:
18.65
3bf1B-3b96A:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		8 ASN A   9
VAL A  62
VAL A 102
GLY A 103
ASP A 105
ARG A 106
THR A 131
ILE A 145
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 ( 4.0A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
PAU  A 248 ( 4.3A)
 0.26A 3bf1A-3bexA:
41.3
3bf1B-3bexA:
41.2		 3bf1A-3bexA:
100.00
3bf1B-3bexA:
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.
3byv RHOPTRY KINASE

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 LEU A 530
THR A 403
VAL A 493
GLY A 491
ILE A 407
 None
 1.23A 3bf1A-3byvA:
undetectable
3bf1B-3byvA:
undetectable		 3bf1A-3byvA:
20.81
3bf1B-3byvA:
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 LYS A 308
VAL A 304
VAL A 266
GLY A 264
ILE A 242
 None
 1.22A 3bf1A-3cz8A:
undetectable
3bf1B-3cz8A:
undetectable		 3bf1A-3cz8A:
20.31
3bf1B-3cz8A:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		7 ASN A   9
VAL A  64
VAL A 105
GLY A 106
ASP A 108
THR A 135
ILE A 150
 None
 0.75A 3bf1A-3djcA:
30.3
3bf1B-3djcA:
30.4		 3bf1A-3djcA:
36.69
3bf1B-3djcA:
36.69
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.
3ec1 YQEH GTPASE

(Geobacillus
stearothermophilus) 		PF01926
(MMR_HSR1) 		5 THR A 177
ASN A 180
GLY A 221
ASP A 218
ILE A  78
 GDP  A 900 (-3.8A)
None
GDP  A 900 ( 4.9A)
None
None
 1.25A 3bf1A-3ec1A:
undetectable
3bf1B-3ec1A:
undetectable		 3bf1A-3ec1A:
23.24
3bf1B-3ec1A:
23.24
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  67
VAL A  77
GLY A  78
ASP A 141
ILE A 388
 None
 1.19A 3bf1A-3fxgA:
undetectable
3bf1B-3fxgA:
undetectable		 3bf1A-3fxgA:
19.96
3bf1B-3fxgA:
19.96
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A  81
LEU A  67
VAL A  77
GLY A  78
ILE A 388
 None
 1.18A 3bf1A-3fxgA:
undetectable
3bf1B-3fxgA:
undetectable		 3bf1A-3fxgA:
19.96
3bf1B-3fxgA:
19.96
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 THR A 619
VAL A 525
GLY A 526
THR A 674
ILE A 675
 None
 0.97A 3bf1A-3gdbA:
undetectable
3bf1B-3gdbA:
undetectable		 3bf1A-3gdbA:
13.84
3bf1B-3gdbA:
13.84
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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		5 LEU C 390
VAL C 401
VAL C 343
GLY C 342
ILE C 196
 None
 1.22A 3bf1A-3gi8C:
undetectable
3bf1B-3gi8C:
undetectable		 3bf1A-3gi8C:
20.54
3bf1B-3gi8C:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hf7 UNCHARACTERIZED
CBS-DOMAIN PROTEIN

(Klebsiella
pneumoniae) 		PF00571
(CBS) 		5 THR A 286
VAL A 305
VAL A 302
GLY A 303
ILE A 321
 None
 1.19A 3bf1A-3hf7A:
undetectable
3bf1B-3hf7A:
undetectable		 3bf1A-3hf7A:
18.91
3bf1B-3hf7A:
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		5 ASN A 448
VAL A 273
VAL A 302
THR A 282
ILE A 267
 None
 1.25A 3bf1A-3iwkA:
undetectable
3bf1B-3iwkA:
undetectable		 3bf1A-3iwkA:
19.88
3bf1B-3iwkA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l5o UNCHARACTERIZED
PROTEIN FROM DUF364
FAMILY

(Desulfitobacterium
hafniense) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 LEU A  21
THR A  52
VAL A 232
GLY A  24
ILE A  77
 None
 1.07A 3bf1A-3l5oA:
undetectable
3bf1B-3l5oA:
undetectable		 3bf1A-3l5oA:
23.02
3bf1B-3l5oA:
23.02
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.
3oc9 UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Entamoeba
histolytica) 		PF01704
(UDPGP) 		5 LEU A  94
THR A  96
VAL A 182
GLY A  39
ILE A 104
 None
 1.06A 3bf1A-3oc9A:
undetectable
3bf1B-3oc9A:
undetectable		 3bf1A-3oc9A:
21.92
3bf1B-3oc9A:
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.
3quf EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1

