SIMILAR PATTERNS OF AMINO ACIDS FOR 3HEG_A_BAXA1_2

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA


(Homo sapiens)
PF00069
(Pkinase)
5 MET A  81
VAL A  86
ILE A 149
HIS A 151
ILE A 169
None
0.60A 3hegA-1cm8A:
36.9
3hegA-1cm8A:
61.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA


(Homo sapiens)
PF00069
(Pkinase)
5 VAL A  86
ILE A 149
HIS A 151
ILE A 169
LEU A 170
None
None
None
None
ANP  A 400 (-4.0A)
0.77A 3hegA-1cm8A:
36.9
3hegA-1cm8A:
61.84
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.
1eyy ALDEHYDE
DEHYDROGENASE


(Vibrio harveyi)
PF00171
(Aldedh)
4 MET A 281
ILE A 314
ILE A 385
LEU A 384
None
0.79A 3hegA-1eyyA:
undetectable
3hegA-1eyyA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k44 NUCLEOSIDE
DIPHOSPHATE KINASE


(Mycobacterium
tuberculosis)
PF00334
(NDK)
4 VAL A 116
ILE A  26
ILE A   9
LEU A   8
None
0.80A 3hegA-1k44A:
undetectable
3hegA-1k44A:
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.
1nui DNA PRIMASE/HELICASE

(Escherichia
virus T7)
PF08273
(Prim_Zn_Ribbon)
PF13155
(Toprim_2)
4 VAL A 154
ILE A 250
ILE A 203
LEU A 204
None
0.81A 3hegA-1nuiA:
undetectable
3hegA-1nuiA:
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.
1orf GRANZYME A

(Homo sapiens)
PF00089
(Trypsin)
5 VAL A 212
ILE A 238
HIS A 234
ILE A 229
LEU A 230
None
1.36A 3hegA-1orfA:
undetectable
3hegA-1orfA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1snn 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE


(Methanocaldococcus
jannaschii)
PF00926
(DHBP_synthase)
4 VAL A  32
ILE A 216
ILE A  17
LEU A  18
None
0.80A 3hegA-1snnA:
undetectable
3hegA-1snnA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjr BX1

(Zea mays)
PF00290
(Trp_syntA)
4 VAL A 231
ILE A 105
ILE A 207
LEU A 206
None
0.82A 3hegA-1tjrA:
undetectable
3hegA-1tjrA:
20.88
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.
1w6v UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15


(Homo sapiens)
PF06337
(DUSP)
4 VAL A  33
ILE A  16
ILE A  90
LEU A  91
None
0.79A 3hegA-1w6vA:
undetectable
3hegA-1w6vA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqw PROLINE
IMINOPEPTIDASE


(Thermoplasma
acidophilum)
PF00561
(Abhydrolase_1)
4 VAL A 127
ILE A 232
ILE A 238
LEU A 237
None
0.65A 3hegA-1xqwA:
undetectable
3hegA-1xqwA:
23.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zao RIO2 SERINE KINASE

(Archaeoglobus
fulgidus)
PF01163
(RIO1)
PF09202
(Rio2_N)
4 VAL A 166
ILE A 214
HIS A 216
ILE A 233
EDO  A 287 (-4.9A)
None
None
None
0.62A 3hegA-1zaoA:
8.3
3hegA-1zaoA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1


(Homo sapiens)
PF00069
(Pkinase)
4 VAL A  67
ILE A 126
HIS A 128
ILE A 146
None
0.32A 3hegA-1zltA:
21.1
3hegA-1zltA:
26.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zy4 SERINE/THREONINE-PRO
TEIN KINASE GCN2


(Saccharomyces
cerevisiae)
PF00069
(Pkinase)
4 VAL A 655
ILE A 831
HIS A 833
ILE A 851
None
0.22A 3hegA-1zy4A:
18.9
3hegA-1zy4A:
26.89
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.
2ac5 MAP
KINASE-INTERACTING
SERINE/THREONINE
KINASE 2


(Homo sapiens)
PF00069
(Pkinase)
4 VAL A 142
ILE A 201
HIS A 203
ILE A 224
None
0.47A 3hegA-2ac5A:
17.3
3hegA-2ac5A:
27.47
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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A


