SIMILAR PATTERNS OF AMINO ACIDS FOR 1EKJ_C_ACTC3007_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.
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
 1.03A 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 VAL A 258
GLY A 323
GLN A 272
TYR A 266
 None
 1.09A 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 ASP A 103
VAL A 105
GLY A 101
TYR A  92
 None
 1.04A 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
 0.98A 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)
 0.11A 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 VAL A  37
GLY A  41
GLN A 100
TYR A  43
 None
 1.27A 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)
 1.17A 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.
1ju5 CRK

(Homo sapiens) 		PF00017
(SH2) 		4 ASP A  39
VAL A  37
GLY A  16
TYR A  14
 None
 1.11A 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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		4 ASP A 136
VAL A 138
GLY A 134
TYR A  93
 None
 1.27A 1ekjC-1kehA:
undetectable
1ekjD-1kehA:
undetectable		 1ekjC-1kehA:
15.87
1ekjD-1kehA:
15.87
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.
1kn5 TRANSCRIPTION
REGULATORY PROTEIN
ADR6

(Saccharomyces
cerevisiae) 		PF01388
(ARID) 		4 ASP A  52
VAL A  54
GLY A  50
TYR A  79
 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.
1qfh PROTEIN (GELATION
FACTOR)

(Dictyostelium
discoideum) 		PF00630
(Filamin) 		4 ASP A 666
VAL A 664
GLY A 725
TYR A 727
 None
 1.27A 1ekjC-1qfhA:
undetectable
1ekjD-1qfhA:
undetectable		 1ekjC-1qfhA:
23.27
1ekjD-1qfhA:
23.27
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.
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
 1.00A 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
 1.03A 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.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 CYH A1095
VAL A 997
GLY A1103
GLN A1143
 None
 1.14A 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 ASP A 440
VAL A 436
GLY A 111
GLN A 113
 BGC  A2457 ( 2.7A)
BGC  A2457 ( 4.9A)
GLC  A1457 ( 3.5A)
GLC  A1457 ( 2.8A)
 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 ASP A 159
VAL A 107
GLY A 161
TYR A 101
 None
 0.93A 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 ASP A 675
VAL A 665
GLY A 677
TYR A 649
 None
None
FON  A1003 (-3.5A)
None
 1.25A 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
 0.96A 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 VAL A 213
GLY A 216
GLN A 121
TYR A 223
 ACY  A1402 (-4.0A)
None
None
None
 1.13A 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.
2atx SMALL GTP BINDING
PROTEIN TC10

(Homo sapiens) 		PF00071
(Ras) 		4 ASP A  90
VAL A  21
GLY A  68
TYR A  70
 None
 1.29A 1ekjC-2atxA:
3.5
1ekjD-2atxA:
3.6		 1ekjC-2atxA:
22.67
1ekjD-2atxA:
22.67
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.
2bzl TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 14

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 CYH A1121
VAL A1008
GLY A1129
GLN A1169
 EDO  A2187 (-3.4A)
None
None
EDO  A2187 (-3.3A)
 1.14A 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 ASP A 345
VAL A 392
GLY A 390
GLN A 347
 None
 1.27A 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 CYH A1083
VAL A 985
GLY A1091
GLN A1131
 ACT  A2156 (-3.1A)
None
None
None
 1.14A 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.
2d7q FILAMIN-C

(Homo sapiens) 		PF00630
(Filamin) 		4 ASP A  10
VAL A  14
GLY A  40
TYR A  83
 None
 0.95A 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.
2dmi TEASHIRT HOMOLOG 3

(Homo sapiens) 		PF00096
(zf-C2H2)
PF12756
(zf-C2H2_2) 		4 CYH A  22
ASP A  24
GLY A  43
TYR A  45
 ZN  A 200 (-2.2A)
None
None
None
 1.26A 1ekjC-2dmiA:
undetectable
1ekjD-2dmiA:
undetectable		 1ekjC-2dmiA:
21.62
1ekjD-2dmiA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
HEAVY CHAIN

(Daboia
siamensis) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 ASP A 417
VAL A 408
GLY A 406
TYR A 309
 None
 1.29A 1ekjC-2e3xA:
undetectable
1ekjD-2e3xA:
undetectable		 1ekjC-2e3xA:
17.40
1ekjD-2e3xA:
17.40
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.
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
 0.96A 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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 ASP A 676
VAL A 666
GLY A 678
TYR A 650
 None
 1.27A 1ekjC-2gahA:
undetectable
1ekjD-2gahA:
undetectable		 1ekjC-2gahA:
12.79
1ekjD-2gahA:
12.79
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.
2h03 PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, B,

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 CYH A1904
VAL A1801
GLY A1912
GLN A1952
 3UN  A 401 (-3.3A)
None
None
None
 1.23A 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 ASP A  55
GLY A  58
GLN A  93
TYR A  85
 None
 1.27A 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.
2l3b CONSERVED PROTEIN
FOUND IN CONJUGATE
TRANSPOSON

