SIMILAR PATTERNS OF AMINO ACIDS FOR 3S3N_A_DLUA398

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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		4 ASP A 147
GLY A 141
PRO A  70
GLN A  73
 None
 0.97A 3s3nA-13pkA:
undetectable		 3s3nA-13pkA:
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.
1e6b GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		4 ASP A  45
GLY A  44
TYR A  14
PRO A  38
 None
 1.00A 3s3nA-1e6bA:
undetectable		 3s3nA-1e6bA:
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 GLY A 583
PRO A 587
GLN A 591
GLU A  13
 NAP  A1000 (-4.8A)
NAP  A1000 (-4.6A)
None
NAP  A1000 ( 4.7A)
 0.92A 3s3nA-1j1wA:
undetectable		 3s3nA-1j1wA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		4 ASP A 296
ASP A 312
GLY A 310
ARG A 399
 None
 0.78A 3s3nA-1j5sA:
undetectable		 3s3nA-1j5sA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k1x 4-ALPHA-GLUCANOTRANS
FERASE

(Thermococcus
litoralis) 		PF03065
(Glyco_hydro_57)
PF09094
(DUF1925)
PF09095
(DUF1926) 		4 GLY A 169
TYR A 266
PRO A 128
GLU A 129
 None
 1.02A 3s3nA-1k1xA:
undetectable		 3s3nA-1k1xA:
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.
1kfu M-CALPAIN LARGE
SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		4 GLY L 363
GLN L 145
GLU L 148
ARG L 416
 None
 1.04A 3s3nA-1kfuL:
undetectable		 3s3nA-1kfuL:
18.52
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.
1kjv MATURE ALPHA CHAIN
OF MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I
ANTIGEN (HEAVY
CHAIN)

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 ASP A 212
PRO A 210
GLU A 264
ARG A   6
 None
 0.96A 3s3nA-1kjvA:
undetectable		 3s3nA-1kjvA:
21.26
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		4 ASP A 294
GLY A 244
PRO A 187
GLU A 191
 None
 1.02A 3s3nA-1kpiA:
undetectable		 3s3nA-1kpiA:
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		4 ASP A 320
GLY A 333
GLN A 107
ARG A 371
 None
 0.96A 3s3nA-1oltA:
undetectable		 3s3nA-1oltA:
21.74
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.
1q9h CELLOBIOHYDROLASE I
CATALYTIC DOMAIN

(Rasamsonia
emersonii) 		PF00840
(Glyco_hydro_7) 		4 ASP A 211
GLY A 257
GLU A 214
ARG A 248
 None
 0.98A 3s3nA-1q9hA:
undetectable		 3s3nA-1q9hA:
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ASP A  82
ASP A 398
GLY A 401
ARG A 540
 None
 0.96A 3s3nA-1qlbA:
undetectable		 3s3nA-1qlbA:
21.81
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.
1txo PUTATIVE BACTERIAL
ENZYME

(Mycobacterium
tuberculosis) 		PF13672
(PP2C_2) 		4 ASP A 118
GLY A 192
GLN A 158
ARG A  20
 MN  A 702 (-2.7A)
MN  A 700 ( 4.9A)
None
None
 0.91A 3s3nA-1txoA:
undetectable		 3s3nA-1txoA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		4 ASP A 257
GLY A 270
PRO A 241
ARG A 108
 None
 0.86A 3s3nA-1u0kA:
undetectable		 3s3nA-1u0kA:
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.
1uls PUTATIVE
3-OXOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		4 ASP A  36
GLY A  12
PRO A  41
GLU A  38
 None
 0.96A 3s3nA-1ulsA:
undetectable		 3s3nA-1ulsA:
19.80
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 GLY A 207
PRO A 230
GLN A 233
GLU A 231
 None
 0.95A 3s3nA-1w1kA:
undetectable		 3s3nA-1w1kA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ASP A  71
GLY A  75
PRO A  67
ARG A 106
 None
 0.94A 3s3nA-1yb4A:
undetectable		 3s3nA-1yb4A:
21.93
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.
1yt3 RIBONUCLEASE D

