SIMILAR PATTERNS OF AMINO ACIDS FOR 3D9L_A_ACTA501_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 PRO A  79
PRO A  68
TYR A  40
TYR A  76
 None
 1.31A 3d9lA-1ileA:
undetectable
3d9lY-1ileA:
undetectable		 3d9lA-1ileA:
11.08
3d9lY-1ileA:
1.46
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PRO A  94
ILE A  92
PRO A  58
TYR A  57
 None
 1.12A 3d9lA-1m53A:
undetectable
3d9lY-1m53A:
undetectable		 3d9lA-1m53A:
13.11
3d9lY-1m53A:
2.56
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.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		4 PRO A 100
ILE A  99
PRO A  13
TYR A  97
 None
 1.24A 3d9lA-1p16A:
undetectable
3d9lY-1p16A:
undetectable		 3d9lA-1p16A:
14.43
3d9lY-1p16A:
4.78
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.
1rur IMMUNOGLOBULIN 13G5,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  51
PRO H  52
TYR H  52
TYR H  56
 None
 1.16A 3d9lA-1rurH:
undetectable
3d9lY-1rurH:
undetectable		 3d9lA-1rurH:
17.59
3d9lY-1rurH:
5.76
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.
1suw PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Archaeoglobus
fulgidus) 		PF01513
(NAD_kinase) 		4 PRO A 178
ILE A 177
PRO A 188
TYR A 189
 None
 1.19A 3d9lA-1suwA:
undetectable
3d9lY-1suwA:
undetectable		 3d9lA-1suwA:
20.08
3d9lY-1suwA:
3.21
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.
1szh HER-1 PROTEIN

(Caenorhabditis
elegans) 		PF09232
(Caenor_Her-1) 		4 PRO A  50
ILE A  51
PRO A 115
TYR A  66
 None
 1.21A 3d9lA-1szhA:
undetectable
3d9lY-1szhA:
undetectable		 3d9lA-1szhA:
21.26
3d9lY-1szhA:
8.82
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.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		4 PRO A 271
ILE A 145
PRO A 156
TYR A 147
 None
 1.39A 3d9lA-1urdA:
undetectable
3d9lY-1urdA:
undetectable		 3d9lA-1urdA:
14.59
3d9lY-1urdA:
3.39
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.
1ya0 SMG-7 TRANSCRIPT
VARIANT 2

(Homo sapiens) 		PF10373
(EST1_DNA_bind)
PF10374
(EST1) 		4 PRO A 490
ILE A 489
PRO A 391
TYR A 388
 None
 1.11A 3d9lA-1ya0A:
3.1
3d9lY-1ya0A:
undetectable		 3d9lA-1ya0A:
13.69
3d9lY-1ya0A:
5.43
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.
1yjd FAB FRAGMENT OF
5.11A1 ANTIBODY
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  34
PRO H  53
TYR H  52
TYR H  33
 None
 0.91A 3d9lA-1yjdH:
undetectable
3d9lY-1yjdH:
undetectable		 3d9lA-1yjdH:
18.22
3d9lY-1yjdH:
5.21
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.
1z0u PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Archaeoglobus
fulgidus) 		PF01513
(NAD_kinase) 		4 PRO A 178
ILE A 177
PRO A 188
TYR A 189
 None
 1.21A 3d9lA-1z0uA:
undetectable
3d9lY-1z0uA:
undetectable		 3d9lA-1z0uA:
18.35
3d9lY-1z0uA:
3.60
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.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 PRO A 232
ILE A 231
PRO A 251
TYR A 252
 None
 1.34A 3d9lA-1z68A:
undetectable
3d9lY-1z68A:
undetectable		 3d9lA-1z68A:
12.08
3d9lY-1z68A:
1.81
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		4 PRO A 459
ILE A 462
PRO A 402
TYR A 398
 None
None
None
UGA  A1101 (-4.5A)
 1.21A 3d9lA-1z7eA:
undetectable
3d9lY-1z7eA:
undetectable		 3d9lA-1z7eA:
12.76
3d9lY-1z7eA:
1.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9v CONSERVED
HYPOTHETICAL PROTEIN
MTH0776

(Methanothermobacter
thermautotrophicus) 		PF08979
(DUF1894) 		4 PRO A  58
ILE A  56
TYR A  16
TYR A  79
 None
 1.31A 3d9lA-1z9vA:
undetectable
3d9lY-1z9vA:
undetectable		 3d9lA-1z9vA:
21.62
3d9lY-1z9vA:
6.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bll PROTEIN YFBG