(Escherichia
coli)
PF03562
(MltA)
PF06725
(3D)
4 MET X  87
VAL X 330
ILE X 265
LEU X 272
None
0.81A 3hegA-2ae0X:
undetectable
3hegA-2ae0X:
19.95
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.
2atv RAS-LIKE
ESTROGEN-REGULATED
GROWTH INHIBITOR


(Homo sapiens)
PF00071
(Ras)
4 VAL A  81
ILE A 156
ILE A 114
LEU A 115
None
0.76A 3hegA-2atvA:
undetectable
3hegA-2atvA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ayx SENSOR KINASE
PROTEIN RCSC


(Escherichia
coli)
PF00072
(Response_reg)
PF09456
(RcsC)
4 VAL A 763
ILE A 798
ILE A 748
LEU A 747
None
0.81A 3hegA-2ayxA:
undetectable
3hegA-2ayxA:
20.83
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.
2dxf NUCLEOSIDE
DIPHOSPHATE KINASE


(Pyrococcus
horikoshii)
PF00334
(NDK)
4 MET A  79
VAL A  12
ILE A  28
ILE A 123
None
0.71A 3hegA-2dxfA:
undetectable
3hegA-2dxfA:
20.07
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.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE


(Methanocaldococcus
jannaschii)
PF01368
(DHH)
PF02833
(DHHA2)
4 VAL A   4
ILE A 113
ILE A  63
LEU A  64
None
0.82A 3hegA-2eb0A:
undetectable
3hegA-2eb0A:
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.
2fgt TWO-COMPONENT SYSTEM
YYCF/YYCG REGULATORY
PROTEIN YYCH


(Bacillus
subtilis)
PF07435
(YycH)
4 MET A  68
ILE A  88
ILE A 158
LEU A 159
None
0.75A 3hegA-2fgtA:
undetectable
3hegA-2fgtA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hdi COLICIN I RECEPTOR

(Escherichia
coli)
PF00593
(TonB_dep_Rec)
PF07715
(Plug)
4 VAL A 108
ILE A 125
ILE A 101
LEU A 102
None
0.61A 3hegA-2hdiA:
undetectable
3hegA-2hdiA:
20.83
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.
2inb HYPOTHETICAL PROTEIN

(Nostoc
punctiforme)
PF08814
(XisH)
4 VAL A  99
ILE A 117
ILE A 126
LEU A 125
None
0.74A 3hegA-2inbA:
undetectable
3hegA-2inbA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qhp FRUCTOKINASE

(Bacteroides
thetaiotaomicron)
PF00294
(PfkB)
4 VAL A 222
ILE A 256
ILE A 212
LEU A 211
None
0.59A 3hegA-2qhpA:
undetectable
3hegA-2qhpA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1


(Homo sapiens)
PF00069
(Pkinase)
4 VAL A  76
ILE A 135
HIS A 137
ILE A 159
None
0.36A 3hegA-2w4kA:
22.2
3hegA-2w4kA:
30.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtk SERINE/THREONINE-PRO
TEIN KINASE 11


(Homo sapiens)
PF00069
(Pkinase)
4 VAL C 110
ILE C 172
HIS C 174
ILE C 192
None
0.37A 3hegA-2wtkC:
21.6
3hegA-2wtkC:
28.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7v PROBABLE
ENDONUCLEASE 4


(Thermotoga
maritima)
PF01261
(AP_endonuc_2)
4 VAL A 173
ILE A 125
ILE A 141
LEU A 142
None
0.69A 3hegA-2x7vA:
undetectable
3hegA-2x7vA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yrf METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE


(Bacillus
subtilis)
PF01008
(IF-2B)
4 VAL A  50
ILE A  58
ILE A  20
LEU A  21
None
0.80A 3hegA-2yrfA:
undetectable
3hegA-2yrfA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywg GTP-BINDING PROTEIN
LEPA


