SIMILAR PATTERNS OF AMINO ACIDS FOR 5CYM_A_T27A601_1

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.
1axd GLUTATHIONE
S-TRANSFERASE I

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 PRO A  55
LEU A   5
VAL A 206
VAL A   9
TYR A  28
 None
 1.47A 5cymA-1axdA:
0.0		 5cymA-1axdA:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fuk EUKARYOTIC
INITIATION FACTOR 4A

(Saccharomyces
cerevisiae) 		PF00271
(Helicase_C) 		5 LEU A 253
VAL A 358
VAL A 259
PHE A 236
LEU A 385
 None
 1.42A 5cymA-1fukA:
undetectable		 5cymA-1fukA:
15.38
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.
1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01658
(Inos-1-P_synth) 		5 LEU A 344
VAL A 337
VAL A 169
PHE A 364
LEU A 361
 None
 1.25A 5cymA-1gr0A:
0.0		 5cymA-1gr0A:
21.32
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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 PRO A 379
LYS A 365
PHE A 369
LEU A 368
TYR A 415
 None
 1.24A 5cymA-1j2bA:
0.0		 5cymA-1j2bA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LEU A 100
LYS A 103
TRP A 229
LEU A 234
TYR A 318
 None
 1.10A 5cymA-1mu2A:
28.6		 5cymA-1mu2A:
60.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 PRO A  95
LYS A 103
TRP A 229
LEU A 234
TYR A 318
 None
 0.97A 5cymA-1mu2A:
28.6		 5cymA-1mu2A:
60.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ox8 STRINGENT STARVATION
PROTEIN B

(Escherichia
coli) 		PF04386
(SspB) 		5 LEU A  65
VAL A  90
PHE A  72
LEU A  63
TYR A  18
 None
 1.44A 5cymA-1ox8A:
undetectable		 5cymA-1ox8A:
12.90
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.
1pg5 ASPARTATE
CARBAMOYLTRANSFERASE

(Sulfolobus
acidocaldarius) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 171
VAL A 216
TYR A 218
LEU A 168
TYR A 199
 None
 1.47A 5cymA-1pg5A:
undetectable		 5cymA-1pg5A:
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.
1wpx CARBOXYPEPTIDASE Y
INHIBITOR

(Saccharomyces
cerevisiae) 		PF01161
(PBP) 		5 PRO B 532
LEU B 708
VAL B 524
TYR B 515
TYR B 668
 None
 1.38A 5cymA-1wpxB:
undetectable		 5cymA-1wpxB:
16.79
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.
1y9u PUTATIVE IRON
BINDING PROTEIN

(Bordetella
pertussis) 		PF13343
(SBP_bac_6) 		5 LEU A 261
VAL A  34
VAL A  58
LEU A  22
TYR A 260
 None
 1.14A 5cymA-1y9uA:
0.0		 5cymA-1y9uA:
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.
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1

(Homo sapiens) 		PF00619
(CARD)
PF00931
(NB-ARC) 		5 LEU A 386
TYR A 436
PHE A 425
LEU A 424
TYR A 383
 None
None
ADP  A 900 (-3.8A)
None
None
 1.20A 5cymA-1z6tA:
undetectable		 5cymA-1z6tA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z9l VESICLE-ASSOCIATED
MEMBRANE
PROTEIN-ASSOCIATED
PROTEIN A

(Rattus
norvegicus) 		PF00635
(Motile_Sperm) 		5 LEU A 119
VAL A  71
VAL A  44
TYR A  52
PHE A  18
 None
 1.40A 5cymA-1z9lA:
undetectable		 5cymA-1z9lA:
12.03
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.
2b5i CYTOKINE RECEPTOR
COMMON GAMMA CHAIN

(Homo sapiens) 		PF00041
(fn3)
PF09240
(IL6Ra-bind) 		5 LEU C 140
VAL C 165
TYR C 197
TYR C 167
PHE C 186
 None
 1.46A 5cymA-2b5iC:
undetectable		 5cymA-2b5iC:
16.92
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.
2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Homo sapiens) 		PF01869
(BcrAD_BadFG) 		5 LEU A  71
VAL A  46
PHE A  95
LEU A  98
TYR A 102
 None
 1.24A 5cymA-2ch6A:
4.4		 5cymA-2ch6A:
20.92
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.
2csw UBIQUITIN LIGASE
PROTEIN RNF8