(Bacteroides
thetaiotaomicron) 		PF12988
(DUF3872) 		4 ASP A  55
VAL A  95
GLY A  58
TYR A  85
 None
 1.24A 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
 0.99A 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 CYH A1106
VAL A1008
GLY A1114
GLN A1154
 None
 1.18A 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 ASP A 302
VAL A 121
GLY A 176
TYR A 253
 None
 1.28A 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 ASP A 122
VAL A 118
GLY A  22
GLN A   5
 None
 1.17A 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 VAL A 212
GLY A 215
GLN A 120
TYR A 222
 None
 1.13A 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 VAL A  49
GLY A  47
GLN A 222
TYR A 206
 FAD  A1395 (-3.7A)
None
GOL  A1396 ( 2.8A)
GOL  A1396 (-4.8A)
 1.15A 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 ASP A 123
VAL A  31
GLY A  29
GLN A   7
 CA  A1128 (-3.2A)
None
CA  A1128 (-4.4A)
CA  A1128 (-3.2A)
 1.18A 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)
 0.17A 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.
2xtl CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		4 VAL A 535
GLY A 474
GLN A 591
TYR A 515
 None
 1.24A 1ekjC-2xtlA:
undetectable
1ekjD-2xtlA:
undetectable		 1ekjC-2xtlA:
19.08
1ekjD-2xtlA:
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)
 0.20A 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
 1.22A 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 ASP A 250
VAL A 187
GLY A 248
TYR A 252
 None
 1.24A 1ekjC-3gxoA:
2.2
1ekjD-3gxoA:
2.1		 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 ASP A 604
VAL A 596
GLY A 594
TYR A 497
 None
 1.22A 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 ASP A 240
VAL A 238
GLY A 309
TYR A 289
 None
 1.06A 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 CYH 2  83
VAL 2 133
GLY 2 126
TYR 2 141
 FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
None
 0.84A 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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus) 		PF01257
(2Fe-2S_thioredx) 		4 CYH 2  88
VAL 2 133
GLY 2 126
TYR 2 141
 FES  2 182 (-2.3A)
None
FES  2 182 (-4.3A)
None
 1.29A 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 ASP A 181
GLY A 185
GLN A 265
TYR A 177
 ZN  A 379 (-2.3A)
None
LLX  A 400 ( 4.8A)
None
 1.19A 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 ASP A 237
VAL A 235
GLY A  91
GLN A  96
 None
 0.80A 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 ASP A 128
VAL A 142
GLY A 112
TYR A 127
 None
 1.25A 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)
 0.23A 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 ASP A 191
VAL A 338
GLY A 214
GLN A 196
 None
 1.23A 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 ASP A 123
VAL A 125
GLY A 121
TYR A 114
 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 ASP A 237
VAL A 205
GLY A 203
TYR A 234
 None
 1.09A 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 CYH A  62
ASP A  77
GLY A  75
TYR A  79
 MG  A 701 ( 4.9A)
MG  A 706 ( 3.9A)
MG  A 705 ( 4.9A)
None
 1.12A 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 ASP A  88
VAL A  90
GLY A  86
TYR A 112
 None
 1.13A 1ekjC-3wcxA:
undetectable
1ekjD-3wcxA:
1.8		 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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ASP A 170
GLY A 174
GLN A 255
TYR A 166
 ZN  A 500 (-2.2A)
None
None
None
 1.22A 1ekjC-4a69A:
undetectable
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		4 ASP A 103
VAL A 105
GLY A 101
GLN A  99
 None
None
None
PE4  A 512 (-4.3A)
 1.13A 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 ASP A 131
VAL A 133
GLN A 170
TYR A  69
 CA  A 402 (-2.9A)
None
CA  A 402 (-2.9A)
None
 1.19A 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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ASP B 176
GLY B 180
GLN B 260
TYR B 172
 ZN  B 600 (-2.2A)
None
None
None
 1.28A 1ekjC-4bkxB:
1.7
1ekjD-4bkxB:
undetectable		 1ekjC-4bkxB:
19.45
1ekjD-4bkxB:
19.45
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		4 ASP A 118
VAL A 120
GLY A  74
TYR A  72
 None
 1.25A 1ekjC-4bq4A:
1.6
1ekjD-4bq4A:
1.6		 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 ASP A 186
GLY A 190
GLN A 281
TYR A 182
 ZN  A 500 (-2.3A)
None
None
None
 1.20A 1ekjC-4bz7A:
undetectable
1ekjD-4bz7A:
1.8		 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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 VAL A  52
GLY A  44
GLN A 586
TYR A  59
 None
 0.99A 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
 1.23A 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 ASP A 113
VAL A  21
GLY A  25
TYR A  27
 None
 1.12A 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 ASP A 234
VAL A 237
GLN A 149
TYR A 110
 None
 0.88A 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 ASP A 301
VAL A 121
GLY A 176
TYR A 252
 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.
4ee9 ENDOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 ASP A 153
VAL A 155
GLY A 151
GLN A 149
 None
 1.22A 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.
4fs7 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13306
(LRR_5) 		4 ASP A  78
VAL A  40
GLY A  38
TYR A  77
 None
 1.23A 1ekjC-4fs7A:
undetectable
1ekjD-4fs7A:
undetectable		 1ekjC-4fs7A:
20.99
1ekjD-4fs7A:
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 4 CYH A 348
VAL A 345
GLY A 162
GLN A 165
 None
 1.14A 1ekjC-4hcyA:
undetectable
1ekjD-4hcyA:
undetectable		 1ekjC-4hcyA:
20.73
1ekjD-4hcyA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 ASP A  43
VAL A  95
GLY A  39
TYR A  77
 None
 1.18A 1ekjC-4im7A:
2.1
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 ASP A 276
VAL A 278
GLY A 273
GLN A 118
 None
 0.94A 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 ASP A 731
VAL A 723
GLY A 728
TYR A 736
 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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		4 CYH A  65
ASP A  64
GLY A 153
TYR A 155
 MG  A 401 (-2.5A)
MG  A 401 (-2.1A)
None
None
 1.29A 1ekjC-4qdgA:
undetectable
1ekjD-4qdgA:
undetectable		 1ekjC-4qdgA:
22.51
1ekjD-4qdgA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		4 VAL A  15
GLY A  63
GLN A  38
TYR A  64
 None
 1.29A 1ekjC-4rncA:
undetectable
1ekjD-4rncA:
undetectable		 1ekjC-4rncA:
24.92
1ekjD-4rncA:
24.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		4 VAL A 212
GLY A 215
GLN A 120
TYR A 222
 None
 1.06A 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
 0.96A 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 VAL A 239
GLY A 242
GLN A 146
TYR A 249
 None
None
OP0  A 401 (-3.0A)
OP0  A 401 (-3.6A)
 1.16A 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 ASP A 305
VAL A 287
GLY A  27
TYR A 367
 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 ASP A 253
VAL A 257
GLN A  28
TYR A 333
 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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 VAL A 234
GLY A 243
GLN A 201
TYR A  73
 None
None
None
S4M  A 301 (-4.4A)
 1.25A 1ekjC-4yv2A:
undetectable
1ekjD-4yv2A:
undetectable		 1ekjC-4yv2A:
22.22
1ekjD-4yv2A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z4l CELLOBIOSE
2-EPIMERASE