(Escherichia
coli) 		PF01370
(Epimerase) 		4 PRO A 459
ILE A 462
PRO A 402
TYR A 398
 None
 1.20A 3d9lA-2bllA:
undetectable
3d9lY-2bllA:
undetectable		 3d9lA-2bllA:
18.21
3d9lY-2bllA:
3.77
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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		4 PRO A  56
ILE A 157
PRO A 163
TYR A 161
 None
 1.21A 3d9lA-2btyA:
undetectable
3d9lY-2btyA:
undetectable		 3d9lA-2btyA:
19.43
3d9lY-2btyA:
3.70
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.
2cg8 DIHYDRONEOPTERIN
ALDOLASE
6-HYDROXYMETHYL-7,8-
DIHYDROPTERIN
SYNTHASE

(Streptococcus
pneumoniae) 		PF01288
(HPPK)
PF02152
(FolB) 		4 PRO A 260
ILE A 261
PRO A 250
TYR A 265
 None
 1.28A 3d9lA-2cg8A:
undetectable
3d9lY-2cg8A:
undetectable		 3d9lA-2cg8A:
18.75
3d9lY-2cg8A:
6.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2diw PUTATIVE RNA-BINDING
PROTEIN 16

(Homo sapiens) 		PF04818
(CTD_bind) 		4 PRO A  29
ILE A  30
PRO A  70
TYR A  73
 None
 0.32A 3d9lA-2diwA:
23.6
3d9lY-2diwA:
undetectable		 3d9lA-2diwA:
95.10
3d9lY-2diwA:
6.00
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.
2hi1 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE 2

(Salmonella
enterica) 		PF04166
(PdxA) 		4 PRO A 203
ILE A 205
TYR A 243
TYR A 260
 None
 1.37A 3d9lA-2hi1A:
undetectable
3d9lY-2hi1A:
undetectable		 3d9lA-2hi1A:
16.23
3d9lY-2hi1A:
3.14
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 PRO A 769
ILE A 781
PRO A 904
TYR A 780
 None
 1.03A 3d9lA-2i1yA:
undetectable
3d9lY-2i1yA:
undetectable		 3d9lA-2i1yA:
18.71
3d9lY-2i1yA:
2.99
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.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		4 PRO A  78
ILE A  73
TYR A  97
TYR A  76
 None
 1.40A 3d9lA-2ogiA:
undetectable
3d9lY-2ogiA:
undetectable		 3d9lA-2ogiA:
17.91
3d9lY-2ogiA:
4.37
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.
2pcp IMMUNOGLOBULIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE B  34
PRO B  52
TYR B  52
TYR B  33
 None
None
None
1PC  B 227 ( 3.5A)
 0.97A 3d9lA-2pcpB:
undetectable
3d9lY-2pcpB:
undetectable		 3d9lA-2pcpB:
20.27
3d9lY-2pcpB:
6.70
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.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 PRO A  24
ILE A  22
PRO A  15
TYR A  16
 None
 1.21A 3d9lA-2pq6A:
undetectable
3d9lY-2pq6A:
undetectable		 3d9lA-2pq6A:
13.49
3d9lY-2pq6A:
4.78
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 PRO A  53
ILE A  51
PRO A  17
TYR A  16
 None
 1.07A 3d9lA-2pwhA:
1.2
3d9lY-2pwhA:
undetectable		 3d9lA-2pwhA:
13.13
3d9lY-2pwhA:
2.88
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.
2qep RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE N2

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 PRO A 805
ILE A 817
PRO A 940
TYR A 816
 None
 1.05A 3d9lA-2qepA:
undetectable
3d9lY-2qepA:
undetectable		 3d9lA-2qepA:
19.67
3d9lY-2qepA:
4.88
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.
2qw5 XYLOSE
ISOMERASE-LIKE TIM
BARREL