(Escherichia
coli) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 ASP A  28
ASP A  85
GLN A 104
ARG A  33
 ZN  A1001 ( 2.9A)
ZN  A1002 (-2.1A)
None
None
 1.00A 3s3nA-1yt3A:
undetectable		 3s3nA-1yt3A:
21.54
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ASP A 230
GLY A 321
TYR A 179
GLN A 254
 None
 0.99A 3s3nA-1z8lA:
undetectable		 3s3nA-1z8lA:
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.
2aeu HYPOTHETICAL PROTEIN
MJ0158

(Methanocaldococcus
jannaschii) 		PF03841
(SelA) 		4 ASP A  74
ASP A  77
GLY A 220
GLU A  75
 None
 0.93A 3s3nA-2aeuA:
undetectable		 3s3nA-2aeuA:
21.54
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.
2drq XYLANASE Y

(Bacillus
halodurans) 		PF01270
(Glyco_hydro_8) 		4 ASP A  61
GLY A  63
GLU A  70
ARG A 353
 None
 1.02A 3s3nA-2drqA:
undetectable		 3s3nA-2drqA:
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.
2gbx BIPHENYL
2,3-DIOXYGENASE
ALPHA SUBUNIT

(Sphingobium
yanoikuyae) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 GLY A 401
TYR A 396
PRO A 394
ARG A 288
 None
 0.93A 3s3nA-2gbxA:
undetectable		 3s3nA-2gbxA:
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.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		4 ASP A 268
GLY A 266
GLU A 287
ARG A 253
 None
 1.03A 3s3nA-2i2xA:
undetectable		 3s3nA-2i2xA:
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 ASP A 207
GLY A 222
GLU A 187
ARG A 281
 None
None
None
SO4  A 418 (-2.9A)
 0.93A 3s3nA-2ip4A:
undetectable		 3s3nA-2ip4A:
21.49
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.
2j4r EXOPOLYPHOSPHATASE

(Aquifex
aeolicus) 		PF02541
(Ppx-GppA) 		4 ASP A 141
GLY A 210
GLU A 148
ARG A  22
 None
G4P  A1307 ( 3.7A)
None
G4P  A1307 (-3.5A)
 1.02A 3s3nA-2j4rA:
undetectable		 3s3nA-2j4rA:
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.
2nzi TITIN

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set) 		4 ASP A 169
GLY A 116
PRO A 162
GLN A 149
 None
 1.02A 3s3nA-2nziA:
undetectable		 3s3nA-2nziA:
24.94
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.
2o2z HYPOTHETICAL PROTEIN

(Bacillus
halodurans) 		PF01933
(UPF0052) 		4 ASP A  37
ASP A  56
GLY A  12
PRO A  54
 None
SO4  A 324 ( 4.6A)
SO4  A 324 (-2.6A)
None
 0.98A 3s3nA-2o2zA:
undetectable		 3s3nA-2o2zA:
23.53
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.
2pbh PROCATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		4 GLY A 205
TYR A 214
GLN A 237
GLU A 157
 None
 0.96A 3s3nA-2pbhA:
undetectable		 3s3nA-2pbhA:
20.98
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A 930
ASP A 922
GLY A 927
ARG A 609
 CA  A   3 (-3.1A)
CA  A   3 (-3.5A)
None
None
 0.92A 3s3nA-2rhpA:
undetectable		 3s3nA-2rhpA:
18.48
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.
2vkw NEURAL CELL ADHESION
MOLECULE 1,140 KDA
ISOFORM