(Aquifex
aeolicus)
PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C)
4 VAL A 131
ILE A 171
ILE A 161
LEU A 162
None
0.68A 3hegA-2ywgA:
undetectable
3hegA-2ywgA:
20.20
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus)
PF01979
(Amidohydro_1)
4 VAL A  40
ILE A 420
ILE A   4
LEU A   3
None
0.77A 3hegA-2z00A:
undetectable
3hegA-2z00A:
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.
3blx ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 2


(Saccharomyces
cerevisiae)
PF00180
(Iso_dh)
4 VAL B 113
ILE B 179
ILE B 134
LEU B 133
None
0.57A 3hegA-3blxB:
undetectable
3hegA-3blxB:
24.27
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE


(Thermotoga
maritima)
PF00809
(Pterin_bind)
PF02574
(S-methyl_trans)
4 VAL A 102
ILE A  92
ILE A  61
LEU A  62
None
None
None
K  A 703 ( 4.9A)
0.76A 3hegA-3bolA:
undetectable
3hegA-3bolA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bwt PROTEIN PUF4

(Saccharomyces
cerevisiae)
PF00806
(PUF)
4 VAL A 782
ILE A 802
ILE A 781
LEU A 784
None
0.80A 3hegA-3bwtA:
undetectable
3hegA-3bwtA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgw LPPG:FO
2-PHOSPHO-L-LACTATE
TRANSFERASE


(Methanosarcina
mazei)
PF01933
(UPF0052)
4 VAL A 216
ILE A 202
ILE A 187
LEU A 188
None
0.72A 3hegA-3cgwA:
undetectable
3hegA-3cgwA:
22.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13


(Homo sapiens)
PF00069
(Pkinase)
4 VAL A  84
HIS A 148
ILE A 166
LEU A 167
None
0.60A 3hegA-3coiA:
37.5
3hegA-3coiA:
61.89
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.
3eoe PYRUVATE KINASE

(Toxoplasma
gondii)
PF00224
(PK)
PF02887
(PK_C)
4 VAL A 167
ILE A 141
ILE A 158
LEU A 159
None
0.78A 3hegA-3eoeA:
undetectable
3hegA-3eoeA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g2f BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-2


(Homo sapiens)
PF00069
(Pkinase)
4 MET A 252
ILE A 329
HIS A 331
ILE A 349
None
0.58A 3hegA-3g2fA:
19.2
3hegA-3g2fA:
27.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gp0 MITOGEN-ACTIVATED
PROTEIN KINASE 11


(Homo sapiens)
PF00069
(Pkinase)
5 VAL A  83
ILE A 146
HIS A 148
ILE A 166
LEU A 167
NIL  A   1 (-4.9A)
None
NIL  A   1 (-4.3A)
NIL  A   1 ( 4.9A)
NIL  A   1 (-4.0A)
0.43A 3hegA-3gp0A:
42.4
3hegA-3gp0A:
75.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE


(Thermotoga
maritima)
PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3)
4 VAL A 378
ILE A 358
ILE A 405
LEU A 404
None
0.70A 3hegA-3jurA:
undetectable
3hegA-3jurA:
24.52
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.
3k67 PUTATIVE DEHYDRATASE
AF1124


(Archaeoglobus
fulgidus)
PF01575
(MaoC_dehydratas)
4 VAL A 103
ILE A 138
ILE A 158
LEU A 157
None
0.82A 3hegA-3k67A:
undetectable
3hegA-3k67A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1


(Saccharomyces
cerevisiae)
PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
4 VAL A 728
ILE A 793
HIS A 795
ILE A 826
None
0.24A 3hegA-3lj0A:
19.8
3hegA-3lj0A:
27.88
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.
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B


(Homo sapiens)
PF00069
(Pkinase)
4 VAL A  93
ILE A 154
HIS A 156
ILE A 177
None
0.34A 3hegA-3lm5A:
17.9
3hegA-3lm5A:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmn UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15


(Homo sapiens)
PF06337
(DUSP)
4 VAL A  33
ILE A  16
ILE A  90
LEU A  91
None
0.82A 3hegA-3lmnA:
undetectable
3hegA-3lmnA:
19.24
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.
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B


(Homo sapiens)
PF07714
(Pkinase_Tyr)
PF08515
(TGF_beta_GS)
4 MET A 253
ILE A 328
HIS A 330
ILE A 348
None
0.70A 3hegA-3mdyA:
11.5
3hegA-3mdyA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA


(Saccharomyces
cerevisiae)
PF00365
(PFK)
4 VAL B 757
ILE B 788
ILE B 817
LEU B 818
None
0.80A 3hegA-3o8oB:
undetectable
3hegA-3o8oB:
18.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oht P38A

(Salmo salar)
PF00069
(Pkinase)
5 MET A  79
VAL A  84
ILE A 147
ILE A 167
LEU A 168
None
None
None
None
1N1  A1000 ( 3.7A)
0.67A 3hegA-3ohtA:
18.6
3hegA-3ohtA:
87.07
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.
3okz PUTATIVE
UNCHARACTERIZED
PROTEIN GBS0355


(Streptococcus
agalactiae)
PF03816
(LytR_cpsA_psr)
5 MET A  99
VAL A  88
ILE A 230
ILE A  62
LEU A  63
None
1.28A 3hegA-3okzA:
undetectable
3hegA-3okzA:
22.74
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.
3oo9 ABC TRANSPORTER
BINDING PROTEIN ACBH


(Actinoplanes
sp. SE50/110)
PF01547
(SBP_bac_1)
4 MET A  38
VAL A  49
ILE A 311
ILE A  19
None
0.70A 3hegA-3oo9A:
undetectable
3hegA-3oo9A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT


(Komagataella
pastoris)
PF00365
(PFK)
4 VAL B 742
ILE B 773
ILE B 802
LEU B 803
None
0.79A 3hegA-3opyB:
undetectable
3hegA-3opyB:
16.45
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.
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 MET A 774
VAL A 782
HIS A 843
ILE A 861
03Q  A   1 (-4.5A)
None
None
None
0.78A 3hegA-3pp0A:
19.8
3hegA-3pp0A:
26.93
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A


(Homo sapiens)
PF00069
(Pkinase)
4 MET A 241
ILE A 318
HIS A 320
ILE A 338
None
0.58A 3hegA-3q4tA:
17.7
3hegA-3q4tA:
25.95
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.
3qa8 MGC80376 PROTEIN

(Xenopus laevis)
PF00069
(Pkinase)
4 VAL A  73
ILE A 141
HIS A 143
ILE A 164
None
0.69A 3hegA-3qa8A:
17.2
3hegA-3qa8A:
22.27
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.
3rrl SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
A


(Helicobacter
pylori)
PF01144
(CoA_trans)
4 VAL A  49
ILE A  36
ILE A  21
LEU A  22
None
0.68A 3hegA-3rrlA:
undetectable
3hegA-3rrlA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sql GLYCOSYL HYDROLASE
FAMILY 3


(Synechococcus
sp. PCC 7002)
PF00933
(Glyco_hydro_3)
4 VAL A 275
ILE A  59
ILE A 304
LEU A 305
None
0.76A 3hegA-3sqlA:
undetectable
3hegA-3sqlA:
19.63
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.
3tbf GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]


(Francisella
tularensis)
PF01380
(SIS)
4 VAL A 520
ILE A 457
ILE A 547
LEU A 548
None
0.79A 3hegA-3tbfA:
undetectable
3hegA-3tbfA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsc PUTATIVE
OXIDOREDUCTASE


(Mycobacterium
avium)
PF13561
(adh_short_C2)
4 VAL A 102
ILE A 244
ILE A 153
LEU A 154
None
0.72A 3hegA-3tscA:
undetectable
3hegA-3tscA:
21.37
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)


(Mycobacterium
avium)
PF13561
(adh_short_C2)
4 VAL A 105
ILE A 253
ILE A 157
LEU A 158
None
0.76A 3hegA-3uveA:
undetectable
3hegA-3uveA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjp HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE


(Thermococcus
kodakarensis)
PF00586
(AIRS)
PF02769
(AIRS_C)
5 MET A 326
VAL A 314
ILE A 249
ILE A 242
LEU A 243
None
1.46A 3hegA-3wjpA:
undetectable
3hegA-3wjpA:
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.
4am6 ACTIN-LIKE PROTEIN
ARP8