(Trichormus
variabilis) 		PF01261
(AP_endonuc_2) 		4 PRO A 192
ILE A 131
PRO A 190
TYR A 133
 None
None
None
XLS  A 401 ( 3.8A)
 1.29A 3d9lA-2qw5A:
undetectable
3d9lY-2qw5A:
undetectable		 3d9lA-2qw5A:
16.27
3d9lY-2qw5A:
5.28
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.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		4 PRO A 259
ILE A 260
PRO A 253
TYR A 385
 None
 0.96A 3d9lA-2rjbA:
undetectable
3d9lY-2rjbA:
undetectable		 3d9lA-2rjbA:
16.70
3d9lY-2rjbA:
3.38
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 PRO A  90
PRO A  93
TYR A  94
TYR A 430
 SO4  A1611 (-3.6A)
None
SO4  A1610 (-3.9A)
None
 1.02A 3d9lA-2uvfA:
undetectable
3d9lY-2uvfA:
undetectable		 3d9lA-2uvfA:
13.32
3d9lY-2uvfA:
2.60
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.
2wtk STE20-RELATED KINASE
ADAPTER PROTEIN
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		4 PRO B 128
ILE B 130
PRO B 132
TYR B 210
 None
 1.33A 3d9lA-2wtkB:
undetectable
3d9lY-2wtkB:
undetectable		 3d9lA-2wtkB:
16.14
3d9lY-2wtkB:
3.89
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 PRO A 124
ILE A  47
PRO A 142
TYR A 126
 None
None
None
GOL  A 804 ( 3.8A)
 1.22A 3d9lA-2wzsA:
3.4
3d9lY-2wzsA:
undetectable		 3d9lA-2wzsA:
10.50
3d9lY-2wzsA:
2.06
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		4 PRO B 600
ILE B 599
TYR B 583
TYR B 598
 None
 1.34A 3d9lA-2xfgB:
undetectable
3d9lY-2xfgB:
undetectable		 3d9lA-2xfgB:
25.28
3d9lY-2xfgB:
7.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y4l MANNOSYLGLYCERATE
SYNTHASE

(Rhodothermus
marinus) 		no annotation 4 ILE A 211
PRO A 212
TYR A 210
TYR A 128
 None
 1.23A 3d9lA-2y4lA:
undetectable
3d9lY-2y4lA:
undetectable		 3d9lA-2y4lA:
16.58
3d9lY-2y4lA:
2.69
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.
2yy6 PHOSPHOGLYCOLATE
PHOSPHATASE

(Aquifex
aeolicus) 		PF13419
(HAD_2) 		4 PRO A  84
ILE A  86
PRO A  87
TYR A  88
 None
 1.29A 3d9lA-2yy6A:
undetectable
3d9lY-2yy6A:
undetectable		 3d9lA-2yy6A:
20.18
3d9lY-2yy6A:
6.00
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.
3axi OLIGO-1,6-GLUCOSIDAS
E IMA1

(Saccharomyces
cerevisiae) 		PF00128
(Alpha-amylase) 		4 PRO A  61
ILE A  59
PRO A  25
TYR A  24
 None
 1.11A 3d9lA-3axiA:
1.7
3d9lY-3axiA:
undetectable		 3d9lA-3axiA:
13.92
3d9lY-3axiA:
3.02
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.
3b9v HEAVY CHAIN VARIABLE
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 ILE A  34
PRO A  52
TYR A  52
TYR A  33
 None
 0.81A 3d9lA-3b9vA:
undetectable
3d9lY-3b9vA:
undetectable		 3d9lA-3b9vA:
17.09
3d9lY-3b9vA:
6.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bd9 HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
5

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 ILE A 169
PRO A 166
TYR A 244
TYR A 170
 None
 1.19A 3d9lA-3bd9A:
undetectable
3d9lY-3bd9A:
undetectable		 3d9lA-3bd9A:
17.54
3d9lY-3bd9A:
5.14
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 PRO A 628
ILE A 629
TYR A 630
TYR A 354
 None
 1.40A 3d9lA-3cihA:
3.2
3d9lY-3cihA:
undetectable		 3d9lA-3cihA:
11.77
3d9lY-3cihA:
2.01
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.
3cx3 LIPOPROTEIN

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		4 ILE A  47
PRO A  46
TYR A  45
TYR A  48
 None
 1.26A 3d9lA-3cx3A:
1.0
3d9lY-3cx3A:
undetectable		 3d9lA-3cx3A:
18.25
3d9lY-3cx3A:
4.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d9i RNA-BINDING PROTEIN
16

