SIMILAR PATTERNS OF AMINO ACIDS FOR 3SU9_A_ACTA426

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.
1aqz RESTRICTOCIN

(Aspergillus
restrictus) 		no annotation 3 GLN A   8
GLU A  18
LYS A  18
 None
 1.19A 3su9A-1aqzA:
undetectable		 3su9A-1aqzA:
17.63
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.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		3 GLN A 411
GLU A 331
LYS A 407
 None
 1.19A 3su9A-1bw0A:
0.0		 3su9A-1bw0A:
22.89
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.
1cv8 STAPHOPAIN

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47) 		3 GLN A   4
GLU A 135
LYS A 129
 None
 1.19A 3su9A-1cv8A:
0.0		 3su9A-1cv8A:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dbn PROTEIN
(LEUKOAGGLUTININ)

(Maackia
amurensis) 		PF00139
(Lectin_legB) 		3 GLN A  43
GLU A  23
LYS A  36
 None
 1.06A 3su9A-1dbnA:
0.0		 3su9A-1dbnA:
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.
1ebo EBOLA VIRUS ENVELOPE
PROTEIN CHIMERA
CONSISTING OF A
FRAGMENT OF GCN4
ZIPPER CLONED
N-TERMINAL TO A
FRAGMENT OF GP2

(Ebola virus sp.) 		no annotation 3 GLN A   3
GLU A   5
LYS A   3
 ZN  A 150 (-3.5A)
None
None
 1.20A 3su9A-1eboA:
undetectable		 3su9A-1eboA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ehl ANTI-(6-4)
PHOTOPRODUCT
ANTIBODY 64M-2 FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN H   3
GLU H   1
LYS H   1
 None
 1.13A 3su9A-1ehlH:
0.0		 3su9A-1ehlH:
20.00
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.
1fnj PROTEIN (CHORISMATE
MUTASE)

(Bacillus
subtilis) 		PF07736
(CM_1) 		3 GLN A  22
GLU A 110
LYS A  23
 None
 1.09A 3su9A-1fnjA:
undetectable		 3su9A-1fnjA:
16.47
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.
1i84 SMOOTH MUSCLE MYOSIN
HEAVY CHAIN

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		3 GLN S 211
GLU S 135
LYS S 211
 None
 1.18A 3su9A-1i84S:
0.0		 3su9A-1i84S:
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		3 GLN A 856
GLU A 852
LYS A 854
 None
 1.19A 3su9A-1i8qA:
0.0		 3su9A-1i8qA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		3 GLN A 468
GLU A 559
LYS A 480
 None
 1.17A 3su9A-1js4A:
undetectable		 3su9A-1js4A:
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.
1kj9 PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE 2

(Escherichia
coli) 		PF02222
(ATP-grasp) 		3 GLN A 165
GLU A 195
LYS A 155
 ATP  A   1 (-3.4A)
ATP  A   1 (-4.0A)
ATP  A   1 (-2.8A)
 1.15A 3su9A-1kj9A:
undetectable		 3su9A-1kj9A:
25.22
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.
1mc3 GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Escherichia
coli) 		PF00483
(NTP_transferase) 		3 GLN A  62
GLU A  79
LYS A  58
 None
 0.88A 3su9A-1mc3A:
undetectable		 3su9A-1mc3A:
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 GLN A 353
GLU A 443
LYS A 309
 None
 1.16A 3su9A-1mdfA:
undetectable		 3su9A-1mdfA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofm CHONDROITINASE B

(Pedobacter
heparinus) 		PF14592
(Chondroitinas_B) 		3 GLN A  48
GLU A  99
LYS A  74
 None
 1.19A 3su9A-1ofmA:
undetectable		 3su9A-1ofmA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rgi GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		3 GLN G 164
GLU G 263
LYS G 166
 None
 1.09A 3su9A-1rgiG:
undetectable		 3su9A-1rgiG:
22.32
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.
1rzg FAB 412D LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN A   3
GLU A   1
LYS A   1
 None
 1.20A 3su9A-1rzgA:
undetectable		 3su9A-1rzgA:
21.17
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.
1smt TRANSCRIPTIONAL
REPRESSOR SMTB