(Homo sapiens) 		PF00041
(fn3) 		4 ASP A 625
GLY A 565
TYR A 572
PRO A 510
 None
 1.00A 3s3nA-2vkwA:
undetectable		 3s3nA-2vkwA:
19.60
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		4 ASP A  61
ASP A  60
GLY A  99
GLN A  57
 FMT  A 402 ( 4.1A)
FMT  A 402 ( 2.7A)
None
None
 0.93A 3s3nA-2wocA:
undetectable		 3s3nA-2wocA:
20.10
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.
2yet GH61 ISOZYME A

(Thermoascus
aurantiacus) 		PF03443
(Glyco_hydro_61) 		4 GLY A  46
PRO A 176
GLN A 177
GLU A 159
 None
 0.97A 3s3nA-2yetA:
undetectable		 3s3nA-2yetA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		4 ASP B 293
GLY B 296
PRO B 307
GLN B 308
 None
 1.03A 3s3nA-2yevB:
undetectable		 3s3nA-2yevB:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		4 ASP A 216
GLY A 260
GLU A 219
ARG A 251
 None
 1.03A 3s3nA-2yg1A:
undetectable		 3s3nA-2yg1A:
22.15
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.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		4 ASP A 285
GLY A 280
PRO A 290
ARG A 274
 None
None
None
SO4  A 513 (-4.2A)
 0.98A 3s3nA-2zm2A:
undetectable		 3s3nA-2zm2A:
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		4 ASP A 973
ASP A 975
GLY A 894
GLN A 983
 DGT  A1456 ( 2.7A)
MG  A   5 ( 2.4A)
DGT  A1456 (-3.1A)
None
 0.95A 3s3nA-3f2bA:
undetectable		 3s3nA-3f2bA:
17.66
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.
3f2k HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF01359
(Transposase_1) 		4 ASP A  38
ASP A 130
TYR A 157
PRO A 159
 MG  A 227 (-2.6A)
MG  A 227 (-2.5A)
None
None
 0.71A 3s3nA-3f2kA:
9.5		 3s3nA-3f2kA:
19.31
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
ASP A 116
GLY A 118
GLN A 148
 MG  A 211 (-2.6A)
MG  A 211 (-2.9A)
None
None
 0.75A 3s3nA-3f9kA:
undetectable		 3s3nA-3f9kA:
19.00
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
ASP A 116
GLY A 118
GLU A 152
 MG  A 211 (-2.6A)
MG  A 211 (-2.9A)
None
None
 1.01A 3s3nA-3f9kA:
undetectable		 3s3nA-3f9kA:
19.00
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.
3l2k EHPF

(Pantoea
agglomerans) 		PF00501
(AMP-binding) 		4 ASP A 286
GLY A 344
TYR A 307
GLN A 282
 None
 1.00A 3s3nA-3l2kA:
undetectable		 3s3nA-3l2kA:
23.53
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.
3m1r FORMIMIDOYLGLUTAMASE

(Bacillus
subtilis) 		PF00491
(Arginase) 		4 ASP A 150
ASP A 154
GLY A 166
TYR A 197
 CA  A 323 ( 2.7A)
CA  A 323 ( 2.5A)
None
None
 1.02A 3s3nA-3m1rA:
undetectable		 3s3nA-3m1rA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		4 GLY A 408
TYR A 577
GLN A 571
GLU A 572
 None
 1.02A 3s3nA-3opyA:
undetectable		 3s3nA-3opyA:
17.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oyn PFV INTEGRASE