(Bifidobacterium
longum) 		PF13416
(SBP_bac_8) 		5 LEU A 121
THR A 138
ASN A 334
VAL A 143
ILE A 115
 None
 1.01A 3bf1A-3qufA:
undetectable
3bf1B-3qufA:
undetectable		 3bf1A-3qufA:
20.43
3bf1B-3qufA:
20.43
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.
3r5x D-ALANINE--D-ALANINE
LIGASE

(Bacillus
anthracis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A 220
ASN A 229
VAL A 217
THR A 181
ILE A 180
 None
 1.23A 3bf1A-3r5xA:
undetectable
3bf1B-3r5xA:
undetectable		 3bf1A-3r5xA:
21.12
3bf1B-3r5xA:
21.12
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 LEU A  67
THR A 138
VAL A  57
GLY A 112
ILE A  41
 None
 1.15A 3bf1A-3uhjA:
undetectable
3bf1B-3uhjA:
undetectable		 3bf1A-3uhjA:
21.00
3bf1B-3uhjA:
21.00
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.
3uxy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 THR A 147
LEU A 143
THR A  91
ASN A 103
VAL A  82
 None
 1.13A 3bf1A-3uxyA:
undetectable
3bf1B-3uxyA:
undetectable		 3bf1A-3uxyA:
22.46
3bf1B-3uxyA:
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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		5 THR A  10
ASN A  13
VAL A  36
GLY A  35
THR A  76
 None
EDO  A 303 (-4.1A)
None
None
None
 1.12A 3bf1A-3vn3A:
undetectable
3bf1B-3vn3A:
undetectable		 3bf1A-3vn3A:
22.18
3bf1B-3vn3A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ASN A 249
VAL A 204
VAL A 269
GLY A 270
THR A 285
 None
 0.88A 3bf1A-3wy2A:
undetectable
3bf1B-3wy2A:
undetectable		 3bf1A-3wy2A:
16.85
3bf1B-3wy2A:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 LEU A 256
ASN A 249
VAL A 204
VAL A 269
GLY A 270
 None
 1.09A 3bf1A-3wy2A:
undetectable
3bf1B-3wy2A:
undetectable		 3bf1A-3wy2A:
16.85
3bf1B-3wy2A:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		5 ASN A 445
VAL A 270
VAL A 299
THR A 279
ILE A 264
 None
 1.23A 3bf1A-4a0mA:
undetectable
3bf1B-4a0mA:
undetectable		 3bf1A-4a0mA:
19.92
3bf1B-4a0mA:
19.92
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.
4crn ERF1 IN
RIBOSOME-BOUND
ERF1-ERF3-GDPNP
COMPLEX

(Saccharomyces
cerevisiae) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 LEU X 284
VAL X 278
GLY X 160
THR X 388
ILE X 387
 None
 0.94A 3bf1A-4crnX:
4.1
3bf1B-4crnX:
5.2		 3bf1A-4crnX:
21.62
3bf1B-4crnX:
21.62
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.
4d2k DREP2

(Drosophila
melanogaster) 		PF02017
(CIDE-N) 		5 THR A  73
LEU A  75
GLY A  57
ASP A  56
ILE A  60
 None
 1.21A 3bf1A-4d2kA:
undetectable
3bf1B-4d2kA:
undetectable		 3bf1A-4d2kA:
17.27
3bf1B-4d2kA:
17.27
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A  71
VAL A 106
VAL A  82
GLY A  58
ILE A 197
 None
 1.23A 3bf1A-4d4gA:
undetectable
3bf1B-4d4gA:
undetectable		 3bf1A-4d4gA:
18.17
3bf1B-4d4gA:
18.17
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.
4d9r COMPLEMENT FACTOR D

(Homo sapiens) 		PF00089
(Trypsin) 		5 THR A 177
LEU A 180
THR A 214
THR A  98
ILE A  99
 None
 1.23A 3bf1A-4d9rA:
undetectable
3bf1B-4d9rA:
undetectable		 3bf1A-4d9rA:
19.47
3bf1B-4d9rA:
19.47
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.
4e44 CENTROMERE PROTEIN S
CENTROMERE PROTEIN X