(Homo sapiens) 		PF00498
(FHA) 		5 LEU A 108
VAL A  46
VAL A  65
TYR A  48
LEU A  50
 None
 1.43A 5cymA-2cswA:
undetectable		 5cymA-2cswA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e21 TRNA(ILE)-LYSIDINE
SYNTHASE

(Aquifex
aeolicus) 		PF01171
(ATP_bind_3) 		5 LEU A  40
VAL A  11
VAL A 172
PHE A  51
LEU A  44
 None
 1.44A 5cymA-2e21A:
undetectable		 5cymA-2e21A:
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 PRO A 242
LEU A 240
VAL A 189
LEU A 300
TYR A 238
 None
 1.33A 5cymA-2elcA:
undetectable		 5cymA-2elcA:
21.38
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.
2erj CYTOKINE RECEPTOR
COMMON GAMMA CHAIN

(Homo sapiens) 		PF00041
(fn3)
PF09240
(IL6Ra-bind) 		5 LEU C 140
VAL C 165
TYR C 197
TYR C 167
PHE C 186
 None
 1.37A 5cymA-2erjC:
undetectable		 5cymA-2erjC:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
LYS A 103
VAL A 106
TYR A 181
TYR A 188
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.86A 5cymA-2hnzA:
35.9		 5cymA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
LYS A 103
VAL A 106
TYR A 188
PHE A 227
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.1A)
PC0  A 999 (-4.7A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.92A 5cymA-2hnzA:
35.9		 5cymA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.85A 5cymA-2hnzA:
35.9		 5cymA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
VAL A 106
VAL A 179
TYR A 188
PHE A 227
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-4.1A)
PC0  A 999 (-4.7A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.93A 5cymA-2hnzA:
35.9		 5cymA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 PRO A  95
LEU A 100
LYS A 103
VAL A 106
PHE A 227
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.72A 5cymA-2hnzA:
35.9		 5cymA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 PRO A  95
LEU A 100
LYS A 103
VAL A 106
TYR A 181
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.86A 5cymA-2hnzA:
35.9		 5cymA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 PRO A  95
LEU A 100
VAL A 106
VAL A 179
PHE A 227
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-4.7A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.73A 5cymA-2hnzA:
35.9		 5cymA-2hnzA:
98.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 PRO A  95
LEU A 100
VAL A 106
VAL A 179
TYR A 181
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 4.9A)
PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.85A 5cymA-2hnzA:
35.9		 5cymA-2hnzA:
98.50
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.
2kkn UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF12850
(Metallophos_2) 		5 PRO A 132
LEU A 112
VAL A  58
PHE A   4
LEU A 143
 None
 1.34A 5cymA-2kknA:
undetectable		 5cymA-2kknA:
15.08
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.
2l3w PHYCOBILISOME ROD
LINKER POLYPEPTIDE

(Synechococcus
elongatus) 		PF00427
(PBS_linker_poly) 		5 LEU A  85
VAL A  21
TYR A  22
PHE A  54
TYR A 121
 None
 1.49A 5cymA-2l3wA:
undetectable		 5cymA-2l3wA:
14.08
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.
2lv3 THIOREDOXIN
REDUCTASE 3

(Mus musculus) 		PF00462
(Glutaredoxin) 		5 LEU A 117
VAL A  63
VAL A  97
TYR A  65
LEU A  57
 None
 1.40A 5cymA-2lv3A:
undetectable		 5cymA-2lv3A:
12.60
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.
2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
sphaeroides) 		PF00355
(Rieske) 		5 PRO A 174
LEU A 186
VAL A  54
VAL A  65
PHE A 178
 None
 1.49A 5cymA-2numA:
undetectable		 5cymA-2numA:
12.03
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.
2rdp PUTATIVE
TRANSCRIPTIONAL
REGULATOR MARR

(Geobacillus
stearothermophilus) 		PF01047
(MarR) 		5 LEU A  82
LYS A 102
VAL A 110
PHE A  42
LEU A  45
 None
 1.42A 5cymA-2rdpA:
undetectable		 5cymA-2rdpA:
12.52
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.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 LEU A 387
VAL A 211
VAL A 129
PHE A 401
LEU A 407
 None
 1.39A 5cymA-2vdaA:
undetectable		 5cymA-2vdaA:
22.08
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.
2vw8 PA1000