(Synechococcus
elongatus) 		PF01022
(HTH_5) 		3 GLN A  26
GLU A  24
LYS A  24
 None
 1.10A 3su9A-1smtA:
undetectable		 3su9A-1smtA:
15.35
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		3 GLN A 148
GLU A 142
LYS A 144
 None
 0.90A 3su9A-1tqhA:
undetectable		 3su9A-1tqhA:
21.01
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 GLN A 415
GLU A 403
LYS A 413
 None
 1.14A 3su9A-1xkhA:
undetectable		 3su9A-1xkhA:
21.89
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		3 GLN A 139
GLU A 173
LYS A 174
 None
 1.09A 3su9A-1xp3A:
undetectable		 3su9A-1xp3A:
23.04
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.
2a0s 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Plasmodium
vivax) 		PF01242
(PTPS) 		3 GLN A 101
GLU A 116
LYS A 108
 None
 1.14A 3su9A-2a0sA:
undetectable		 3su9A-2a0sA:
16.39
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.
2bl0 MAJOR PLASMODIAL
MYOSIN HEAVY CHAIN
MYOSIN REGULATORY
LIGHT CHAIN

(Physarum
polycephalum;
Physarum
polycephalum) 		PF00612
(IQ)
PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		3 GLN A 802
GLU B 116
LYS A 798
 None
 1.12A 3su9A-2bl0A:
undetectable		 3su9A-2bl0A:
8.98
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.
2cro REGULATORY PROTEIN
CRO

(Escherichia
virus Lambda) 		PF01381
(HTH_3) 		3 GLN A   0
GLU A   4
LYS A  -1
 None
 1.16A 3su9A-2croA:
undetectable		 3su9A-2croA:
9.76
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.
2ggz GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 3

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		3 GLN A  85
GLU A  89
LYS A  87
 None
 1.09A 3su9A-2ggzA:
undetectable		 3su9A-2ggzA:
20.53
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.
2h32 IMMUNOGLOBULIN HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN H   3
GLU H   1
LYS H   1
 None
 0.93A 3su9A-2h32H:
undetectable		 3su9A-2h32H:
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.
2j5a 30S RIBOSOMAL
PROTEIN S6

(Aquifex
aeolicus) 		PF01250
(Ribosomal_S6) 		3 GLN A  38
GLU A  81
LYS A  39
 None
 1.03A 3su9A-2j5aA:
undetectable		 3su9A-2j5aA:
16.16
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.
2jve PROD 1

(Notophthalmus
viridescens) 		no annotation 3 GLN A  60
GLU A  54
LYS A  56
 None
 1.20A 3su9A-2jveA:
undetectable		 3su9A-2jveA:
11.39
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.
2n4i SELECTION AND UPKEEP
OF INTRAEPITHELIAL
T-CELLS PROTEIN 1

(Mus musculus) 		PF07686
(V-set) 		3 GLN A  50
GLU A 103
LYS A 105
 None
 1.03A 3su9A-2n4iA:
undetectable		 3su9A-2n4iA:
13.54
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.
2pfc HYPOTHETICAL PROTEIN
RV0098/MT0107

(Mycobacterium
tuberculosis) 		PF10862
(FcoT) 		3 GLN A 146
GLU A 176
LYS A 156
 None
 1.14A 3su9A-2pfcA:
undetectable		 3su9A-2pfcA:
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 GLN A  96
GLU A  97
LYS A 132
 None
 1.16A 3su9A-2q49A:
undetectable		 3su9A-2q49A:
24.61
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.
2qqr JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A

(Homo sapiens) 		no annotation 3 GLN A 916
GLU A 918
LYS A 904
 None
 1.06A 3su9A-2qqrA:
undetectable		 3su9A-2qqrA:
14.63
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.
2w31 GLOBIN

(Geobacter
sulfurreducens) 		PF11563
(Protoglobin) 		3 GLN A  67
GLU A  29
LYS A  32
 None
GOL  A 201 (-2.9A)
GOL  A 201 ( 4.2A)
 1.16A 3su9A-2w31A:
undetectable		 3su9A-2w31A:
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.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		3 GLN A 692
GLU A 579
LYS A 593
 None
 1.14A 3su9A-2w92A:
undetectable		 3su9A-2w92A:
22.02
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.
2xvo SSO1725