(Simian foamy
virus) 		PF00665
(rve) 		7 ASP A 128
ASP A 185
GLY A 187
TYR A 212
PRO A 214
GLN A 215
GLU A 221
 MG  A 396 (-2.6A)
MG  A 396 ( 2.7A)
ZZX  A 398 ( 3.7A)
ZZX  A 398 ( 4.0A)
ZZX  A 398 (-4.1A)
ZZX  A 398 (-3.9A)
MG  A 397 ( 1.8A)
 0.33A 3s3nA-3oynA:
44.8		 3s3nA-3oynA:
99.49
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.
3ryk DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Bacillus
anthracis) 		PF00908
(dTDP_sugar_isom) 		4 ASP A  83
GLY A 120
TYR A 132
GLN A 110
 None
 1.03A 3s3nA-3rykA:
undetectable		 3s3nA-3rykA:
19.44
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 ASP A 706
ASP A 351
GLY A 354
ARG A 559
 MG  A1005 ( 4.7A)
ACP  A1001 ( 2.3A)
MG  A1005 ( 4.6A)
ACP  A1001 (-3.2A)
 1.01A 3s3nA-3tlmA:
undetectable		 3s3nA-3tlmA:
17.83
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ASP A 421
ASP A 424
GLY A 327
GLN A 428
 None
 0.98A 3s3nA-3ttfA:
3.8		 3s3nA-3ttfA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 ASP A  96
GLY A  99
PRO A 141
GLU A 142
 None
 1.00A 3s3nA-4a2lA:
undetectable		 3s3nA-4a2lA:
19.77
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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		4 ASP A 332
GLY A  40
GLN A 274
GLU A 275
 ZN  A 401 (-2.9A)
None
None
ZN  A 401 (-2.2A)
 0.75A 3s3nA-4bf7A:
undetectable		 3s3nA-4bf7A:
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.
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C)
PF13416
(SBP_bac_8) 		4 ASP A 437
GLY A 533
TYR A 342
PRO A 372
 None
 0.88A 3s3nA-4blaA:
undetectable		 3s3nA-4blaA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4csi CELLULASE

(Humicola grisea) 		PF00840
(Glyco_hydro_7) 		4 ASP A 215
GLY A 261
GLU A 218
ARG A 252
 PEG  A1439 ( 3.9A)
None
PEG  A1439 (-3.5A)
None
 0.97A 3s3nA-4csiA:
undetectable		 3s3nA-4csiA:
20.91
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		4 TYR A 216
PRO A 215
GLN A 269
GLU A 265
 None
 0.92A 3s3nA-4e8dA:
undetectable		 3s3nA-4e8dA:
21.05
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.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ASP A 691
GLY A 694
GLN A 651
GLU A 654
 None
 0.81A 3s3nA-4fd2A:
undetectable		 3s3nA-4fd2A:
20.96
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ASP A 746
ASP A 509
GLY A 512
ARG A 613
 ZN  A1003 (-2.4A)
ZN  A1003 (-2.2A)
None
None
 1.03A 3s3nA-4g9iA:
3.5		 3s3nA-4g9iA:
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.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 ASP A 235
GLY A 280
GLU A 238
ARG A 271
 None
None
CBI  A 501 ( 4.3A)
CBI  A 501 (-3.2A)
 1.03A 3s3nA-4haqA:
undetectable		 3s3nA-4haqA:
20.79
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		4 ASP A  59
GLY A  22
TYR A  14
ARG A  10
 LLP  A  58 ( 4.7A)
None
None
None
 0.92A 3s3nA-4il5A:
undetectable		 3s3nA-4il5A:
20.29
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36)
PF07504
(FTP) 		4 ASP B  89
GLY A 441
PRO A 399
GLN A 402
 None
CA  A 703 ( 4.5A)
None
None
 1.03A 3s3nA-4k90B:
undetectable		 3s3nA-4k90B:
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.
4mda MARINER MOS1
TRANSPOSASE

(Drosophila
mauritiana) 		PF01359
(Transposase_1) 		4 ASP A 156
ASP A 249
TYR A 276
PRO A 278
 MN  A 401 (-2.6A)
MN  A 401 ( 2.7A)
RLT  A 403 (-3.6A)
RLT  A 403 ( 4.9A)
 0.92A 3s3nA-4mdaA:
10.4		 3s3nA-4mdaA:
19.54
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.
4trg SIDC