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		5 PRO A  59
LEU A  85
VAL A  24
TRP A  49
LEU A  81
 None
 1.44A 5cymA-2vw8A:
undetectable		 5cymA-2vw8A:
18.02
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.
2x4l FERRIC-SIDEROPHORE
RECEPTOR PROTEIN

(Streptomyces
coelicolor) 		PF01497
(Peripla_BP_2) 		5 PRO A  69
LEU A 190
VAL A  78
VAL A  89
LEU A 186
 None
 1.38A 5cymA-2x4lA:
undetectable		 5cymA-2x4lA:
20.71
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.
2x8w METHYLGLYOXAL
SYNTHASE

(Thermus sp. GH5) 		PF02142
(MGS) 		5 PRO A 105
LEU A  74
VAL A  26
TRP A 119
LEU A 123
 None
 1.45A 5cymA-2x8wA:
undetectable		 5cymA-2x8wA:
13.48
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.
2xqy ENVELOPE
GLYCOPROTEIN H

(Suid
alphaherpesvirus
1) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 LEU A 273
VAL A 174
VAL A 163
PHE A 266
LEU A 309
 None
 1.45A 5cymA-2xqyA:
undetectable		 5cymA-2xqyA:
20.48
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.
2ybq METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00590
(TP_methylase) 		5 LEU A  57
VAL A  23
VAL A  47
TRP A  38
LEU A  33
 None
 1.19A 5cymA-2ybqA:
undetectable		 5cymA-2ybqA:
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.
2yy6 PHOSPHOGLYCOLATE
PHOSPHATASE

(Aquifex
aeolicus) 		PF13419
(HAD_2) 		5 LEU A  23
VAL A  67
VAL A  48
TYR A  64
LEU A  27
 None
 1.25A 5cymA-2yy6A:
undetectable		 5cymA-2yy6A:
16.54
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		5 LEU A 130
VAL A 108
TYR A 103
PHE A  51
LEU A 114
 None
 1.28A 5cymA-3futA:
undetectable		 5cymA-3futA:
20.50
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.
3g8r PROBABLE SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
E

(Chromobacterium
violaceum) 		PF03102
(NeuB)
PF08666
(SAF) 		5 LEU A 338
VAL A 299
VAL A 288
LEU A 310
TYR A 321
 None
 1.34A 5cymA-3g8rA:
undetectable		 5cymA-3g8rA:
19.26
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.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		5 PRO A 108
LEU A 174
VAL A 188
TYR A 191
LEU A 170
 None
None
None
GLU  A 500 (-4.1A)
None
 1.17A 5cymA-3ihaA:
undetectable		 5cymA-3ihaA:
21.51
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.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		5 LEU A 203
VAL A 164
VAL A 380
LEU A 188
TYR A 204
 None
 1.45A 5cymA-3k2kA:
undetectable		 5cymA-3k2kA:
19.23
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.
3k53 FERROUS IRON
TRANSPORT PROTEIN B

(Pyrococcus
furiosus) 		PF02421
(FeoB_N) 		5 LEU A 240
LYS A 243
VAL A 251
TYR A 177
LEU A 211
 None
 1.26A 5cymA-3k53A:
undetectable		 5cymA-3k53A:
22.40
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.
3l2e GLYCOCYAMINE KINASE
ALPHA CHAIN

(Namalycastis
sp. ST01) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 PRO A 120
LEU A 122
VAL A 248
VAL A 302
TYR A 290
 None
 1.14A 5cymA-3l2eA:
3.3		 5cymA-3l2eA:
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 PRO A  54
LEU A 340
LYS A 160
TYR A 153
TYR A 252
 None
 1.21A 5cymA-3l7gA:
undetectable		 5cymA-3l7gA:
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.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 LEU A  46
VAL A  85
VAL A  29
TRP A 122
LEU A 106
 None
None
GOL  A 563 ( 4.3A)
None
None
 1.41A 5cymA-3rcnA:
undetectable		 5cymA-3rcnA:
21.19
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 LEU A 386
TYR A 436
PHE A 425
LEU A 424
TYR A 383
 None
None
ADP  A1250 (-3.4A)
None
None
 1.13A 5cymA-3sfzA:
undetectable		 5cymA-3sfzA:
17.90
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.
3sng NUCLEASE

