SIMILAR PATTERNS OF AMINO ACIDS FOR 1EKJ_C_ACTC3004

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.
1a6y ORPHAN NUCLEAR
RECEPTOR NR1D1

(Homo sapiens) 		PF00105
(zf-C4) 		4 CYH A 101
ASP A 106
VAL A 103
GLY A 120
 ZN  A 550 (-2.3A)
None
ZN  A 550 ( 4.8A)
None
 1.06A 1ekjC-1a6yA:
undetectable
1ekjD-1a6yA:
undetectable		 1ekjC-1a6yA:
15.84
1ekjD-1a6yA:
15.84
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 GLN A 272
TYR A 266
VAL A 258
GLY A 323
 None
 1.08A 1ekjC-1aorA:
undetectable
1ekjD-1aorA:
undetectable		 1ekjC-1aorA:
17.02
1ekjD-1aorA:
17.02
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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 TYR A  92
ASP A 103
VAL A 105
GLY A 101
 None
 1.03A 1ekjC-1cb8A:
undetectable
1ekjD-1cb8A:
undetectable		 1ekjC-1cb8A:
15.93
1ekjD-1cb8A:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cit PROTEIN (ORPHAN
NUCLEAR RECEPTOR
NGFI-B)

(Rattus
norvegicus) 		PF00105
(zf-C4) 		4 CYH A 232
ASP A 237
VAL A 234
GLY A 251
 ZN  A 398 ( 2.7A)
None
ZN  A 398 ( 4.7A)
None
 1.01A 1ekjC-1citA:
undetectable
1ekjD-1citA:
undetectable		 1ekjC-1citA:
14.61
1ekjD-1citA:
14.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		4 CYH A 160
ASP A 162
VAL A 184
GLY A 224
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ACT  A3001 ( 4.9A)
ACT  A3001 (-3.4A)
 0.13A 1ekjC-1ekjA:
32.0
1ekjD-1ekjA:
32.9		 1ekjC-1ekjA:
100.00
1ekjD-1ekjA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gm1 PROTEIN TYROSINE
PHOSPHATASE

(Mus musculus) 		PF00595
(PDZ) 		4 GLN A 100
TYR A  43
VAL A  37
GLY A  41
 None
 1.20A 1ekjC-1gm1A:
undetectable
1ekjD-1gm1A:
undetectable		 1ekjC-1gm1A:
21.50
1ekjD-1gm1A:
21.50
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.
1i7o 4-HYDROXYPHENYLACETA
TE DEGRADATION
BIFUNCTIONAL
ISOMERASE/DECARBOXYL
ASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 CYH A 305
ASP A 307
VAL A 280
GLY A 394
 None
CA  A1001 (-3.3A)
None
CA  A1001 ( 4.7A)
 1.18A 1ekjC-1i7oA:
undetectable
1ekjD-1i7oA:
undetectable		 1ekjC-1i7oA:
19.68
1ekjD-1i7oA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iub FUCOSE-SPECIFIC
LECTIN

(Aleuria
aurantia) 		PF07938
(Fungal_lectin) 		4 GLN A  28
CYH A  80
VAL A  78
GLY A  55
 None
HG  A 421 (-2.4A)
None
None
 1.13A 1ekjC-1iubA:
undetectable
1ekjD-1iubA:
undetectable		 1ekjC-1iubA:
24.10
1ekjD-1iubA:
24.10
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.
1ju5 CRK

(Homo sapiens) 		PF00017
(SH2) 		4 TYR A  14
ASP A  39
VAL A  37
GLY A  16
 None
 1.12A 1ekjC-1ju5A:
undetectable
1ekjD-1ju5A:
undetectable		 1ekjC-1ju5A:
17.27
1ekjD-1ju5A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kn5 TRANSCRIPTION
REGULATORY PROTEIN
ADR6

(Saccharomyces
cerevisiae) 		PF01388
(ARID) 		4 TYR A  79
ASP A  52
VAL A  54
GLY A  50
 None
 1.14A 1ekjC-1kn5A:
undetectable
1ekjD-1kn5A:
undetectable		 1ekjC-1kn5A:
17.27
1ekjD-1kn5A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 GLN X 374
TYR X 303
VAL X  85
GLY X  88
 GLC  X1576 (-3.1A)
None
None
None
 1.22A 1ekjC-1ogoX:
undetectable
1ekjD-1ogoX:
undetectable		 1ekjC-1ogoX:
14.69
1ekjD-1ogoX:
14.69
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.
1r0o ECDYSONE RECEPTOR