(Legionella
pneumophila) 		no annotation 4 GLY A 392
PRO A 401
GLN A 425
GLU A 400
 None
 0.85A 3s3nA-4trgA:
undetectable		 3s3nA-4trgA:
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.
4twb RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		4 ASP A 216
ASP A 165
GLY A 167
GLN A 227
 None
 0.94A 3s3nA-4twbA:
undetectable		 3s3nA-4twbA:
23.50
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.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		4 ASP A 176
GLY A 177
TYR A 163
PRO A 161
 None
 0.98A 3s3nA-4tx1A:
undetectable		 3s3nA-4tx1A:
18.39
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.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus) 		PF00840
(Glyco_hydro_7) 		4 ASP A 214
GLY A 260
GLU A 217
ARG A 251
 None
None
U63  A1443 ( 4.3A)
U63  A1443 (-3.0A)
 0.98A 3s3nA-4v20A:
undetectable		 3s3nA-4v20A:
21.65
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.
4wsq AP2-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 176
ASP A 194
GLY A 196
GLN A 133
 ZN  A 403 (-3.2A)
ZN  A 403 ( 2.6A)
None
KSA  A 405 (-3.2A)
 1.00A 3s3nA-4wsqA:
undetectable		 3s3nA-4wsqA:
20.05
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.
4xeb GLUCANASE

(Talaromyces
funiculosus) 		PF00840
(Glyco_hydro_7) 		4 ASP A 211
GLY A 257
GLU A 214
ARG A 248
 K  A 506 ( 4.7A)
None
CBI  A 504 ( 4.4A)
CBI  A 504 (-2.8A)
 0.94A 3s3nA-4xebA:
undetectable		 3s3nA-4xebA:
19.83
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		4 ASP A 213
GLY A 259
GLU A 216
ARG A 250
 None
 1.00A 3s3nA-4zzpA:
undetectable		 3s3nA-4zzpA:
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.
5a8r METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA

(Methanothermobacter
marburgensis) 		PF02240
(MCR_gamma) 		4 ASP C 203
GLY C 205
TYR C 189
PRO C 201
 None
 0.94A 3s3nA-5a8rC:
undetectable		 3s3nA-5a8rC:
19.31
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 GLY C  85
TYR C  61
PRO C 520
ARG C  59
 None
 1.02A 3s3nA-5aa5C:
undetectable		 3s3nA-5aa5C:
20.41
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.
5aff RIBOSOMAL PROTEIN
L11
SYMPORTIN 1

(Chaetomium
thermophilum) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C)
no annotation 		4 ASP C 112
GLY C 114
GLN A 424
GLU C 109
 None
 1.03A 3s3nA-5affC:
undetectable		 3s3nA-5affC:
18.04
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.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		4 ASP A 214
GLY A 260
GLU A 217
ARG A 251
 None
 0.98A 3s3nA-5ampA:
undetectable		 3s3nA-5ampA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		4 ASP A1526
GLY A1523
TYR A1528
GLU A1687
 None
 1.01A 3s3nA-5amqA:
undetectable		 3s3nA-5amqA:
10.91
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		4 GLY A 459
TYR A 212
GLU A 129
ARG A 371
 None
 0.95A 3s3nA-5bxpA:
2.7		 3s3nA-5bxpA:
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		4 GLY A 195
PRO A 200
GLU A 326
ARG A 440
 None
 0.82A 3s3nA-5cd6A:
undetectable		 3s3nA-5cd6A:
22.69
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 ASP A 188
ASP A 295
GLY A 296
ARG A  61
 None
GGL  A 601 (-3.0A)
GGL  A 601 ( 4.3A)
GGL  A 601 (-2.9A)
 0.98A 3s3nA-5cniA:
2.2		 3s3nA-5cniA:
22.13
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.
5cr4 SLEEPING BEAUTY
TRANSPOSASE, SB100X