(Solanum
lycopersicum) 		PF02265
(S1-P1_nuclease) 		5 PRO A  55
LEU A  65
VAL A  72
PHE A 144
LEU A 143
 NAG  A 512 (-3.8A)
NAG  A 512 ( 4.3A)
None
None
None
 1.22A 5cymA-3sngA:
undetectable		 5cymA-3sngA:
18.55
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.
3u07 UNCHARACTERIZED
PROTEIN VPA0106

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		5 LEU A 164
VAL A 155
VAL A  96
PHE A 124
LEU A 111
 None
 1.26A 5cymA-3u07A:
undetectable		 5cymA-3u07A:
22.46
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.
3ubd RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		5 PRO A 196
LEU A 257
VAL A 170
TYR A 173
LEU A 177
 None
 1.49A 5cymA-3ubdA:
undetectable		 5cymA-3ubdA:
20.66
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.
4aej COLLAGEN
ALPHA-1(III) CHAIN

(Homo sapiens) 		PF01410
(COLFI) 		5 PRO A 225
VAL A 239
VAL A  89
TYR A 149
LEU A 171
 None
 1.48A 5cymA-4aejA:
undetectable		 5cymA-4aejA:
18.82
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.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 PRO A 638
LEU A 640
VAL A 590
VAL A 569
LEU A 663
 None
 1.43A 5cymA-4bp8A:
undetectable		 5cymA-4bp8A:
22.73
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.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF04054
(Not1) 		5 VAL A1802
VAL A1798
TYR A1792
PHE A1788
TYR A1839
 None
 1.47A 5cymA-4by6A:
undetectable		 5cymA-4by6A:
23.78
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.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 PRO A  24
VAL A 148
VAL A  62
TYR A  22
LEU A 314
 None
 1.50A 5cymA-4ewpA:
undetectable		 5cymA-4ewpA:
20.86
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.
4fdh CYTOCHROME P450
11B2, MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		5 PRO A  77
LEU A  93
VAL A 405
PHE A 417
LEU A 416
 None
 1.46A 5cymA-4fdhA:
undetectable		 5cymA-4fdhA:
21.32
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.
4fqn MALCAVERNIN

(Homo sapiens) 		PF16545
(CCM2_C) 		5 LEU A 338
TYR A 325
PHE A 356
LEU A 353
TYR A 342
 None
 1.44A 5cymA-4fqnA:
undetectable		 5cymA-4fqnA:
10.97
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.
4gdl AUTOPHAGY PROTEIN 5

(Homo sapiens) 		PF04106
(APG5) 		5 LEU B  45
VAL B 102
VAL B  52
TRP B  98
LEU B  77
 None
 1.23A 5cymA-4gdlB:
undetectable		 5cymA-4gdlB:
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.
4gxb SORTING NEXIN-17

(Homo sapiens) 		no annotation 5 LEU A 376
VAL A 362
TYR A 352
PHE A 313
LEU A 297
 None
 1.41A 5cymA-4gxbA:
undetectable		 5cymA-4gxbA:
18.76
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.
4nqg MITROCOMIN

(Mitrocoma
cellularia) 		PF13202
(EF-hand_5) 		5 LEU A  56
LYS A 126
VAL A 132
PHE A 121
LEU A 120
 None
None
None
None
CZH  A 201 (-4.9A)
 1.43A 5cymA-4nqgA:
undetectable		 5cymA-4nqgA:
16.42
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.
4rml LATROPHILIN-3

(Mus musculus) 		PF02191
(OLF) 		5 LEU A 444
VAL A 423
VAL A 391
TYR A 389
LEU A 457
 None
 1.22A 5cymA-4rmlA:
undetectable		 5cymA-4rmlA:
18.68
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.
4tpt LIM DOMAIN KINASE 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 PRO A 616
LYS A 433
VAL A 429
PHE A 576
LEU A 579
 None
 1.41A 5cymA-4tptA:
undetectable		 5cymA-4tptA:
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 LEU A  97
VAL A 173
VAL A  89
TRP A 177
LEU A 165
 None
 1.49A 5cymA-4txkA:
undetectable		 5cymA-4txkA:
22.42
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.
4wcj POLYSACCHARIDE
DEACETYLASE