(Drosophila
melanogaster) 		PF00105
(zf-C4) 		4 CYH B   7
ASP B  12
VAL B   9
GLY B  26
 ZN  B 350 (-2.5A)
None
ZN  B 350 ( 4.8A)
None
 1.03A 1ekjC-1r0oB:
undetectable
1ekjD-1r0oB:
undetectable		 1ekjC-1r0oB:
18.26
1ekjD-1r0oB:
18.26
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.
1r4n AMYLOID BETA
PRECURSOR
PROTEIN-BINDING
PROTEIN 1

(Homo sapiens) 		PF00899
(ThiF) 		4 CYH A 483
ASP A 453
VAL A 479
GLY A 455
 None
 1.04A 1ekjC-1r4nA:
1.2
1ekjD-1r4nA:
2.6		 1ekjC-1r4nA:
19.02
1ekjD-1r4nA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		4 GLN A 120
TYR A 221
VAL A 211
GLY A 214
 PTX  A 400 ( 3.1A)
PTX  A 400 (-3.7A)
None
None
 1.11A 1ekjC-1rgyA:
undetectable
1ekjD-1rgyA:
undetectable		 1ekjC-1rgyA:
19.78
1ekjD-1rgyA:
19.78
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.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLN A1143
CYH A1095
VAL A 997
GLY A1103
 None
 1.16A 1ekjC-1rpmA:
undetectable
1ekjD-1rpmA:
undetectable		 1ekjC-1rpmA:
21.68
1ekjD-1rpmA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua4 ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
furiosus) 		PF04587
(ADP_PFK_GK) 		4 GLN A 113
ASP A 440
VAL A 436
GLY A 111
 GLC  A1457 ( 2.8A)
BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.9A)
GLC  A1457 ( 3.5A)
 1.27A 1ekjC-1ua4A:
undetectable
1ekjD-1ua4A:
undetectable		 1ekjC-1ua4A:
19.01
1ekjD-1ua4A:
19.01
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.
1v4n 271AA LONG
HYPOTHETICAL
5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfurisphaera
tokodaii) 		PF01048
(PNP_UDP_1) 		4 TYR A 101
ASP A 159
VAL A 107
GLY A 161
 None
 0.94A 1ekjC-1v4nA:
undetectable
1ekjD-1v4nA:
undetectable		 1ekjC-1v4nA:
22.70
1ekjD-1v4nA:
22.70
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 TYR A 649
ASP A 675
VAL A 665
GLY A 677
 None
None
None
FON  A1003 (-3.5A)
 1.28A 1ekjC-1vrqA:
undetectable
1ekjD-1vrqA:
undetectable		 1ekjC-1vrqA:
13.17
1ekjD-1vrqA:
13.17
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.
1ynw VITAMIN D3 RECEPTOR

(Homo sapiens) 		PF00105
(zf-C4) 		4 CYH A  24
ASP A  29
VAL A  26
GLY A  43
 ZN  A 150 (-2.4A)
None
ZN  A 150 ( 4.4A)
None
 0.97A 1ekjC-1ynwA:
undetectable
1ekjD-1ynwA:
undetectable		 1ekjC-1ynwA:
18.81
1ekjD-1ynwA:
18.81
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.
1zkj EXTENDED-SPECTRUM
BETA-LACTAMASE

(Klebsiella
aerogenes) 		PF00144
(Beta-lactamase) 		4 GLN A 121
TYR A 223
VAL A 213
GLY A 216
 None
None
ACY  A1402 (-4.0A)
None
 1.06A 1ekjC-1zkjA:
undetectable
1ekjD-1zkjA:
undetectable		 1ekjC-1zkjA:
21.11
1ekjD-1zkjA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a7n L(+)-MANDELATE
DEHYDROGENASE

(Pseudomonas
putida;
Spinacia
oleracea) 		PF01070
(FMN_dh) 		4 CYH A 242
ASP A 238
VAL A 250
GLY A 232
 None
 1.28A 1ekjC-2a7nA:
undetectable
1ekjD-2a7nA:
undetectable		 1ekjC-2a7nA:
20.27
1ekjD-2a7nA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzl TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 14