(Sulfolobus
solfataricus) 		no annotation 3 GLN A 163
GLU A 160
LYS A  21
 None
 1.22A 3su9A-2xvoA:
undetectable		 3su9A-2xvoA:
17.42
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.
2yzu THIOREDOXIN

(Thermus
thermophilus) 		PF00085
(Thioredoxin) 		3 GLN A  99
GLU A  43
LYS A  95
 None
 1.08A 3su9A-2yzuA:
undetectable		 3su9A-2yzuA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		3 GLN A 152
GLU A 103
LYS A 127
 None
 1.08A 3su9A-2z81A:
undetectable		 3su9A-2z81A:
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.
3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE

(Escherichia
coli) 		PF03864
(Phage_cap_E) 		3 GLN A 330
GLU A 154
LYS A  88
 None
 1.06A 3su9A-3bqwA:
undetectable		 3su9A-3bqwA:
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		3 GLN A 692
GLU A 579
LYS A 593
 None
 1.14A 3su9A-3gdbA:
undetectable		 3su9A-3gdbA:
19.55
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.
3gyg NTD BIOSYNTHESIS
OPERON PUTATIVE
HYDROLASE NTDB

(Bacillus
subtilis) 		PF05116
(S6PP) 		3 GLN A  52
GLU A  58
LYS A  53
 None
 1.13A 3su9A-3gygA:
undetectable		 3su9A-3gygA:
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.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		3 GLN A1069
GLU A1072
LYS A1057
 None
 1.08A 3su9A-3k9bA:
undetectable		 3su9A-3k9bA:
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.
3ky9 PROTO-ONCOGENE VAV

(Homo sapiens) 		PF00130
(C1_1)
PF00169
(PH)
PF00621
(RhoGEF)
PF11971
(CAMSAP_CH) 		3 GLN A   6
GLU A   2
LYS A   2
 None
 1.13A 3su9A-3ky9A:
undetectable		 3su9A-3ky9A:
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.
3l2o F-BOX ONLY PROTEIN 4

(Homo sapiens) 		PF00646
(F-box) 		3 GLN B 224
GLU B 176
LYS B 230
 None
 1.14A 3su9A-3l2oB:
undetectable		 3su9A-3l2oB:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oaz FAB 2G12, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN H   3
GLU H   1
LYS H   1
 None
 0.96A 3su9A-3oazH:
undetectable		 3su9A-3oazH:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		3 GLN A1138
GLU A 938
LYS A 955
 None
 0.91A 3su9A-3pieA:
undetectable		 3su9A-3pieA:
17.50
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.
3ppu GLUTATHIONE-S-TRANSF
ERASE

(Phanerochaete
chrysosporium) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		3 GLN A  40
GLU A  38
LYS A  38
 None
 1.05A 3su9A-3ppuA:
undetectable		 3su9A-3ppuA:
24.83
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.
3q9s DNA-BINDING RESPONSE
REGULATOR

(Deinococcus
radiodurans) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		3 GLN A   4
GLU A   3
LYS A   3
 None
 1.15A 3su9A-3q9sA:
undetectable		 3su9A-3q9sA:
23.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		3 GLN A 108
GLU A 139
LYS A 144
 None
 0.36A 3su9A-3swdA:
69.8		 3su9A-3swdA:
93.54
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.
3v44 TOLL-LIKE RECEPTOR
5B AND VARIABLE
LYMPHOCYTE RECEPTOR
B.61 CHIMERIC
PROTEIN

(Eptatretus
burgeri;
Danio rerio) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		3 GLN A 367
GLU A 319
LYS A 343
 None
 1.10A 3su9A-3v44A:
undetectable		 3su9A-3v44A:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		3 GLN A 109
GLU A 140
LYS A 145
 None
 0.52A 3su9A-3vcyA:
67.3		 3su9A-3vcyA:
79.25
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.
3wky PROPHENOLOXIDASE B

(Marsupenaeus
japonicus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 GLN A 411
GLU A 637
LYS A 408
 None
 1.16A 3su9A-3wkyA:
undetectable		 3su9A-3wkyA:
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.
4bg7 PUTATIVE
TRANSCRIPTIONAL
COACTIVATOR P15