(Saccharomyces
cerevisiae)
PF00022
(Actin)
4 VAL A 501
ILE A 750
ILE A 732
LEU A 731
None
0.78A 3hegA-4am6A:
undetectable
3hegA-4am6A:
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.
4b5m PUTATIVE
EXODEOXYRIBONUCLEASE


(Neisseria
meningitidis)
PF03372
(Exo_endo_phos)
4 VAL A 182
ILE A 152
HIS A 154
ILE A 183
None
0.59A 3hegA-4b5mA:
undetectable
3hegA-4b5mA:
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.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA


(Homo sapiens)
PF00069
(Pkinase)
4 VAL A  73
ILE A 141
HIS A 143
ILE A 164
None
0.57A 3hegA-4e3cA:
17.7
3hegA-4e3cA:
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.
4e8b RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E


(Escherichia
coli)
PF04452
(Methyltrans_RNA)
4 VAL A  64
ILE A   6
HIS A   8
ILE A  18
None
0.79A 3hegA-4e8bA:
undetectable
3hegA-4e8bA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f21 CARBOXYLESTERASE/PHO
SPHOLIPASE FAMILY
PROTEIN


(Francisella
tularensis)
PF02230
(Abhydrolase_2)
4 VAL A  16
ILE A 212
ILE A 111
LEU A 112
None
0.56A 3hegA-4f21A:
undetectable
3hegA-4f21A:
21.78
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.
4g0b HYDROXYCINNAMOYL-COA
SHIKIMATE/QUINATE
HYDROXYCINNAMOYLTRAN
SFERASE


(Coffea
canephora)
PF02458
(Transferase)
4 VAL A 373
ILE A 236
ILE A 403
LEU A 404
None
0.82A 3hegA-4g0bA:
undetectable
3hegA-4g0bA:
23.73
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.
4i93 PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE
AT5G41260


(Arabidopsis
thaliana)
PF07714
(Pkinase_Tyr)
4 VAL A  86
ILE A  46
ILE A 131
LEU A 130
None
0.78A 3hegA-4i93A:
12.9
3hegA-4i93A:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ijm CIRCADIAN CLOCK
PROTEIN KINASE KAIC


(Synechococcus
elongatus)
PF06745
(ATPase)
4 VAL A 205
ILE A  31
HIS A 230
LEU A 223
None
None
ATP  A 804 (-3.3A)
None
0.74A 3hegA-4ijmA:
undetectable
3hegA-4ijmA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0x RIBOSOMAL
RNA-PROCESSING
PROTEIN 9


(Saccharomyces
cerevisiae)
PF00400
(WD40)
4 VAL A 273
HIS A 235
ILE A 261
LEU A 260
None
0.77A 3hegA-4j0xA:
undetectable
3hegA-4j0xA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kf9 GLUTATHIONE
S-TRANSFERASE
PROTEIN


(Ralstonia
solanacearum)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
4 MET A 230
VAL A  34
ILE A 238
LEU A   8
None
0.59A 3hegA-4kf9A:
undetectable
3hegA-4kf9A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o0m CIRCADIAN CLOCK
PROTEIN KINASE KAIC


(Thermosynechococcus
elongatus)
PF06745
(ATPase)
4 VAL A 206
ILE A  32
HIS A 231
LEU A 224
None
0.81A 3hegA-4o0mA:
undetectable
3hegA-4o0mA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4olq ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN


(Hyphomonas
neptunium)
PF00378
(ECH_1)
4 VAL A 101
ILE A  35
ILE A  51
LEU A  52
None
0.63A 3hegA-4olqA:
undetectable
3hegA-4olqA:
20.17
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.
4q3l MGS-M2

(unidentified)
PF00561
(Abhydrolase_1)
4 VAL A 119
ILE A 209
ILE A 215
LEU A 214
None
0.76A 3hegA-4q3lA:
undetectable
3hegA-4q3lA:
22.87
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.
4rap GLYCOSYLTRANSFERASE
TIBC


(Escherichia
coli)
PF01075
(Glyco_transf_9)
4 VAL A 333
ILE A 383
ILE A 317
LEU A 316
None
0.81A 3hegA-4rapA:
undetectable
3hegA-4rapA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tl9 CIRCADIAN CLOCK
PROTEIN KINASE KAIC