(Homo sapiens) 		PF04818
(CTD_bind) 		4 PRO A  20
ILE A  21
PRO A  61
TYR A  64
 SO4  A 150 (-4.7A)
None
None
SO4  A 150 (-4.6A)
 0.23A 3d9lA-3d9iA:
28.6
3d9lY-3d9iA:
undetectable		 3d9lA-3d9iA:
98.62
3d9lY-3d9iA:
10.96
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 PRO A 477
ILE A 480
PRO A 482
TYR A 481
 1PE  A2003 ( 4.9A)
None
None
None
 1.23A 3d9lA-3e2sA:
0.7
3d9lY-3e2sA:
undetectable		 3d9lA-3e2sA:
14.00
3d9lY-3e2sA:
2.62
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.
3elo PHOSPHOLIPASE A2

(Homo sapiens) 		PF00068
(Phospholip_A2_1) 		4 PRO A  14
ILE A  13
PRO A  18
TYR A 111
 None
 1.23A 3d9lA-3eloA:
undetectable
3d9lY-3eloA:
undetectable		 3d9lA-3eloA:
15.79
3d9lY-3eloA:
7.46
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.
3g7q VALINE-PYRUVATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		4 PRO A 395
ILE A 398
PRO A 393
TYR A 391
 None
 1.23A 3d9lA-3g7qA:
undetectable
3d9lY-3g7qA:
undetectable		 3d9lA-3g7qA:
15.38
3d9lY-3g7qA:
3.63
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PRO A  67
ILE A  65
PRO A  31
TYR A  30
 None
 1.00A 3d9lA-3gbdA:
undetectable
3d9lY-3gbdA:
undetectable		 3d9lA-3gbdA:
12.72
3d9lY-3gbdA:
4.05
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.
3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		4 PRO A 118
ILE A  84
PRO A  86
TYR A  83
 None
 1.04A 3d9lA-3h7jA:
undetectable
3d9lY-3h7jA:
undetectable		 3d9lA-3h7jA:
22.18
3d9lY-3h7jA:
5.29
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		4 PRO A  18
PRO A  20
TYR A  88
TYR A  15
 None
 1.16A 3d9lA-3h7nA:
3.5
3d9lY-3h7nA:
undetectable		 3d9lA-3h7nA:
10.29
3d9lY-3h7nA:
4.10
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.
3j8z H16.1A HEAVY CHAIN

(Mus musculus) 		no annotation 4 ILE H  51
PRO H  52
TYR H  52
TYR H  56
 None
 1.20A 3d9lA-3j8zH:
undetectable
3d9lY-3j8zH:
undetectable		 3d9lA-3j8zH:
17.86
3d9lY-3j8zH:
7.89
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.
3l6y CATENIN DELTA-1

(Homo sapiens) 		PF00514
(Arm) 		4 PRO A 656
ILE A 696
TYR A 692
TYR A 695
 None
 1.32A 3d9lA-3l6yA:
2.8
3d9lY-3l6yA:
undetectable		 3d9lA-3l6yA:
13.30
3d9lY-3l6yA:
1.76
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.
3mp6 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,LINKER,SAGA-
ASSOCIATED FACTOR 29

(Escherichia
coli;
Saccharomyces
cerevisiae;
unidentified) 		PF07039
(DUF1325)
PF13416
(SBP_bac_8) 		4 PRO A1121
PRO A1248
TYR A1195
TYR A1119
 None
 1.35A 3d9lA-3mp6A:
undetectable
3d9lY-3mp6A:
undetectable		 3d9lA-3mp6A:
13.79
3d9lY-3mp6A:
2.54
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.
3ntc FAB HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  51
PRO H  52
TYR H  52
TYR H  56
 None
 1.25A 3d9lA-3ntcH:
undetectable
3d9lY-3ntcH:
undetectable		 3d9lA-3ntcH:
17.70
3d9lY-3ntcH:
6.81
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.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2

(Saccharomyces
cerevisiae) 		PF10193
(Telomere_reg-2) 		4 PRO A  44
ILE A  89
PRO A  47
TYR A  46
 None
 1.39A 3d9lA-3o4zA:
3.1
3d9lY-3o4zA:
undetectable		 3d9lA-3o4zA:
12.48
3d9lY-3o4zA:
2.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p9w HUMAN VEGF

(Homo sapiens) 		PF07686
(V-set) 		4 ILE B  34
PRO B  52
TYR B  52
TYR B  33
 ILE  B  34 ( 0.6A)
PRO  B  52 ( 1.1A)
TYR  B  52 ( 1.3A)
TYR  B  33 ( 1.3A)
 0.77A 3d9lA-3p9wB:
undetectable
3d9lY-3p9wB:
undetectable		 3d9lA-3p9wB:
16.90
3d9lY-3p9wB:
8.13
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.
3q5m UPF0169 LIPOPROTEIN
YFIO