(Escherichia
virus T5) 		PF02229
(PC4) 		3 GLN A   4
GLU A   3
LYS A   3
 None
 0.90A 3su9A-4bg7A:
undetectable		 3su9A-4bg7A:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4btf MIXED LINEAGE KINASE
DOMAIN-LIKE PROTEIN

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		3 GLN A 331
GLU A 273
LYS A 333
 None
 1.14A 3su9A-4btfA:
undetectable		 3su9A-4btfA:
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.
4din CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-BETA REGULATORY
SUBUNIT

(Homo sapiens) 		PF00027
(cNMP_binding)
PF02197
(RIIa) 		3 GLN B 273
GLU B 295
LYS B 344
 None
 1.08A 3su9A-4dinB:
undetectable		 3su9A-4dinB:
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.
4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Bacillus
anthracis) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		3 GLN A 158
GLU A 182
LYS A 147
 GLN  A 158 (-0.6A)
GLU  A 182 (-0.6A)
LYS  A 147 (-0.0A)
 1.18A 3su9A-4dlkA:
undetectable		 3su9A-4dlkA:
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.
4feq TYROSINE-PROTEIN
KINASE RECEPTOR
TYRO3

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		3 GLN A 506
GLU A 505
LYS A 505
 None
 1.12A 3su9A-4feqA:
undetectable		 3su9A-4feqA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gsw UBIQUITIN

(Entamoeba
histolytica) 		PF00240
(ubiquitin) 		3 GLN A  44
GLU A  55
LYS A  30
 None
 1.21A 3su9A-4gswA:
undetectable		 3su9A-4gswA:
12.72
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.
4hcy THIAMINASE-I

(Naegleria
gruberi) 		no annotation 3 GLN A 130
GLU A 137
LYS A 141
 None
 1.19A 3su9A-4hcyA:
undetectable		 3su9A-4hcyA:
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.
4hfw 6-26 FAB HEAVY CHAIN

(Homo sapiens) 		no annotation 3 GLN H   3
GLU H   1
LYS H   1
 None
 1.20A 3su9A-4hfwH:
undetectable		 3su9A-4hfwH:
21.13
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.
4izo PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Burkholderia
thailandensis) 		PF02222
(ATP-grasp) 		3 GLN A 167
GLU A 191
LYS A 156
 None
 0.79A 3su9A-4izoA:
undetectable		 3su9A-4izoA:
23.58
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		3 GLN A 141
GLU A  93
LYS A 117
 None
 1.01A 3su9A-4kngA:
undetectable		 3su9A-4kngA:
21.85
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.
4kuz ANTIBODY 4A5 HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN H   3
GLU H   1
LYS H   1
 None
 0.86A 3su9A-4kuzH:
undetectable		 3su9A-4kuzH:
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.
4lj0 NAB2

(Chaetomium
thermophilum) 		PF14608
(zf-CCCH_2) 		3 GLN A 403
GLU A 402
LYS A 402
 None
 0.78A 3su9A-4lj0A:
undetectable		 3su9A-4lj0A:
9.30
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.
4mx3 CAMP-DEPENDENT
PROTEIN KINASE TYPE
I-ALPHA REGULATORY
SUBUNIT

(Bos taurus) 		PF00027
(cNMP_binding) 		3 GLN A 273
GLU A 295
LYS A 344
 None
 1.18A 3su9A-4mx3A:
undetectable		 3su9A-4mx3A:
22.64
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.
4pke PROTEIN C10C5.1,
ISOFORM I

(Caenorhabditis
elegans) 		PF12166
(Piezo_RRas_bdg) 		3 GLN A  34
GLU A  14
LYS A  14
 None
 1.15A 3su9A-4pkeA:
undetectable		 3su9A-4pkeA:
21.67
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.
4qq4 MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
3

(Homo sapiens) 		PF07496
(zf-CW) 		3 GLN A 408
GLU A 451
LYS A 421
 None
 0.95A 3su9A-4qq4A:
undetectable		 3su9A-4qq4A:
10.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		3 GLN A 109
GLU A 140
LYS A 145
 PG4  A 501 (-3.7A)
PG4  A 501 ( 4.9A)
PG4  A 501 (-2.6A)
 0.77A 3su9A-4r7uA:
66.8		 3su9A-4r7uA:
80.67
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		3 GLN A1900
GLU A1935
LYS A1932
 None
 1.03A 3su9A-4rh7A:
undetectable		 3su9A-4rh7A:
8.08
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.
4tn0 UPF0141 PROTEIN YJDB