(Synechococcus
elongatus)
PF06745
(ATPase)
4 VAL A 205
ILE A  31
HIS A 230
LEU A 223
None
0.76A 3hegA-4tl9A:
undetectable
3hegA-4tl9A:
21.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tyh MITOGEN-ACTIVATED
PROTEIN KINASE 14


(Mus musculus)
PF00069
(Pkinase)
6 MET B  78
VAL B  83
ILE B 146
HIS B 148
ILE B 166
LEU B 167
None
None
None
None
None
39G  B 401 (-3.6A)
0.63A 3hegA-4tyhB:
42.1
3hegA-4tyhB:
99.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ylj DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 1A


(Homo sapiens)
PF00069
(Pkinase)
4 MET A 210
ILE A 283
HIS A 285
ILE A 305
None
0.78A 3hegA-4yljA:
24.8
3hegA-4yljA:
27.66
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.
4ynz SERINE/THREONINE-PRO
TEIN KINASE BRSK2


(Mus musculus)
PF00069
(Pkinase)
4 VAL A  79
ILE A 138
HIS A 140
ILE A 158
None
0.49A 3hegA-4ynzA:
22.0
3hegA-4ynzA:
26.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1


(Homo sapiens)
PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
4 VAL A 625
ILE A 684
HIS A 686
ILE A 709
NA  A1001 (-4.9A)
None
None
None
0.27A 3hegA-4z7gA:
17.9
3hegA-4z7gA:
27.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a0z CHOLINE
TRIMETHYLAMINE LYASE


(Klebsiella
pneumoniae)
PF01228
(Gly_radical)
PF02901
(PFL-like)
4 VAL A 404
HIS A 560
ILE A 397
LEU A 396
None
0.82A 3hegA-5a0zA:
undetectable
3hegA-5a0zA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ao8 SOLUBLE LYTIC
TRANGLYCOSILASE B3


(Pseudomonas
aeruginosa)
PF01471
(PG_binding_1)
PF13406
(SLT_2)
4 MET A 203
VAL A 157
ILE A 184
ILE A 158
None
0.79A 3hegA-5ao8A:
undetectable
3hegA-5ao8A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE


(Pseudomonas
aeruginosa)
PF00275
(EPSP_synthase)
4 MET A 344
VAL A 368
ILE A 392
LEU A 391
None
0.73A 3hegA-5bq2A:
undetectable
3hegA-5bq2A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyu CONSERVED MEMBRANE
PROTEIN


(Mycolicibacterium
smegmatis)
PF05108
(T7SS_ESX1_EccB)
4 VAL A 389
ILE A 413
ILE A 169
LEU A 170
None
0.79A 3hegA-5cyuA:
undetectable
3hegA-5cyuA:
23.01
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL


(Homo sapiens)
PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3)
4 VAL A 223
ILE A 281
ILE A 261
LEU A 260
None
0.66A 3hegA-5dotA:
undetectable
3hegA-5dotA:
12.68
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.
5had PROTEIN ACCUMULATION
AND REPLICATION OF
CHLOROPLASTS 6,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF13355
(DUF4101)
4 MET A 674
VAL A 741
ILE A 682
LEU A 751
None
0.77A 3hegA-5hadA:
undetectable
3hegA-5hadA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsg PUTATIVE ABC
TRANSPORTER,
NUCLEOTIDE
BINDING/ATPASE
PROTEIN


(Klebsiella
pneumoniae)
PF13407
(Peripla_BP_4)
4 VAL A 116
ILE A 102
ILE A  92
LEU A  93
None
0.67A 3hegA-5hsgA:
undetectable
3hegA-5hsgA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jwr CIRCADIAN CLOCK
PROTEIN KINASE KAIC


(Thermosynechococcus
elongatus)
PF06745
(ATPase)
4 VAL A 206
ILE A  32
HIS A 231
LEU A 224
None
0.70A 3hegA-5jwrA:
undetectable
3hegA-5jwrA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5z PARA