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLN A1169
CYH A1121
VAL A1008
GLY A1129
 EDO  A2187 (-3.3A)
EDO  A2187 (-3.4A)
None
None
 1.17A 1ekjC-2bzlA:
undetectable
1ekjD-2bzlA:
undetectable		 1ekjC-2bzlA:
19.29
1ekjD-2bzlA:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		4 GLN A 347
ASP A 345
VAL A 392
GLY A 390
 None
 1.26A 1ekjC-2c4mA:
undetectable
1ekjD-2c4mA:
undetectable		 1ekjC-2c4mA:
15.25
1ekjD-2c4mA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c7s RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE KAPPA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLN A1131
CYH A1083
VAL A 985
GLY A1091
 None
ACT  A2156 (-3.1A)
None
None
 1.17A 1ekjC-2c7sA:
undetectable
1ekjD-2c7sA:
undetectable		 1ekjC-2c7sA:
23.12
1ekjD-2c7sA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 TYR A 282
ASP A  52
VAL A 265
GLY A  50
 None
 1.20A 1ekjC-2d1qA:
undetectable
1ekjD-2d1qA:
undetectable		 1ekjC-2d1qA:
18.96
1ekjD-2d1qA:
18.96
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.
2d7q FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		4 TYR A  83
ASP A  10
VAL A  14
GLY A  40
 None
 1.00A 1ekjC-2d7qA:
undetectable
1ekjD-2d7qA:
undetectable		 1ekjC-2d7qA:
21.08
1ekjD-2d7qA:
21.08
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.
2ebl COUP TRANSCRIPTION
FACTOR 1

(Homo sapiens) 		PF00105
(zf-C4) 		4 CYH A  10
ASP A  15
VAL A  12
GLY A  29
 ZN  A 191 (-2.3A)
None
ZN  A 191 ( 4.8A)
None
 1.00A 1ekjC-2eblA:
undetectable
1ekjD-2eblA:
undetectable		 1ekjC-2eblA:
18.39
1ekjD-2eblA:
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.
2h03 PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, B,

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLN A1952
CYH A1904
VAL A1801
GLY A1912
 None
3UN  A 401 (-3.3A)
None
None
 1.27A 1ekjC-2h03A:
undetectable
1ekjD-2h03A:
undetectable		 1ekjC-2h03A:
23.38
1ekjD-2h03A:
23.38
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.
2l3b CONSERVED PROTEIN
FOUND IN CONJUGATE
TRANSPOSON

(Bacteroides
thetaiotaomicron) 		PF12988
(DUF3872) 		4 TYR A  85
ASP A  55
VAL A  95
GLY A  58
 None
 1.23A 1ekjC-2l3bA:
undetectable
1ekjD-2l3bA:
undetectable		 1ekjC-2l3bA:
18.35
1ekjD-2l3bA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nll PROTEIN (THYROID
HORMONE RECEPTOR)

(Homo sapiens) 		PF00105
(zf-C4) 		4 CYH B 303
ASP B 308
VAL B 305
GLY B 322
 ZN  B 450 (-2.2A)
None
ZN  B 450 ( 4.9A)
None
 1.01A 1ekjC-2nllB:
undetectable
1ekjD-2nllB:
undetectable		 1ekjC-2nllB:
17.29
1ekjD-2nllB:
17.29
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.
2ooq RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE T

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 GLN A1154
CYH A1106
VAL A1008
GLY A1114
 None
 1.20A 1ekjC-2ooqA:
undetectable
1ekjD-2ooqA:
undetectable		 1ekjC-2ooqA:
22.30
1ekjD-2ooqA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pwz MALATE DEHYDROGENASE

(Escherichia
coli) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 TYR A 253
ASP A 302
VAL A 121
GLY A 176
 None
 1.27A 1ekjC-2pwzA:
2.3
1ekjD-2pwzA:
2.3		 1ekjC-2pwzA:
25.24
1ekjD-2pwzA:
25.24
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.
2q04 ACETOIN UTILIZATION
PROTEIN

(Exiguobacterium
sibiricum) 		PF00583
(Acetyltransf_1) 		4 GLN A   5
ASP A 122
VAL A 118
GLY A  22
 None
 1.14A 1ekjC-2q04A:
undetectable
1ekjD-2q04A:
undetectable		 1ekjC-2q04A:
18.78
1ekjD-2q04A:
18.78
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.
2qz6 BETA-LACTAMASE

(Pseudomonas
fluorescens) 		PF00144
(Beta-lactamase) 		4 GLN A 120
TYR A 222
VAL A 212
GLY A 215
 None
 1.12A 1ekjC-2qz6A:
undetectable
1ekjD-2qz6A:
undetectable		 1ekjC-2qz6A:
21.47
1ekjD-2qz6A:
21.47
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.
2vou 2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE

(Paenarthrobacter
nicotinovorans) 		PF00070
(Pyr_redox) 		4 GLN A 222
TYR A 206
VAL A  49
GLY A  47
 GOL  A1396 ( 2.8A)
GOL  A1396 (-4.8A)
FAD  A1395 (-3.7A)
None
 1.14A 1ekjC-2vouA:
undetectable
1ekjD-2vouA:
undetectable		 1ekjC-2vouA:
21.66
1ekjD-2vouA:
21.66
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.
2vzp EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF16990
(CBM_35) 		4 GLN A   7
ASP A 123
VAL A  31
GLY A  29
 CA  A1128 (-3.2A)
CA  A1128 (-3.2A)
None
CA  A1128 (-4.4A)
 1.22A 1ekjC-2vzpA:
undetectable
1ekjD-2vzpA:
undetectable		 1ekjC-2vzpA:
21.83
1ekjD-2vzpA:
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.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		4 CYH A  68
ASP A  70
VAL A  92
GLY A 128
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ACT  A1233 ( 4.1A)
ACT  A1233 (-3.4A)
 0.18A 1ekjC-2w3nA:
21.3
1ekjD-2w3nA:
21.4		 1ekjC-2w3nA:
27.91
1ekjD-2w3nA:
27.91
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.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		4 GLN A 115
ASP A  75
VAL A 112
GLY A 233
 None
 1.27A 1ekjC-2ylnA:
undetectable
1ekjD-2ylnA:
undetectable		 1ekjC-2ylnA:
24.58
1ekjD-2ylnA:
24.58
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.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		4 GLN A 120
TYR A 221
VAL A 211
GLY A 214
 None
 1.05A 1ekjC-2zc7A:
undetectable
1ekjD-2zc7A:
undetectable		 1ekjC-2zc7A:
19.78
1ekjD-2zc7A:
19.78
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.
3a1z HEMOLYMPH JUVENILE
HORMONE BINDING
PROTEIN

(Bombyx mori) 		PF06585
(JHBP) 		4 GLN A  73
TYR A 201
VAL A 126
GLY A 124
 None
 1.26A 1ekjC-3a1zA:
undetectable
1ekjD-3a1zA:
undetectable		 1ekjC-3a1zA:
23.62
1ekjD-3a1zA:
23.62
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.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		4 CYH D 111
ASP D 116
VAL D 113
GLY D 130
 ZN  D7121 (-2.3A)
None
ZN  D7121 ( 4.6A)
None
 1.21A 1ekjC-3dzuD:
undetectable
1ekjD-3dzuD:
undetectable		 1ekjC-3dzuD:
19.08
1ekjD-3dzuD:
19.08
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.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		4 CYH A  57
ASP A  59
VAL A  80
GLY A 116
 ZN  A   1 ( 2.3A)
ZN  A   1 ( 4.8A)
ACT  A 222 (-4.2A)
ACT  A 222 (-3.2A)
 0.22A 1ekjC-3eyxA:
21.4
1ekjD-3eyxA:
21.4		 1ekjC-3eyxA:
29.36
1ekjD-3eyxA:
29.36
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.
3feg CHOLINE/ETHANOLAMINE
KINASE

(Homo sapiens) 		PF01633
(Choline_kinase) 		4 CYH A 239
ASP A 276
VAL A 237
GLY A 274
 None
 1.25A 1ekjC-3fegA:
undetectable
1ekjD-3fegA:
undetectable		 1ekjC-3fegA:
21.20
1ekjD-3fegA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		4 TYR A 252
ASP A 250
VAL A 187
GLY A 248
 None
 1.26A 1ekjC-3gxoA:
2.1
1ekjD-3gxoA:
2.2		 1ekjC-3gxoA:
20.82
1ekjD-3gxoA:
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.
3hdb AAHIV

(Deinagkistrodon
acutus) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 TYR A 497
ASP A 604
VAL A 596
GLY A 594
 None
 1.26A 1ekjC-3hdbA:
undetectable
1ekjD-3hdbA:
undetectable		 1ekjC-3hdbA:
19.59
1ekjD-3hdbA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i2n WD REPEAT-CONTAINING
PROTEIN 92

(Homo sapiens) 		PF00400
(WD40) 		4 TYR A 289
ASP A 240
VAL A 238
GLY A 309
 None
 0.99A 1ekjC-3i2nA:
undetectable
1ekjD-3i2nA:
undetectable		 1ekjC-3i2nA:
19.89
1ekjD-3i2nA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus) 		PF01257
(2Fe-2S_thioredx) 		4 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
 None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
 0.85A 1ekjC-3i9v2:
undetectable
1ekjD-3i9v2:
undetectable		 1ekjC-3i9v2:
21.59
1ekjD-3i9v2:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 GLN A 265
TYR A 177
ASP A 181
GLY A 185
 LLX  A 400 ( 4.8A)
None
ZN  A 379 (-2.3A)
None
 1.22A 1ekjC-3maxA:
undetectable
1ekjD-3maxA:
undetectable		 1ekjC-3maxA:
21.45
1ekjD-3maxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppl ASPARTATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF12897
(Aminotran_MocR) 		4 GLN A  96
ASP A 237
VAL A 235
GLY A  91
 None
 0.78A 1ekjC-3pplA:
undetectable
1ekjD-3pplA:
undetectable		 1ekjC-3pplA:
20.79
1ekjD-3pplA:
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.
3q7p GTP-BINDING PROTEIN
RAD