(Campylobacter
jejuni) 		PF00884
(Sulfatase) 		3 GLN A 347
GLU A 419
LYS A 219
 None
 1.13A 3su9A-4tn0A:
undetectable		 3su9A-4tn0A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uiq GLOBIN-COUPLED
SENSOR WITH
DIGUANYLATE CYCLASE
ACTIVITY

(Bordetella
pertussis) 		PF11563
(Protoglobin) 		3 GLN A  70
GLU A  74
LYS A  35
 None
 1.19A 3su9A-4uiqA:
undetectable		 3su9A-4uiqA:
17.81
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.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		3 GLN A 611
GLU A 613
LYS A 824
 None
 0.96A 3su9A-4v36A:
undetectable		 3su9A-4v36A:
24.03
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.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 3 GLN A 273
GLU A   3
LYS A   7
 None
 1.16A 3su9A-4z8zA:
undetectable		 3su9A-4z8zA:
22.58
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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 GLN A 265
GLU A 141
LYS A 143
 None
 1.22A 3su9A-4zlgA:
undetectable		 3su9A-4zlgA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zpj EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Sphaerobacter
thermophilus) 		PF13458
(Peripla_BP_6) 		3 GLN A 133
GLU A 125
LYS A 137
 None
ZN  A 507 (-2.1A)
ZN  A 507 ( 4.1A)
 1.17A 3su9A-4zpjA:
undetectable		 3su9A-4zpjA:
24.13
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.
5b3f PHOSPHORIBULOKINASE/
URIDINE KINASE

(Methanospirillum
hungatei) 		PF00485
(PRK) 		3 GLN A 281
GLU A   9
LYS A   6
 None
 1.04A 3su9A-5b3fA:
undetectable		 3su9A-5b3fA:
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		3 GLN A 857
GLU A 681
LYS A 783
 None
 1.03A 3su9A-5d0fA:
undetectable		 3su9A-5d0fA:
14.87
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.
5drn FAB HPU24 HEAVY
CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN A   3
GLU A   2
LYS A   2
 PCA  A   1 ( 4.5A)
None
PCA  A   1 ( 3.2A)
 1.19A 3su9A-5drnA:
undetectable		 3su9A-5drnA:
21.31
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.
5gqr LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE TDR

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		3 GLN B 228
GLU B 180
LYS B 204
 None
 1.18A 3su9A-5gqrB:
undetectable		 3su9A-5gqrB:
21.75
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.
5hbt FAB35, HEAVY CHAIN

(Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 GLN D   3
GLU D   1
LYS D   1
 None
 1.21A 3su9A-5hbtD:
undetectable		 3su9A-5hbtD:
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.
5hw4 RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I

(Escherichia
coli) 		PF00590
(TP_methylase) 		3 GLN A  71
GLU A  70
LYS A  70
 None
 1.05A 3su9A-5hw4A:
undetectable		 3su9A-5hw4A:
23.46
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		3 GLN A 537
GLU A 539
LYS A 528
 None
 1.17A 3su9A-5i68A:
undetectable		 3su9A-5i68A:
22.59
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.
5ix1 MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
3

(Mus musculus) 		PF07496
(zf-CW)
PF13589
(HATPase_c_3) 		3 GLN A 408
GLU A 451
LYS A 421
 None
 0.94A 3su9A-5ix1A:
undetectable		 3su9A-5ix1A:
22.34
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.
5jm0 ALPHA-MANNOSIDASE,AL
PHA-MANNOSIDASE,ALPH
A-MANNOSIDASE

(Saccharomyces
cerevisiae) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		3 GLN A1012
GLU A1011
LYS A1011
 None
 0.98A 3su9A-5jm0A:
undetectable		 3su9A-5jm0A:
17.64
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.
5k0y EUKARYOTIC
INITIATION FACTOR 2
GAMMA SUBUNIT
(EIF2-GAMMA)