(Escherichia
coli) 		PF13525
(YfiO) 		4 ILE A  13
PRO A  10
TYR A  45
TYR A  14
 IOD  A 226 (-4.3A)
IOD  A 229 ( 4.8A)
None
None
 1.31A 3d9lA-3q5mA:
3.4
3d9lY-3q5mA:
undetectable		 3d9lA-3q5mA:
18.42
3d9lY-3q5mA:
4.91
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.
3q5m UPF0169 LIPOPROTEIN
YFIO

(Escherichia
coli) 		PF13525
(YfiO) 		4 PRO A   9
ILE A  13
TYR A  45
TYR A  14
 None
IOD  A 226 (-4.3A)
None
None
 1.14A 3d9lA-3q5mA:
3.4
3d9lY-3q5mA:
undetectable		 3d9lA-3q5mA:
18.42
3d9lY-3q5mA:
4.91
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.
3rg2 ENTEROBACTIN
SYNTHASE COMPONENT E
(ENTE),
2,3-DIHYDRO-2,3-DIHY
DROXYBENZOATE
SYNTHETASE,
ISOCHROISMATASE
(ENTB)

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF13193
(AMP-binding_C) 		4 ILE A 425
PRO A 358
TYR A 357
TYR A 424
 None
 1.26A 3d9lA-3rg2A:
undetectable
3d9lY-3rg2A:
undetectable		 3d9lA-3rg2A:
12.36
3d9lY-3rg2A:
2.76
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.
3s38 CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00116
(COX2)
PF09125
(COX2-transmemb) 		4 PRO B  94
ILE B  95
PRO B  92
TYR B  90
 None
 1.25A 3d9lA-3s38B:
undetectable
3d9lY-3s38B:
undetectable		 3d9lA-3s38B:
23.63
3d9lY-3s38B:
8.40
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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 PRO A   4
ILE A 127
PRO A   2
TYR A 122
 None
 1.34A 3d9lA-3sr3A:
undetectable
3d9lY-3sr3A:
undetectable		 3d9lA-3sr3A:
18.98
3d9lY-3sr3A:
5.83
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.
3tt1 MOUSE MONOCLONAL
1GG2A FAB FRAGMENT,
KAPPA LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  34
PRO H  53
TYR H  52
TYR H  33
 None
 0.98A 3d9lA-3tt1H:
undetectable
3d9lY-3tt1H:
undetectable		 3d9lA-3tt1H:
18.26
3d9lY-3tt1H:
6.06
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.
3wbd SINGLE CHAIN FV
FRAGMENT OF MAB735

(Mus musculus) 		PF07686
(V-set) 		4 ILE A 161
PRO A 180
TYR A 179
TYR A 160
 None
 1.04A 3d9lA-3wbdA:
undetectable
3d9lY-3wbdA:
undetectable		 3d9lA-3wbdA:
18.22
3d9lY-3wbdA:
4.47
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.
4ag4 MONOCLONAL ANTIBODY
3E3 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  51
PRO H  52
TYR H  52
TYR H  56
 None
 1.30A 3d9lA-4ag4H:
undetectable
3d9lY-4ag4H:
undetectable		 3d9lA-4ag4H:
19.16
3d9lY-4ag4H:
6.74
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.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 4 PRO A 155
PRO A 153
TYR A 152
TYR A 117
 None
 1.11A 3d9lA-4b2nA:
undetectable
3d9lY-4b2nA:
undetectable		 3d9lA-4b2nA:
10.39
3d9lY-4b2nA:
2.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 4 PRO A 476
ILE A 479
PRO A 485
TYR A 480
 None
 1.30A 3d9lA-4b2nA:
undetectable
3d9lY-4b2nA:
undetectable		 3d9lA-4b2nA:
10.39
3d9lY-4b2nA:
2.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccs CBIX