(Homo sapiens) 		PF00071
(Ras) 		4 TYR A 127
ASP A 128
VAL A 142
GLY A 112
 None
 1.28A 1ekjC-3q7pA:
2.6
1ekjD-3q7pA:
2.5		 1ekjC-3q7pA:
22.81
1ekjD-3q7pA:
22.81
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.
3ucn CARBONIC ANHYDRASE

(Coccomyxa sp.
PA) 		PF00484
(Pro_CA) 		4 CYH A  47
ASP A  49
VAL A  71
GLY A 107
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
None
AZI  A 229 (-4.1A)
 0.24A 1ekjC-3ucnA:
21.6
1ekjD-3ucnA:
22.0		 1ekjC-3ucnA:
28.69
1ekjD-3ucnA:
28.69
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.
3ve2 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		4 GLN A 196
ASP A 191
VAL A 338
GLY A 214
 None
 1.25A 1ekjC-3ve2A:
undetectable
1ekjD-3ve2A:
undetectable		 1ekjC-3ve2A:
16.98
1ekjD-3ve2A:
16.98
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		4 TYR A 114
ASP A 123
VAL A 125
GLY A 121
 None
 0.96A 1ekjC-3vglA:
undetectable
1ekjD-3vglA:
undetectable		 1ekjC-3vglA:
23.64
1ekjD-3vglA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vyl L-RIBULOSE
3-EPIMERASE

(Mesorhizobium
loti) 		PF01261
(AP_endonuc_2) 		4 TYR A 234
ASP A 237
VAL A 205
GLY A 203
 None
 1.05A 1ekjC-3vylA:
undetectable
1ekjD-3vylA:
undetectable		 1ekjC-3vylA:
23.61
1ekjD-3vylA:
23.61
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.
3vzx HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Bacillus
subtilis) 		PF01884
(PcrB) 		4 TYR A  79
CYH A  62
ASP A  77
GLY A  75
 None
MG  A 701 ( 4.9A)
MG  A 706 ( 3.9A)
MG  A 705 ( 4.9A)
 1.15A 1ekjC-3vzxA:
undetectable
1ekjD-3vzxA:
undetectable		 1ekjC-3vzxA:
22.13
1ekjD-3vzxA:
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.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		4 TYR A 112
ASP A  88
VAL A  90
GLY A  86
 None
 1.13A 1ekjC-3wcxA:
undetectable
1ekjD-3wcxA:
2.0		 1ekjC-3wcxA:
21.50
1ekjD-3wcxA:
21.50
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 GLN A 183
TYR A 153
VAL A 230
GLY A 151
 None
 1.28A 1ekjC-3x0yA:
undetectable
1ekjD-3x0yA:
undetectable		 1ekjC-3x0yA:
18.27
1ekjD-3x0yA:
18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 GLN A 255
TYR A 166
ASP A 170
GLY A 174
 None
None
ZN  A 500 (-2.2A)
None
 1.25A 1ekjC-4a69A:
1.7
1ekjD-4a69A:
undetectable		 1ekjC-4a69A:
20.37
1ekjD-4a69A:
20.37
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.
4awe ENDO-BETA-D-1,4-MANN
ANASE

(Neurospora
sitophila) 		PF00150
(Cellulase) 		4 GLN A 345
TYR A  29
ASP A 359
GLY A  78
 CL  A1394 (-3.7A)
CL  A1394 (-4.7A)
CL  A1394 ( 4.5A)
CL  A1394 ( 3.9A)
 1.26A 1ekjC-4aweA:
undetectable
1ekjD-4aweA:
undetectable		 1ekjC-4aweA:
22.16
1ekjD-4aweA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		4 GLN A  99
ASP A 103
VAL A 105
GLY A 101
 PE4  A 512 (-4.3A)
None
None
None
 1.15A 1ekjC-4ayrA:
undetectable
1ekjD-4ayrA:
undetectable		 1ekjC-4ayrA:
18.00
1ekjD-4ayrA:
18.00
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.
4b52 BACILLOLYSIN