(Caldicellulosiruptor
saccharolyticus) 		PF07221
(GlcNAc_2-epim) 		4 CYH A  51
VAL A  52
GLY A 119
GLN A 116
 None
 1.02A 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 CYH A 690
ASP A 623
VAL A 653
TYR A 626
 CDC  A 801 ( 4.9A)
CDC  A 801 (-3.5A)
None
CDC  A 801 (-4.3A)
 1.13A 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 ASP A 138
VAL A 140
GLY A 136
TYR A  76
 CA  A1318 (-3.2A)
None
None
None
 1.21A 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)
 1.00A 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 ASP A 507
VAL A 509
GLY A 505
GLN A 166
 None
 1.18A 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 VAL B 211
GLY B 214
GLN B 119
TYR B 221
 None
 1.22A 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 ASP A 138
VAL A 140
GLY A 136
TYR A  76
 CA  A1321 (-3.2A)
None
None
None
 1.19A 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 ASP A 421
VAL A 423
GLY A 419
TYR A 206
 None
 1.18A 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 CYH A 185
VAL A 187
GLY A 189
GLN A 237
 None
 1.18A 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
 1.25A 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 ASP A 275
VAL A 270
GLY A 263
TYR A 261
 None
 1.17A 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 VAL A 129
GLY A  89
GLN A 113
TYR A 110
 None
NAD  A 401 (-3.3A)
NAD  A 401 (-3.8A)
None
 1.26A 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 VAL A 344
GLY A 422
GLN A 340
TYR A  40
 None
 1.11A 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 ASP A 443
VAL A 439
GLY A 114
GLN A 116
 GLC  A 503 (-2.6A)
GLC  A 503 ( 4.8A)
GLC  A 503 (-3.5A)
GLC  A 503 (-3.0A)
 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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 4 ASP A 442
VAL A 438
GLY A 106
GLN A 108
 GLC  A 501 ( 2.6A)
PO4  A 504 ( 4.3A)
GLC  A 501 (-3.2A)
GLC  A 501 (-3.1A)
 1.29A 1ekjC-5od2A:
undetectable
1ekjD-5od2A:
undetectable		 1ekjC-5od2A:
undetectable
1ekjD-5od2A:
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 ASP A 178
GLY A 182
GLN A 263
TYR A 174
 ZN  A 401 ( 2.3A)
None
None
None
 1.26A 1ekjC-5vi6A:
undetectable
1ekjD-5vi6A:
undetectable		 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 ASP A 269
VAL A 263
GLY A 265
GLN A  55
 None
 1.22A 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 ASP A 301
VAL A 121
GLY A 176
TYR A 252
 None
 1.23A 1ekjC-6aooA:
undetectable
1ekjD-6aooA:
undetectable		 1ekjC-6aooA:
22.61
1ekjD-6aooA:
22.61