(synthetic
construct) 		PF01498
(HTH_Tnp_Tc3_2)
PF13358
(DDE_3) 		4 ASP A  43
ASP A 134
PRO A 163
GLU A 169
 GOL  A 317 (-4.2A)
SO4  A 309 ( 3.9A)
GOL  A 317 (-3.8A)
GOL  A 317 (-4.0A)
 0.59A 3s3nA-5cr4A:
11.1		 3s3nA-5cr4A:
21.72
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.
5d9a POLYMERASE BASIC
PROTEIN 2

(Influenza C
virus) 		PF00604
(Flu_PB2) 		4 ASP C 581
GLY C 578
GLU C 599
ARG C 757
 None
 1.01A 3s3nA-5d9aC:
undetectable		 3s3nA-5d9aC:
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		4 ASP A 390
GLY A  25
GLN A 398
GLU A 393
 None
 0.49A 3s3nA-5dqpA:
undetectable		 3s3nA-5dqpA:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 ASP A 224
GLY A 364
TYR A  39
GLU A 201
 ZN  A 806 (-2.7A)
ATP  A 801 (-3.1A)
ATP  A 801 (-4.8A)
ZN  A 806 ( 2.6A)
 0.90A 3s3nA-5e84A:
3.5		 3s3nA-5e84A:
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.
5e9u GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
gordonii) 		PF00534
(Glycos_transf_1) 		4 ASP A 110
GLY A 134
PRO A 107
ARG A 103
 None
 0.80A 3s3nA-5e9uA:
undetectable		 3s3nA-5e9uA:
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 ASP A 668
GLY A 670
PRO A 666
GLU A 665
 None
 0.57A 3s3nA-5ehkA:
undetectable		 3s3nA-5ehkA:
15.38
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.
5ejk GAG-PRO-POL
POLYPROTEIN

(Rous sarcoma
virus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  64
ASP A 121
GLY A 123
GLU A 157
 None
 0.61A 3s3nA-5ejkA:
19.1		 3s3nA-5ejkA:
23.23
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		4 ASP A 495
GLY A 497
GLU A 111
ARG A 572
 None
 1.02A 3s3nA-5haxA:
undetectable		 3s3nA-5haxA:
19.87
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.
5kar ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3B

(Mus musculus) 		PF00149
(Metallophos) 		5 ASP A  94
ASP A 136
GLY A 133
TYR A 151
GLN A 153
 None
 1.48A 3s3nA-5karA:
undetectable		 3s3nA-5karA:
22.78
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.
5kwd ANKYRIN
REPEAT-CONTAINING
PROTEIN

(Metallosphaera
yellowstonensis) 		PF12796
(Ank_2) 		5 ASP A 101
ASP A  99
GLY A  69
TYR A  75
ARG A  37
 None
 1.39A 3s3nA-5kwdA:
undetectable		 3s3nA-5kwdA:
18.93
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		5 ASP A1759
GLY A1762
PRO A1757
GLN A1633
GLU A1756
 None
 1.40A 3s3nA-5lkiA:
undetectable		 3s3nA-5lkiA:
9.96
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.
5lki TCDA1

(Photorhabdus
luminescens) 		PF03538
(VRP1) 		4 ASP A2382
GLY A1978
PRO A2487
GLN A2497
 None
 1.03A 3s3nA-5lkiA:
undetectable		 3s3nA-5lkiA:
9.96
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.
5ll1 URICASE

(Danio rerio) 		PF01014
(Uricase) 		4 GLY A 288
TYR A 189
PRO A 255
GLN A 257
 None
 1.03A 3s3nA-5ll1A:
undetectable		 3s3nA-5ll1A:
21.83
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.
5m0q INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ASP A  66
ASP A 118
GLY A 120
GLU A 154
 None
 0.78A 3s3nA-5m0qA:
17.4		 3s3nA-5m0qA:
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.
5mch CELLOBIOHYDROLASE
CHBI

(Daphnia pulex) 		PF00840
(Glyco_hydro_7) 		4 ASP A 238
GLY A 284
GLU A 241
ARG A 275
 GOL  A 501 (-2.9A)
None
GOL  A 501 (-3.5A)
None
 1.04A 3s3nA-5mchA:
undetectable		 3s3nA-5mchA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT GAMMA