(Paenibacillus
polymyxa) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 GLN A 170
TYR A  69
VAL A 133
GLY A 128
 CA  A 402 (-2.9A)
None
None
None
 1.04A 1ekjC-4b52A:
undetectable
1ekjD-4b52A:
undetectable		 1ekjC-4b52A:
21.11
1ekjD-4b52A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		4 TYR A  72
ASP A 118
VAL A 120
GLY A  74
 None
 1.23A 1ekjC-4bq4A:
1.6
1ekjD-4bq4A:
1.5		 1ekjC-4bq4A:
14.88
1ekjD-4bq4A:
14.88
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		4 GLN A 281
TYR A 182
ASP A 186
GLY A 190
 None
None
ZN  A 500 (-2.3A)
None
 1.24A 1ekjC-4bz7A:
1.6
1ekjD-4bz7A:
1.7		 1ekjC-4bz7A:
19.87
1ekjD-4bz7A:
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		4 GLN A 264
TYR A 248
VAL A 526
GLY A 228
 None
 1.26A 1ekjC-4ci8A:
undetectable
1ekjD-4ci8A:
undetectable		 1ekjC-4ci8A:
17.88
1ekjD-4ci8A:
17.88
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLN A 586
TYR A  59
VAL A  52
GLY A  44
 None
 0.98A 1ekjC-4cw4A:
undetectable
1ekjD-4cw4A:
undetectable		 1ekjC-4cw4A:
17.53
1ekjD-4cw4A:
17.53
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.
4da5 CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		4 CYH A 303
ASP A 342
VAL A 301
GLY A 340
 None
 1.25A 1ekjC-4da5A:
undetectable
1ekjD-4da5A:
undetectable		 1ekjC-4da5A:
17.58
1ekjD-4da5A:
17.58
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.
4dad PUTATIVE PILUS
ASSEMBLY-RELATED
PROTEIN

(Burkholderia
pseudomallei) 		PF00072
(Response_reg) 		4 TYR A  27
ASP A 113
VAL A  21
GLY A  25
 None
 1.07A 1ekjC-4dadA:
undetectable
1ekjD-4dadA:
2.6		 1ekjC-4dadA:
19.91
1ekjD-4dadA:
19.91
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.
4dez DNA POLYMERASE IV 1

(Mycolicibacterium
smegmatis) 		PF00817
(IMS) 		4 GLN A 149
TYR A 110
ASP A 234
VAL A 237
 None
 0.90A 1ekjC-4dezA:
undetectable
1ekjD-4dezA:
undetectable		 1ekjC-4dezA:
19.89
1ekjD-4dezA:
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.
4e0b MALATE DEHYDROGENASE

(Vibrio
vulnificus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLN A 303
ASP A 307
VAL A 309
GLY A 305
 None
 1.24A 1ekjC-4e0bA:
undetectable
1ekjD-4e0bA:
undetectable		 1ekjC-4e0bA:
22.78
1ekjD-4e0bA:
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.
4e0b MALATE DEHYDROGENASE

(Vibrio
vulnificus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 TYR A 252
ASP A 301
VAL A 121
GLY A 176
 None
 1.27A 1ekjC-4e0bA:
undetectable
1ekjD-4e0bA:
undetectable		 1ekjC-4e0bA:
22.78
1ekjD-4e0bA:
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		4 CYH A 112
ASP A  99
VAL A 105
GLY A 103
 None
 1.18A 1ekjC-4e1eA:
undetectable
1ekjD-4e1eA:
undetectable		 1ekjC-4e1eA:
20.27
1ekjD-4e1eA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 GLN A 149
ASP A 153
VAL A 155
GLY A 151
 None
 1.23A 1ekjC-4ee9A:
undetectable
1ekjD-4ee9A:
undetectable		 1ekjC-4ee9A:
22.09
1ekjD-4ee9A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 TYR A  77
ASP A  43
VAL A  95
GLY A  39
 None
 1.18A 1ekjC-4im7A:
2.7
1ekjD-4im7A:
1.9		 1ekjC-4im7A:
18.86
1ekjD-4im7A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k1c VACUOLAR CALCIUM ION
TRANSPORTER

(Saccharomyces
cerevisiae) 		PF01699
(Na_Ca_ex) 		4 GLN A 118
ASP A 276
VAL A 278
GLY A 273
 None
 0.97A 1ekjC-4k1cA:
undetectable
1ekjD-4k1cA:
undetectable		 1ekjC-4k1cA:
20.28
1ekjD-4k1cA:
20.28
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.
4kf7 NUP188