(Homo sapiens;
Homo sapiens) 		PF15630
(CENP-S)
PF09415
(CENP-X) 		5 VAL B  73
VAL B  54
GLY B  53
THR A  46
ILE A  50
 None
 1.14A 3bf1A-4e44B:
undetectable
3bf1B-4e44B:
undetectable		 3bf1A-4e44B:
16.73
3bf1B-4e44B:
16.73
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.
4fk8 FERREDOXIN--NADP
REDUCTASE

(Burkholderia
thailandensis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 THR A 156
LEU A 128
THR A 243
GLY A 204
ILE A 210
 None
 1.11A 3bf1A-4fk8A:
3.4
3bf1B-4fk8A:
3.4		 3bf1A-4fk8A:
22.45
3bf1B-4fk8A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 VAL A 749
VAL A 403
GLY A 404
THR A 428
ILE A 425
 None
 1.03A 3bf1A-4g9iA:
11.2
3bf1B-4g9iA:
11.5		 3bf1A-4g9iA:
15.86
3bf1B-4g9iA:
15.86
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF00657
(Lipase_GDSL) 		5 THR A 143
VAL A 145
GLY A 198
ASP A 197
ILE A  53
 None
 1.11A 3bf1A-4h08A:
2.1
3bf1B-4h08A:
undetectable		 3bf1A-4h08A:
19.69
3bf1B-4h08A:
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 LEU A 350
VAL A 327
GLY A 328
ASP A 418
THR A 371
 None
 1.22A 3bf1A-4kriA:
undetectable
3bf1B-4kriA:
undetectable		 3bf1A-4kriA:
21.35
3bf1B-4kriA:
21.35
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.
4lfn GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
A
GALACTOSE-6-PHOSPHAT
E ISOMERASE SUBUNIT
B

(Lactobacillus
rhamnosus;
Lactobacillus
rhamnosus) 		PF02502
(LacAB_rpiB)
PF02502
(LacAB_rpiB) 		5 ASN A  88
VAL B 110
GLY B 107
ASP B  87
ILE B  69
 None
None
None
None
RBL  B 201 ( 4.7A)
 1.15A 3bf1A-4lfnA:
undetectable
3bf1B-4lfnA:
undetectable		 3bf1A-4lfnA:
22.31
3bf1B-4lfnA:
22.31
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.
4m7g TRYPSIN-LIKE
PROTEASE

(Saccharopolyspora
erythraea) 		PF00089
(Trypsin) 		5 LEU A  92
THR A  44
VAL A  16
GLY A  28
ILE A  52
 None
 1.21A 3bf1A-4m7gA:
undetectable
3bf1B-4m7gA:
undetectable		 3bf1A-4m7gA:
21.01
3bf1B-4m7gA:
21.01
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		5 LEU A 233
ASN A 133
VAL A 174
GLY A 223
ILE A 147
 None
 1.05A 3bf1A-4mx3A:
undetectable
3bf1B-4mx3A:
undetectable		 3bf1A-4mx3A:
22.66
3bf1B-4mx3A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		7 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
ILE A 144
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
PAU  A 301 ( 4.4A)
 0.46A 3bf1A-4o5fA:
18.3
3bf1B-4o5fA:
17.6		 3bf1A-4o5fA:
24.82
3bf1B-4o5fA:
24.82
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		5 ASN A 276
VAL A 253
VAL A 179
GLY A 178
ILE A 268
 None
 1.12A 3bf1A-4pz2A:
undetectable
3bf1B-4pz2A:
undetectable		 3bf1A-4pz2A:
20.35
3bf1B-4pz2A:
20.35
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 THR A 425
VAL A 295
VAL A 291
GLY A 292
ILE A 447
 None
 1.06A 3bf1A-4qiqA:
undetectable
3bf1B-4qiqA:
undetectable		 3bf1A-4qiqA:
20.00
3bf1B-4qiqA:
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.
4r8g UNCONVENTIONAL
MYOSIN-IC