(Paracoccus
pantotrophus) 		PF01903
(CbiX) 		4 PRO A  90
ILE A  88
PRO A  61
TYR A  60
 None
 1.38A 3d9lA-4ccsA:
undetectable
3d9lY-4ccsA:
undetectable		 3d9lA-4ccsA:
12.78
3d9lY-4ccsA:
4.50
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.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		4 PRO B 158
PRO B 166
TYR B 167
TYR B 152
 None
 1.33A 3d9lA-4f6tB:
undetectable
3d9lY-4f6tB:
undetectable		 3d9lA-4f6tB:
19.10
3d9lY-4f6tB:
4.10
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.
4gvf BETA-HEXOSAMINIDASE

(Salmonella
enterica) 		PF00933
(Glyco_hydro_3) 		4 PRO A 221
ILE A 215
PRO A 223
TYR A 216
 None
 1.14A 3d9lA-4gvfA:
0.8
3d9lY-4gvfA:
undetectable		 3d9lA-4gvfA:
16.10
3d9lY-4gvfA:
4.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PRO A  94
ILE A  92
PRO A  58
TYR A  57
 None
 1.05A 3d9lA-4hozA:
undetectable
3d9lY-4hozA:
undetectable		 3d9lA-4hozA:
13.60
3d9lY-4hozA:
7.69
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.
4k5y CORTICOTROPIN-RELEAS
ING FACTOR RECEPTOR
1, T4-LYSOZYME
CHIMERIC CONSTRUCT

(Homo sapiens;
Escherichia
virus T4) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		4 PRO A 239
ILE A 242
PRO A 275
TYR A 272
 None
 1.20A 3d9lA-4k5yA:
1.4
3d9lY-4k5yA:
undetectable		 3d9lA-4k5yA:
16.18
3d9lY-4k5yA:
3.29
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.
4lhu 9C2 TCR GAMMA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PRO G 231
ILE G 232
PRO G 141
TYR G 154
 None
 1.18A 3d9lA-4lhuG:
undetectable
3d9lY-4lhuG:
undetectable		 3d9lA-4lhuG:
20.39
3d9lY-4lhuG:
7.04
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 PRO A 220
ILE A 279
PRO A 276
TYR A 218
 None
 1.00A 3d9lA-4nurA:
undetectable
3d9lY-4nurA:
undetectable		 3d9lA-4nurA:
12.48
3d9lY-4nurA:
2.16
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.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 4 PRO A 591
ILE A 589
PRO A 606
TYR A 626
 None
 1.36A 3d9lA-4oj5A:
undetectable
3d9lY-4oj5A:
undetectable		 3d9lA-4oj5A:
12.37
3d9lY-4oj5A:
2.70
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.
4q5r GLUTATHIONE
S-TRANSFERASE

(Blattella
germanica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 PRO A  18
ILE A  19
PRO A  53
TYR A   9
 None
None
GSH  A 301 (-4.3A)
None
 1.14A 3d9lA-4q5rA:
undetectable
3d9lY-4q5rA:
undetectable		 3d9lA-4q5rA:
22.33
3d9lY-4q5rA:
2.94
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.
4qn9 N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D

(Homo sapiens) 		PF12706
(Lactamase_B_2) 		4 PRO A 358
ILE A 308
PRO A 324
TYR A 311
 None
 1.15A 3d9lA-4qn9A:
undetectable
3d9lY-4qn9A:
undetectable		 3d9lA-4qn9A:
17.37
3d9lY-4qn9A:
5.58
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.
4rh0 SPORE PHOTOPRODUCT
LYASE

(Geobacillus
thermodenitrificans) 		no annotation 4 PRO A  85
ILE A  84
TYR A 125
TYR A  82
 None
 1.13A 3d9lA-4rh0A:
undetectable
3d9lY-4rh0A:
undetectable		 3d9lA-4rh0A:
16.89
3d9lY-4rh0A:
9.43
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 PRO A 168
ILE A 139
PRO A 136
TYR A 131
 None
 1.39A 3d9lA-4wn9A:
undetectable
3d9lY-4wn9A:
undetectable		 3d9lA-4wn9A:
13.00
3d9lY-4wn9A:
2.84
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.
4x4y HUMAN VARIABLE HEAVY
CHAIN OF HERCEPTIN