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		3 GLN S  52
GLU S 337
LYS S  52
 None
 1.08A 3su9A-5k0yS:
undetectable		 3su9A-5k0yS:
24.46
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.
5njf METALLOPROTEASE PMBA

(Escherichia
coli) 		PF01523
(PmbA_TldD) 		3 GLN B 450
GLU B 408
LYS B 238
 None
 0.65A 3su9A-5njfB:
undetectable		 3su9A-5njfB:
25.00
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		3 GLN A  20
GLU A  93
LYS A  21
 None
 1.14A 3su9A-5nz7A:
undetectable		 3su9A-5nz7A:
18.08
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.
5oh5 RIDL

(Legionella
pneumophila) 		no annotation 3 GLN A 193
GLU A 113
LYS A 117
 None
 1.16A 3su9A-5oh5A:
undetectable		 3su9A-5oh5A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oh6 INTERAPTIN

(Legionella
pneumophila) 		no annotation 3 GLN A 177
GLU A 113
LYS A 117
 None
 1.09A 3su9A-5oh6A:
0.4		 3su9A-5oh6A:
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 3 GLN A 468
GLU A 502
LYS A 464
 None
 0.99A 3su9A-5opqA:
undetectable		 3su9A-5opqA:
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.
5svi MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
3

(Homo sapiens) 		PF07496
(zf-CW) 		3 GLN A 408
GLU A 451
LYS A 421
 None
 1.03A 3su9A-5sviA:
undetectable		 3su9A-5sviA:
8.62
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.
5tws HUMAN DNA POLYMERASE
MU

(Homo sapiens) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		3 GLN A 242
GLU A 165
LYS A 238
 None
 1.18A 3su9A-5twsA:
undetectable		 3su9A-5twsA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vf3 SMALL OUTER CAPSID
PROTEIN

(Escherichia
virus T4) 		PF16855
(Soc) 		3 GLN O  47
GLU O  27
LYS O  11
 None
 1.13A 3su9A-5vf3O:
undetectable		 3su9A-5vf3O:
10.29
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.
5wyh INTERAPTIN

(Legionella
pneumophila) 		no annotation 3 GLN B 193
GLU B 113
LYS B 117
 None
 1.23A 3su9A-5wyhB:
undetectable		 3su9A-5wyhB:
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.
5yhq CAPSID PROTEIN VP3

(Enterovirus A) 		no annotation 3 GLN C 219
GLU C  50
LYS C 114
 None
 1.08A 3su9A-5yhqC:
undetectable		 3su9A-5yhqC:
20.52
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.
6ap4 DNA POLYMERASE III
SUBUNIT BETA

(Acinetobacter
baumannii) 		no annotation 3 GLN A 241
GLU A 240
LYS A 240
 None
 0.77A 3su9A-6ap4A:
undetectable		 3su9A-6ap4A:
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.
6b67 PROTEIN PHOSPHATASE
1A

(Homo sapiens) 		no annotation 3 GLN A  30
GLU A  11
LYS A   9
 None
 1.18A 3su9A-6b67A:
undetectable		 3su9A-6b67A:
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.
6bn2 ACETYL-COA
ACETYLTRANSFERASE

(Elizabethkingia
anophelis) 		no annotation 3 GLN A 367
GLU A 191
LYS A 193
 None
 1.09A 3su9A-6bn2A:
undetectable		 3su9A-6bn2A:
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.
6bnp UNCONVENTIONAL
MYOSIN-VI

(Sus scrofa) 		no annotation 3 GLN I 592
GLU I 469
LYS I 596
 None
 1.15A 3su9A-6bnpI:
undetectable		 3su9A-6bnpI:
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.
6bxa TOLL-LIKE RECEPTOR
5B, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Danio rerio) 		no annotation 3 GLN A 415
GLU A 367
LYS A 391
 None
 1.10A 3su9A-6bxaA:
undetectable		 3su9A-6bxaA:
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.
6fl0 -

(-) 		no annotation 3 GLN A 131
GLU A 121
LYS A 125
 None
 1.19A 3su9A-6fl0A:
undetectable		 3su9A-6fl0A:
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.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 3 GLN A 570
GLU A 519
LYS A 547
 None
 1.19A 3su9A-6fnwA:
undetectable		 3su9A-6fnwA:
undetectable