(Mus musculus) 		PF00612
(IQ)
PF06017
(Myosin_TH1) 		5 LEU E 879
THR E 908
VAL E 915
VAL E 912
ILE E 884
 None
 1.23A 3bf1A-4r8gE:
undetectable
3bf1B-4r8gE:
undetectable		 3bf1A-4r8gE:
19.49
3bf1B-4r8gE:
19.49
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 LEU A 557
VAL A 583
GLY A 569
THR A 608
ILE A 598
 None
 1.20A 3bf1A-4sliA:
undetectable
3bf1B-4sliA:
undetectable		 3bf1A-4sliA:
16.96
3bf1B-4sliA:
16.96
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.
4w1w ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 LEU A 348
VAL A 370
GLY A 375
THR A 423
ILE A 419
 None
 1.19A 3bf1A-4w1wA:
2.1
3bf1B-4w1wA:
undetectable		 3bf1A-4w1wA:
18.88
3bf1B-4w1wA:
18.88
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.
4z19 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Yersinia pestis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
 1.04A 3bf1A-4z19A:
undetectable
3bf1B-4z19A:
undetectable		 3bf1A-4z19A:
24.04
3bf1B-4z19A:
24.04
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.
4zky PYRIDOXAMINE
5-PHOSPHATE OXIDASE

(Mycolicibacterium
smegmatis) 		PF01243
(Putative_PNPOx) 		5 THR A  20
LEU A  18
ASN A  67
THR A  99
ILE A 130
 None
 1.25A 3bf1A-4zkyA:
undetectable
3bf1B-4zkyA:
undetectable		 3bf1A-4zkyA:
20.00
3bf1B-4zkyA:
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.
5aj3 MITORIBOSOMAL
PROTEIN US17M,
MRPS17

(Sus scrofa) 		PF00366
(Ribosomal_S17) 		5 LEU Q  81
VAL Q  28
VAL Q  14
GLY Q  15
ILE Q  84
 None
 1.22A 3bf1A-5aj3Q:
undetectable
3bf1B-5aj3Q:
undetectable		 3bf1A-5aj3Q:
19.28
3bf1B-5aj3Q:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		5 LEU A 117
VAL A 146
VAL A 143
GLY A 163
ASP A 178
 None
 1.11A 3bf1A-5ay9A:
undetectable
3bf1B-5ay9A:
undetectable		 3bf1A-5ay9A:
21.52
3bf1B-5ay9A:
21.52
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.
5b5u L-ASPARAGINASE
L-ASPARAGINASE

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF00710
(Asparaginase)
no annotation 		5 THR B 291
VAL A 140
VAL A 150
GLY A 149
ILE A 166
 None
 1.23A 3bf1A-5b5uB:
undetectable
3bf1B-5b5uB:
undetectable		 3bf1A-5b5uB:
20.48
3bf1B-5b5uB:
20.48
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		7 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
ILE A 147
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
PAU  A 302 ( 4.3A)
 0.48A 3bf1A-5b8hA:
26.7
3bf1B-5b8hA:
26.8		 3bf1A-5b8hA:
25.08
3bf1B-5b8hA:
25.08
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A 511
ASN A 522
VAL A 496
THR A 487
ILE A 856
 None
 1.23A 3bf1A-5chcA:
undetectable
3bf1B-5chcA:
undetectable		 3bf1A-5chcA:
16.22
3bf1B-5chcA:
16.22
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.
5czc MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Streptomyces
halstedii) 		no annotation 5 THR A 302
VAL A 290
GLY A 298
ASP A 294
ILE A 179
 None
 1.25A 3bf1A-5czcA:
undetectable
3bf1B-5czcA:
undetectable		 3bf1A-5czcA:
22.44
3bf1B-5czcA:
22.44
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 LEU A  70
THR A 130
VAL A 159
VAL A 156
ILE A  80
 None
 1.13A 3bf1A-5ey9A:
undetectable
3bf1B-5ey9A:
undetectable		 3bf1A-5ey9A:
17.98
3bf1B-5ey9A:
17.98
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.
5fi0 PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE-
DEPENDENT RAC
EXCHANGER 1
PROTEIN,PHOSPHATIDYL
INOSITOL
3,4,5-TRISPHOSPHATE-
DEPENDENT RAC
EXCHANGER 1 PROTEIN