(Thermothelomyces
thermophila) 		PF10487
(Nup188) 		4 TYR A 736
ASP A 731
VAL A 723
GLY A 728
 None
 1.13A 1ekjC-4kf7A:
undetectable
1ekjD-4kf7A:
undetectable		 1ekjC-4kf7A:
10.95
1ekjD-4kf7A:
10.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		4 GLN A 120
TYR A 222
VAL A 212
GLY A 215
 None
 0.99A 1ekjC-4u0tA:
undetectable
1ekjD-4u0tA:
undetectable		 1ekjC-4u0tA:
20.99
1ekjD-4u0tA:
20.99
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.
4umm ECDYSONE RECEPTOR

(Heliothis
virescens) 		PF00105
(zf-C4) 		4 CYH E 147
ASP E 152
VAL E 149
GLY E 166
 None
 0.99A 1ekjC-4ummE:
undetectable
1ekjD-4ummE:
undetectable		 1ekjC-4ummE:
18.78
1ekjD-4ummE:
18.78
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00144
(Beta-lactamase) 		4 GLN A 146
TYR A 249
VAL A 239
GLY A 242
 OP0  A 401 (-3.0A)
OP0  A 401 (-3.6A)
None
None
 1.09A 1ekjC-4x68A:
undetectable
1ekjD-4x68A:
undetectable		 1ekjC-4x68A:
22.31
1ekjD-4x68A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xg1 DIAMINOPIMELATE
DECARBOXYLASE

(Psychromonas
ingrahamii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 TYR A 367
ASP A 305
VAL A 287
GLY A  27
 None
 1.19A 1ekjC-4xg1A:
undetectable
1ekjD-4xg1A:
undetectable		 1ekjC-4xg1A:
19.04
1ekjD-4xg1A:
19.04
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.
4ys6 PUTATIVE
SOLUTE-BINDING
COMPONENT OF ABC
TRANSPORTER

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		4 GLN A  28
TYR A 333
ASP A 253
VAL A 257
 None
 0.97A 1ekjC-4ys6A:
2.9
1ekjD-4ys6A:
2.8		 1ekjC-4ys6A:
21.02
1ekjD-4ys6A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		4 GLN A 116
CYH A  51
VAL A  52
GLY A 119
 None
 1.06A 1ekjC-4z4lA:
undetectable
1ekjD-4z4lA:
undetectable		 1ekjC-4z4lA:
18.07
1ekjD-4z4lA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zcs CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Plasmodium
falciparum) 		PF01467
(CTP_transf_like) 		4 TYR A 626
CYH A 690
ASP A 623
VAL A 653
 CDC  A 801 (-4.3A)
CDC  A 801 ( 4.9A)
CDC  A 801 (-3.5A)
None
 1.14A 1ekjC-4zcsA:
undetectable
1ekjD-4zcsA:
undetectable		 1ekjC-4zcsA:
19.30
1ekjD-4zcsA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 TYR A  76
ASP A 138
VAL A 140
GLY A 136
 None
CA  A1318 (-3.2A)
None
None
 1.26A 1ekjC-5a3yA:
undetectable
1ekjD-5a3yA:
undetectable		 1ekjC-5a3yA:
17.10
1ekjD-5a3yA:
17.10
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		4 CYH A  42
ASP A  44
VAL A  66
GLY A 102
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
CO2  A 302 (-4.0A)
CO2  A 302 ( 4.5A)
 0.19A 1ekjC-5bq1A:
22.0
1ekjD-5bq1A:
22.2		 1ekjC-5bq1A:
28.63
1ekjD-5bq1A:
28.63
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.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		4 CYH A  42
ASP A  44
VAL A  66
GLY A 103
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
CO2  A 302 (-4.0A)
CO2  A 302 (-3.7A)
 0.98A 1ekjC-5bq1A:
22.0
1ekjD-5bq1A:
22.2		 1ekjC-5bq1A:
28.63
1ekjD-5bq1A:
28.63
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.
5e9g ISOCITRATE LYASE