(Homo sapiens) 		PF07686
(V-set) 		4 ILE A  34
PRO A  53
TYR A  52
TYR A  33
 None
 1.11A 3d9lA-4x4yA:
undetectable
3d9lY-4x4yA:
undetectable		 3d9lA-4x4yA:
16.33
3d9lY-4x4yA:
5.65
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 4 PRO E  18
PRO E  20
TYR E  88
TYR E  15
 None
 1.25A 3d9lA-4xmmE:
undetectable
3d9lY-4xmmE:
undetectable		 3d9lA-4xmmE:
8.23
3d9lY-4xmmE:
3.99
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 PRO A 245
ILE A 277
PRO A 278
TYR A 279
 None
 1.36A 3d9lA-4zgvA:
undetectable
3d9lY-4zgvA:
undetectable		 3d9lA-4zgvA:
10.02
3d9lY-4zgvA:
1.52
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.
4zjs ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR,ACETYLCHOLI
NE RECEPTOR SUBUNIT
ALPHA,SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 PRO A 192
PRO A 194
TYR A 195
TYR A 188
 None
 1.15A 3d9lA-4zjsA:
undetectable
3d9lY-4zjsA:
undetectable		 3d9lA-4zjsA:
16.17
3d9lY-4zjsA:
5.24
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.
4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT

(Sulfurisphaera
tokodaii) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 PRO B  29
ILE B  50
PRO B  47
TYR B  49
 FAD  B 301 (-3.3A)
None
None
None
 0.97A 3d9lA-4zohB:
undetectable
3d9lY-4zohB:
undetectable		 3d9lA-4zohB:
19.00
3d9lY-4zohB:
4.69
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PRO A 337
ILE A 340
PRO A 680
TYR A 341
 None
 1.28A 3d9lA-4zohA:
undetectable
3d9lY-4zohA:
undetectable		 3d9lA-4zohA:
10.86
3d9lY-4zohA:
1.84
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN
NEQ263

(Nanoarchaeum
equitans;
Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
PF00006
(ATP-synt_ab) 		4 PRO A  86
ILE A  90
TYR B 102
TYR A  91
 None
 1.13A 3d9lA-5bn4A:
undetectable
3d9lY-5bn4A:
undetectable		 3d9lA-5bn4A:
13.16
3d9lY-5bn4A:
2.37
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.
5d93 HEAVY CHAIN OF FAB
FRAGMENT FROM A
MOUSE QSOX1-SPECIFIC
ANTIBODY

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE C  34
PRO C  53
TYR C  52
TYR C  33
 None
 0.81A 3d9lA-5d93C:
undetectable
3d9lY-5d93C:
undetectable		 3d9lA-5d93C:
18.26
3d9lY-5d93C:
6.38
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.
5f96 HEAVY CHAIN OF
ANTIBODY CH235.12

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  34
PRO H  52
TYR H  33
TYR H  50
 None
 1.27A 3d9lA-5f96H:
undetectable
3d9lY-5f96H:
undetectable		 3d9lA-5f96H:
16.52
3d9lY-5f96H:
6.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fod LEUCYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		no annotation 4 PRO A 555
ILE A 553
TYR A 406
TYR A 552
 None
 1.15A 3d9lA-5fodA:
undetectable
3d9lY-5fodA:
undetectable		 3d9lA-5fodA:
18.66
3d9lY-5fodA:
3.48
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.
5fof LEUCYL-TRNA
SYNTHETASE

(Plasmodium
knowlesi) 		no annotation 4 PRO A 435
ILE A 433
TYR A 331
TYR A 432
 None
 1.17A 3d9lA-5fofA:
undetectable
3d9lY-5fofA:
undetectable		 3d9lA-5fofA:
16.67
3d9lY-5fofA:
5.50
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 PRO A 245
ILE A 231
PRO A 232
TYR A 698
 None
 1.34A 3d9lA-5fp1A:
undetectable
3d9lY-5fp1A:
undetectable		 3d9lA-5fp1A:
12.30
3d9lY-5fp1A:
1.96
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.
5h3k SLR0280 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 4 PRO A 421
ILE A 456
PRO A 455
TYR A 423
 None
 1.37A 3d9lA-5h3kA:
undetectable
3d9lY-5h3kA:
undetectable		 3d9lA-5h3kA:
11.70
3d9lY-5h3kA:
2.62
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.
5h5l GLUTATHIONE
S-TRANSFERASE S2