(Sulfolobus sp.
NOB8H2)
PF13614
(AAA_31)
4 VAL A   5
ILE A 124
ILE A 138
LEU A 139
None
0.71A 3hegA-5k5zA:
undetectable
3hegA-5k5zA:
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.
5kkr KINASE SUPPRESSOR OF
RAS 2


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 VAL B 722
ILE B 782
HIS B 784
ILE B 801
None
0.42A 3hegA-5kkrB:
19.6
3hegA-5kkrB:
23.98
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.
5l2q SERINE/THREONINE-PRO
TEIN KINASE 40


(Homo sapiens)
no annotation 4 VAL C 106
ILE C 193
HIS C 195
ILE C 214
None
0.53A 3hegA-5l2qC:
19.1
3hegA-5l2qC:
23.76
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.
5myv SRSF PROTEIN KINASE
2,SRSF PROTEIN
KINASE 2


(Homo sapiens)
PF00069
(Pkinase)
4 VAL A 156
ILE A 221
HIS A 223
ILE A 539
None
0.33A 3hegA-5myvA:
19.7
3hegA-5myvA:
26.00
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE


(Acinetobacter
baumannii)
PF00275
(EPSP_synthase)
4 MET A 342
VAL A 366
ILE A 390
LEU A 389
None
0.82A 3hegA-5u4hA:
undetectable
3hegA-5u4hA:
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.
5wti CRISPR-ASSOCIATED
PROTEIN


(Bacillus
thermoamylovorans)
no annotation 4 VAL Z 870
ILE Z 855
ILE Z 825
LEU Z 826
None
0.82A 3hegA-5wtiZ:
undetectable
3hegA-5wtiZ:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xv7 SERINE-ARGININE (SR)
PROTEIN KINASE 1


(Homo sapiens)
no annotation 4 VAL A 144
ILE A 209
HIS A 211
ILE A 495
None
0.40A 3hegA-5xv7A:
24.7
3hegA-5xv7A:
14.20
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.
5xvs GDP/UDP-N,N'-DIACETY
LBACILLOSAMINE
2-EPIMERASE
(HYDROLYZING)


(Acinetobacter
baumannii)
no annotation 4 VAL A 286
ILE A 230
ILE A 207
LEU A 206
None
0.74A 3hegA-5xvsA:
undetectable
3hegA-5xvsA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yak -

(-)
no annotation 4 VAL A 265
ILE A 120
ILE A 190
LEU A 191
None
0.79A 3hegA-5yakA:
undetectable
3hegA-5yakA:
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE


(Acinetobacter
baumannii)
no annotation 4 MET A  17
VAL A  24
ILE A 115
LEU A 238
None
0.80A 3hegA-6bngA:
undetectable
3hegA-6bngA:
12.10
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.
6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2


(Homo sapiens)
no annotation 4 VAL A 248
ILE A 308
HIS A 310
ILE A 328
None
0.31A 3hegA-6bqlA:
21.2
3hegA-6bqlA:
12.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c49 ALCOHOL
DEHYDROGENASE


(Acinetobacter
baumannii)
no annotation 4 MET A 212
ILE A 178
ILE A 184
LEU A 188
None
0.80A 3hegA-6c49A:
undetectable
3hegA-6c49A:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ccf CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 1


(Homo sapiens)
no annotation 4 VAL A 211
ILE A 271
HIS A 273
ILE A 291
None
0.39A 3hegA-6ccfA:
21.0
3hegA-6ccfA:
11.66
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.
6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ


(Pyrococcus
furiosus)
no annotation 4 VAL J  27
ILE J 139
ILE J  68
LEU J  69
None
0.45A 3hegA-6cfwJ:
undetectable
3hegA-6cfwJ:
13.51
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.
6cmj CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2


(Homo sapiens)
no annotation 4 VAL A 248
ILE A 308
HIS A 310
ILE A 328
None
0.29A 3hegA-6cmjA:
22.2
3hegA-6cmjA:
11.99
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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE


(Pseudomonas
putida)
no annotation 4 MET A 344
VAL A 368
ILE A 392
LEU A 391
None
0.75A 3hegA-6cn1A:
undetectable
3hegA-6cn1A:
13.51