(Methanothermococcus
thermolithotrophicus) 		PF02240
(MCR_gamma) 		4 ASP C 204
GLY C 206
TYR C 190
PRO C 202
 None
 1.00A 3s3nA-5n1qC:
undetectable		 3s3nA-5n1qC:
21.69
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ASP A 721
ASP A 680
TYR A 626
GLN A 606
 None
 0.96A 3s3nA-5ngyA:
undetectable		 3s3nA-5ngyA:
15.47
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 4 ASP A 214
GLY A 260
GLU A 217
ARG A 251
 BTB  A 604 ( 3.4A)
None
BTB  A 604 ( 3.0A)
None
 1.00A 3s3nA-5o5dA:
undetectable		 3s3nA-5o5dA:
10.84
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 ASP A 210
GLY A 228
TYR A 202
GLU A 178
 None
None
None
MG  A 701 ( 3.7A)
 0.91A 3s3nA-5tkyA:
3.2		 3s3nA-5tkyA:
20.16
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.
5ttx HYDROGENASE 2
MATURATION PEPTIDASE

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF01750
(HycI) 		4 ASP A  19
GLY A  18
PRO A  73
GLU A 139
 None
 0.87A 3s3nA-5ttxA:
undetectable		 3s3nA-5ttxA:
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		6 ASP A  64
ASP A 116
GLY A 118
TYR A 143
PRO A 145
GLN A 146
 MG  A 501 (-1.8A)
MG  A 501 (-2.8A)
None
None
None
None
 0.68A 3s3nA-5u1cA:
10.5		 3s3nA-5u1cA:
22.99
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.
5uvd NUCLEOTIDYLTRANSFERA
SE-LIKE PROTEIN

(Paracoccidioides
brasiliensis) 		no annotation 4 ASP A  48
ASP A  50
GLY A  31
ARG A 154
 MG  A 302 (-2.5A)
MG  A 302 (-2.5A)
None
None
 1.03A 3s3nA-5uvdA:
undetectable		 3s3nA-5uvdA:
12.00
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.
5vsn RYANODINE RECEPTOR 2

(Mus musculus) 		no annotation 4 ASP A1184
GLY A1187
GLN A1143
GLU A1150
 None
 1.02A 3s3nA-5vsnA:
undetectable		 3s3nA-5vsnA:
11.38
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 4 ASP A 215
GLY A 261
GLU A 218
ARG A 252
 None
None
CTR  A 506 ( 4.3A)
CTR  A 506 (-3.0A)
 0.97A 3s3nA-5w11A:
undetectable		 3s3nA-5w11A:
11.14
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.
5x6a ENDOGLUCANASE,
PUTATIVE

(Aspergillus
fumigatus) 		no annotation 4 GLY A  46
PRO A 176
GLN A 177
GLU A 159
 None
 0.97A 3s3nA-5x6aA:
undetectable		 3s3nA-5x6aA:
16.17
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 ASP A1731
GLY A1647
GLN A1739
GLU A1733
 None
 1.03A 3s3nA-5y29A:
undetectable		 3s3nA-5y29A:
10.60
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 4 GLY A 666
TYR A 459
PRO A 464
ARG A 673
 None
 0.91A 3s3nA-6azpA:
undetectable		 3s3nA-6azpA:
13.08
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.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 4 ASP A 795
GLY A 794
PRO A 111
GLN A 112
 None
 1.01A 3s3nA-6bogA:
undetectable		 3s3nA-6bogA:
12.63
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.
6gpc -

(-) 		no annotation 4 ASP A  94
GLY A  96
TYR A 104
PRO A  91
 None
None
ARG  A 301 (-4.3A)
None
 1.00A 3s3nA-6gpcA:
undetectable		 3s3nA-6gpcA:
undetectable