(Ammonifex
degensii) 		PF01522
(Polysacc_deac_1) 		5 LEU A 242
VAL A  89
VAL A  40
TYR A  97
TYR A 219
 None
 1.33A 5cymA-4wcjA:
1.5		 5cymA-4wcjA:
18.89
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.
4ykc MALCAVERNIN

(Homo sapiens) 		PF16545
(CCM2_C) 		5 LEU A 338
TYR A 325
PHE A 356
LEU A 353
TYR A 342
 None
 1.50A 5cymA-4ykcA:
undetectable		 5cymA-4ykcA:
14.00
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.
4zr0 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 LEU A 243
TYR A 322
TYR A 319
PHE A 288
LEU A 291
 None
 1.33A 5cymA-4zr0A:
undetectable		 5cymA-4zr0A:
21.92
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.
4zr1 CERAMIDE VERY LONG
CHAIN FATTY ACID
HYDROXYLASE SCS7

(Saccharomyces
cerevisiae) 		PF04116
(FA_hydroxylase) 		5 LEU A 243
TYR A 322
TYR A 319
PHE A 288
LEU A 291
 None
None
None
TRD  A 409 (-4.7A)
TRD  A 409 ( 4.4A)
 1.33A 5cymA-4zr1A:
undetectable		 5cymA-4zr1A:
18.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LYS B 103
VAL B 106
VAL B 179
TYR B 181
TYR B 188
 None
 0.73A 5cymA-5c24B:
11.7		 5cymA-5c24B:
96.70
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.
5fka STAPHYLOCOCCAL
ENTEROTOXIN E

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		5 LEU C 169
LYS C  15
TYR C 231
LEU C 198
TYR C 170
 None
 1.21A 5cymA-5fkaC:
undetectable		 5cymA-5fkaC:
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.
5hl6 PUTATIVE GAF SENSOR
PROTEIN

(Burkholderia
vietnamiensis) 		PF13185
(GAF_2) 		5 LEU A  19
VAL A 134
TYR A  45
LEU A  48
TYR A  16
 None
 1.25A 5cymA-5hl6A:
undetectable		 5cymA-5hl6A:
14.18
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.
5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE

(Escherichia
coli;
Homo sapiens) 		no annotation 5 PRO C1086
VAL C1078
VAL C1134
PHE C1061
LEU C1029
 None
 1.45A 5cymA-5jj4C:
undetectable		 5cymA-5jj4C:
21.24
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		5 LEU A 387
VAL A 211
VAL A 129
PHE A 401
LEU A 407
 None
 1.49A 5cymA-5k9tA:
undetectable		 5cymA-5k9tA:
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.
5m5e CYTOKINE RECEPTOR
COMMON SUBUNIT GAMMA

(Homo sapiens) 		PF00041
(fn3)
PF09240
(IL6Ra-bind) 		5 LEU C 140
VAL C 165
TYR C 197
TYR C 167
PHE C 186
 None
 1.47A 5cymA-5m5eC:
undetectable		 5cymA-5m5eC:
17.41
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 PRO A  90
LEU A  79
VAL A 189
PHE A 100
LEU A  97
 None
 1.46A 5cymA-5o1mA:
undetectable		 5cymA-5o1mA:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LEU A  99
LYS A 102
VAL A 105
LEU A 233
TYR A 317
 None
 0.84A 5cymA-5ovnA:
25.9		 5cymA-5ovnA:
53.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 PRO A  94
LEU A  99
VAL A 105
LEU A 233
TYR A 317
 None
 1.02A 5cymA-5ovnA:
25.9		 5cymA-5ovnA:
53.92
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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		5 PRO A 212
LEU A 195
VAL A 150
PHE A 201
LEU A 198
 None
 1.34A 5cymA-5visA:
1.6		 5cymA-5visA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wt7 PERIOSTIN

(Homo sapiens) 		no annotation 5 LEU A   7
VAL A 131
TYR A  73
PHE A  17
LEU A  11
 None
 1.38A 5cymA-5wt7A:
undetectable		 5cymA-5wt7A:
11.03
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.
5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1

(Homo sapiens) 		PF00400
(WD40)
PF00931
(NB-ARC) 		5 LEU A 386
TYR A 436
PHE A 425
LEU A 424
TYR A 383
 None
 1.23A 5cymA-5wveA:
1.2		 5cymA-5wveA:
19.67