(Nilaparvata
lugens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 PRO A  17
ILE A  18
PRO A  52
TYR A   8
 None
None
GSH  A 301 (-4.3A)
GSH  A 301 ( 4.9A)
 1.22A 3d9lA-5h5lA:
2.5
3d9lY-5h5lA:
undetectable		 3d9lA-5h5lA:
18.96
3d9lY-5h5lA:
8.74
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.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 ILE A 586
PRO A 587
TYR A 590
TYR A 595
 None
 1.25A 3d9lA-5ixqA:
undetectable
3d9lY-5ixqA:
undetectable		 3d9lA-5ixqA:
12.44
3d9lY-5ixqA:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 PRO A 564
ILE A 563
PRO A 587
TYR A 590
 None
 1.40A 3d9lA-5ixqA:
undetectable
3d9lY-5ixqA:
undetectable		 3d9lA-5ixqA:
12.44
3d9lY-5ixqA:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		4 PRO A 143
ILE A 145
PRO A 146
TYR A 148
 SO4  A 308 (-4.4A)
None
None
None
 1.39A 3d9lA-5n5dA:
undetectable
3d9lY-5n5dA:
undetectable		 3d9lA-5n5dA:
18.14
3d9lY-5n5dA:
5.47
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 PRO A 258
ILE A 242
PRO A 243
TYR A 714
 None
 1.37A 3d9lA-5necA:
undetectable
3d9lY-5necA:
undetectable		 3d9lA-5necA:
undetectable
3d9lY-5necA:
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.
5oc9 -

(-) 		no annotation 4 ILE A 365
PRO A 362
TYR A 336
TYR A 366
 None
 1.37A 3d9lA-5oc9A:
2.9
3d9lY-5oc9A:
undetectable		 3d9lA-5oc9A:
undetectable
3d9lY-5oc9A:
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.
5u7n CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		no annotation 4 PRO A  94
ILE A  95
PRO A  92
TYR A  90
 None
 1.20A 3d9lA-5u7nA:
undetectable
3d9lY-5u7nA:
undetectable		 3d9lA-5u7nA:
undetectable
3d9lY-5u7nA:
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.
5uqc DIHYDROPYRIMIDINASE-
RELATED PROTEIN 2

(Mus musculus) 		PF01979
(Amidohydro_1) 		4 ILE A 469
PRO A 470
TYR A 468
TYR A 135
 None
 1.25A 3d9lA-5uqcA:
undetectable
3d9lY-5uqcA:
undetectable		 3d9lA-5uqcA:
14.29
3d9lY-5uqcA:
2.28
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.
5vlp FAB7G7 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H  34
PRO H  53
TYR H  52
TYR H  33
 None
 1.01A 3d9lA-5vlpH:
undetectable
3d9lY-5vlpH:
undetectable		 3d9lA-5vlpH:
17.49
3d9lY-5vlpH:
5.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 PRO A  96
ILE A  80
PRO A 304
TYR A 309
 None
 1.00A 3d9lA-5x1nA:
undetectable
3d9lY-5x1nA:
undetectable		 3d9lA-5x1nA:
15.07
3d9lY-5x1nA:
2.85
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.
5xgl SOLUBLE
ACETYLCHOLINE
RECEPTOR

(Aplysia
californica) 		no annotation 4 PRO A 190
PRO A 192
TYR A 193
TYR A 186
 None
 1.05A 3d9lA-5xglA:
undetectable
3d9lY-5xglA:
undetectable		 3d9lA-5xglA:
undetectable
3d9lY-5xglA:
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.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 4 PRO A 590
ILE A 591
PRO A 371
TYR A 369
 None
 0.98A 3d9lA-5yrpA:
1.5
3d9lY-5yrpA:
undetectable		 3d9lA-5yrpA:
undetectable
3d9lY-5yrpA:
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.
6ap1 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4,PROTEIN
HCP1

(Pseudomonas
aeruginosa;
Saccharomyces
cerevisiae) 		no annotation 4 ILE A 296
PRO A 297
TYR A 295
TYR A 172
 None
 1.37A 3d9lA-6ap1A:
undetectable
3d9lY-6ap1A:
undetectable		 3d9lA-6ap1A:
undetectable
3d9lY-6ap1A:
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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 PRO A 618
ILE A 619
PRO A 225
TYR A 230
 None
 0.93A 3d9lA-6fwfA:
undetectable
3d9lY-6fwfA:
undetectable		 3d9lA-6fwfA:
undetectable
3d9lY-6fwfA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 4 PRO A 265
ILE A 263
TYR A 241
TYR A 243
 None
 1.35A 3d9lA-6gkvA:
undetectable
3d9lY-6gkvA:
undetectable		 3d9lA-6gkvA:
undetectable
3d9lY-6gkvA:
undetectable