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		5 VAL A 223
VAL A 134
GLY A 132
ASP A 219
ILE A  57
 None
 0.99A 3bf1A-5fi0A:
undetectable
3bf1B-5fi0A:
undetectable		 3bf1A-5fi0A:
19.53
3bf1B-5fi0A:
19.53
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.
5fsw RNA DEPENDENT RNA
POLYMERASE QDE-1

(Thielavia
terrestris) 		PF05183
(RdRP) 		5 LEU A 499
VAL A 465
VAL A 494
GLY A 492
ILE A 510
 None
 1.19A 3bf1A-5fswA:
undetectable
3bf1B-5fswA:
undetectable		 3bf1A-5fswA:
12.56
3bf1B-5fswA:
12.56
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 402
VAL A 471
GLY A 452
ARG A 451
THR A 302
 None
 1.06A 3bf1A-5i5dA:
undetectable
3bf1B-5i5dA:
undetectable		 3bf1A-5i5dA:
17.32
3bf1B-5i5dA:
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 402
VAL A 471
GLY A 452
ARG A 451
THR A 302
 None
 1.08A 3bf1A-5i5hA:
undetectable
3bf1B-5i5hA:
1.5		 3bf1A-5i5hA:
19.29
3bf1B-5i5hA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kia L-THREONINE
3-DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A  54
VAL A 113
GLY A 112
THR A  40
ILE A  44
 None
 1.21A 3bf1A-5kiaA:
1.9
3bf1B-5kiaA:
2.2		 3bf1A-5kiaA:
20.75
3bf1B-5kiaA:
20.75
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 THR A 636
LEU A 617
VAL A 587
THR A 645
ILE A 644
 None
 1.04A 3bf1A-5m59A:
undetectable
3bf1B-5m59A:
undetectable		 3bf1A-5m59A:
9.26
3bf1B-5m59A:
9.26
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1) 		5 LEU D 424
THR D 367
VAL D 392
THR D 409
ILE D 408
 None
 1.07A 3bf1A-5mg3D:
undetectable
3bf1B-5mg3D:
undetectable		 3bf1A-5mg3D:
17.18
3bf1B-5mg3D:
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A  43
VAL A 301
ASP A  86
THR A  94
ILE A  96
 None
 1.24A 3bf1A-5mqpA:
undetectable
3bf1B-5mqpA:
undetectable		 3bf1A-5mqpA:
17.39
3bf1B-5mqpA:
17.39
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.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE

(Cupriavidus
necator) 		PF07167
(PhaC_N) 		5 LEU A 345
VAL A 243
VAL A 320
GLY A 321
THR A 327
 None
 1.14A 3bf1A-5t6oA:
undetectable
3bf1B-5t6oA:
undetectable		 3bf1A-5t6oA:
19.79
3bf1B-5t6oA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A 952
VAL A 949
GLY A 948
THR A 978
ILE A 977
 None
None
8E7  A1103 ( 4.4A)
None
None
 1.20A 3bf1A-5um6A:
2.4
3bf1B-5um6A:
undetectable		 3bf1A-5um6A:
13.92
3bf1B-5um6A:
13.92
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.
5win -

(-) 		no annotation 5 THR A 705
LEU A 730
THR A 734
VAL A 674
ILE A 670
 None
 1.05A 3bf1A-5winA:
undetectable
3bf1B-5winA:
undetectable		 3bf1A-5winA:
undetectable
3bf1B-5winA:
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.
5wql TAIL-SPECIFIC
PROTEASE

(Escherichia
coli) 		no annotation 5 THR C 239
LEU C 245
VAL C 251
ASP C 342
ILE C 338
 None
 1.25A 3bf1A-5wqlC:
undetectable
3bf1B-5wqlC:
undetectable		 3bf1A-5wqlC:
16.52
3bf1B-5wqlC:
16.52
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 THR B  80
LEU B  34
GLY A 338
ASP A 339
ILE B 542
 None
 1.21A 3bf1A-5y58B:
undetectable
3bf1B-5y58B:
undetectable		 3bf1A-5y58B:
undetectable
3bf1B-5y58B:
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.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 5 THR P 587
VAL P 382
VAL P 385
GLY P 384
ASP P 171
 None
 1.16A 3bf1A-6c1dP:
0.8
3bf1B-6c1dP:
undetectable		 3bf1A-6c1dP:
undetectable
3bf1B-6c1dP:
undetectable