(Magnaporthe
oryzae) 		PF00463
(ICL) 		4 GLN A 166
ASP A 507
VAL A 509
GLY A 505
 None
 1.20A 1ekjC-5e9gA:
undetectable
1ekjD-5e9gA:
undetectable		 1ekjC-5e9gA:
17.76
1ekjD-5e9gA:
17.76
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.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00144
(Beta-lactamase) 		4 GLN B 119
TYR B 221
VAL B 211
GLY B 214
 None
 1.15A 1ekjC-5eviB:
undetectable
1ekjD-5eviB:
undetectable		 1ekjC-5eviB:
21.35
1ekjD-5eviB:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 TYR A  76
ASP A 138
VAL A 140
GLY A 136
 None
CA  A1321 (-3.2A)
None
None
 1.24A 1ekjC-5fxnA:
undetectable
1ekjD-5fxnA:
undetectable		 1ekjC-5fxnA:
19.81
1ekjD-5fxnA:
19.81
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		4 TYR A 206
ASP A 421
VAL A 423
GLY A 419
 None
 1.22A 1ekjC-5gkqA:
undetectable
1ekjD-5gkqA:
undetectable		 1ekjC-5gkqA:
16.62
1ekjD-5gkqA:
16.62
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.
5hkj COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
A,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
C,COMPLEMENT C1Q
SUBCOMPONENT SUBUNIT
B

(Homo sapiens) 		PF00386
(C1q) 		4 GLN A 237
CYH A 185
VAL A 187
GLY A 189
 None
 1.21A 1ekjC-5hkjA:
undetectable
1ekjD-5hkjA:
undetectable		 1ekjC-5hkjA:
22.16
1ekjD-5hkjA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0y EUKARYOTIC
INITIATION FACTOR 2
GAMMA SUBUNIT
(EIF2-GAMMA)

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		4 CYH S 361
ASP S 276
VAL S 291
GLY S 289
 None
None
A  N  75 ( 4.5A)
None
 1.24A 1ekjC-5k0yS:
undetectable
1ekjD-5k0yS:
undetectable		 1ekjC-5k0yS:
22.52
1ekjD-5k0yS:
22.52
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.
5npu ANC27

(synthetic
construct) 		no annotation 4 TYR A 261
ASP A 275
VAL A 270
GLY A 263
 None
 1.12A 1ekjC-5npuA:
2.1
1ekjD-5npuA:
undetectable		 1ekjC-5npuA:
undetectable
1ekjD-5npuA:
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.
5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC

(Arabidopsis
thaliana) 		no annotation 4 GLN A 113
TYR A 110
VAL A 129
GLY A  89
 NAD  A 401 (-3.8A)
None
None
NAD  A 401 (-3.3A)
 1.27A 1ekjC-5nueA:
undetectable
1ekjD-5nueA:
undetectable		 1ekjC-5nueA:
undetectable
1ekjD-5nueA:
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.
5nws SAACMM

(Streptomyces
antibioticus) 		no annotation 4 GLN A 340
TYR A  40
VAL A 344
GLY A 422
 None
 1.17A 1ekjC-5nwsA:
undetectable
1ekjD-5nwsA:
undetectable		 1ekjC-5nwsA:
undetectable
1ekjD-5nwsA:
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 4 GLN A 116
ASP A 443
VAL A 439
GLY A 114
 GLC  A 503 (-3.0A)
GLC  A 503 (-2.6A)
GLC  A 503 ( 4.8A)
GLC  A 503 (-3.5A)
 1.28A 1ekjC-5o0jA:
undetectable
1ekjD-5o0jA:
undetectable		 1ekjC-5o0jA:
undetectable
1ekjD-5o0jA:
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 GLN B 452
TYR B 454
VAL B 499
GLY B 505
 None
None
GOL  B 704 (-4.4A)
None
 1.26A 1ekjC-5swiB:
undetectable
1ekjD-5swiB:
undetectable		 1ekjC-5swiB:
14.74
1ekjD-5swiB:
14.74
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 GLN A 263
TYR A 174
ASP A 178
GLY A 182
 None
None
ZN  A 401 ( 2.3A)
None
 1.28A 1ekjC-5vi6A:
1.7
1ekjD-5vi6A:
1.7		 1ekjC-5vi6A:
19.74
1ekjD-5vi6A:
19.74
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.
5ze8 CYTOCHROME C552

(Thermochromatium
tepidum) 		no annotation 4 GLN A  55
ASP A 269
VAL A 263
GLY A 265
 None
 1.23A 1ekjC-5ze8A:
undetectable
1ekjD-5ze8A:
undetectable		 1ekjC-5ze8A:
undetectable
1ekjD-5ze8A:
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.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 TYR A 252
ASP A 301
VAL A 121
GLY A 176
 None
 1.23A 1ekjC-6aooA:
undetectable
1ekjD-6aooA:
undetectable		 1ekjC-6aooA:
22.61
1ekjD-6aooA:
22.61
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 4 TYR A 485
ASP A 523
VAL A 520
GLY A 513
 None
 1.15A 1ekjC-6b6lA:
undetectable
1ekjD-6b6lA:
undetectable		 1ekjC-6b6lA:
15.66
1ekjD-6b6lA:
15.66