SIMILAR PATTERNS OF AMINO ACIDS FOR 3CYX_A_ROCA201

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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.55A 3cyxA-1cziE:
6.8		 3cyxA-1cziE:
17.07
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.
1dl3 PROTEIN
(PHOSPHORIBOSYLANTRA
NILATE ISOMERASE)

(Thermotoga
maritima) 		PF00697
(PRAI) 		5 GLY A  22
ALA A  23
VAL A   2
VAL A 179
ILE A   6
 None
None
None
SO4  A 300 (-4.0A)
None
 0.86A 3cyxA-1dl3A:
undetectable		 3cyxA-1dl3A:
17.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.62A 3cyxA-1hvcA:
14.1		 3cyxA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.55A 3cyxA-1hvcA:
14.1		 3cyxA-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.47A 3cyxA-1hvcA:
14.1		 3cyxA-1hvcA:
46.31
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASP A  37
ILE A 120
 None
 0.67A 3cyxA-1mppA:
7.3		 3cyxA-1mppA:
14.40
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 LEU A 191
ALA A 150
ASP A 149
ILE A  52
ILE A 154
 None
 1.03A 3cyxA-1mpxA:
undetectable		 3cyxA-1mpxA:
11.32
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.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		5 LEU C 245
GLY C 141
ASP C 146
GLY C 152
VAL C 153
 None
 1.00A 3cyxA-1odtC:
undetectable		 3cyxA-1odtC:
15.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
 0.60A 3cyxA-1q9pA:
9.9		 3cyxA-1q9pA:
98.95
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.
1r8o KUNITZ TRYPSIN
INHIBITOR

(Copaifera
langsdorffii) 		PF00197
(Kunitz_legume) 		5 ASP B 127
ASP B 139
VAL A  31
VAL B 143
ILE B 141
 None
 0.91A 3cyxA-1r8oB:
undetectable		 3cyxA-1r8oB:
29.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.48A 3cyxA-1sivA:
18.4		 3cyxA-1sivA:
50.98
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 LEU A 252
GLY A  35
PRO A 261
VAL A 260
ILE A 258
 None
 1.02A 3cyxA-1wacA:
undetectable		 3cyxA-1wacA:
10.08
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 293
ALA A 292
VAL A 234
VAL A 342
ILE A 238
 None
 1.07A 3cyxA-1xhbA:
undetectable		 3cyxA-1xhbA:
14.01
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.
1ywf PHOSPHOTYROSINE
PROTEIN PHOSPHATASE
PTPB

(Mycobacterium
tuberculosis) 		PF13350
(Y_phosphatase3) 		5 GLY A 261
ALA A 260
ASP A 259
GLY A 254
VAL A 174
 None
 1.03A 3cyxA-1ywfA:
undetectable		 3cyxA-1ywfA:
19.66
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.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 319
ALA A 318
VAL A 262
VAL A 368
ILE A 266
 NGA  A 702 (-3.7A)
NGA  A 702 (-3.0A)
None
None
NGA  A 702 ( 4.6A)
 0.98A 3cyxA-2d7iA:
undetectable		 3cyxA-2d7iA:
10.70
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.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 308
ALA A 307
VAL A 249
VAL A 357
ILE A 253
 None
 0.95A 3cyxA-2ffuA:
undetectable		 3cyxA-2ffuA:
11.61
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A  54
GLY A  36
ALA A  37
GLY A 438
ILE A  27
 None
None
None
FAD  A1000 (-3.5A)
None
 0.83A 3cyxA-2fjaA:
undetectable		 3cyxA-2fjaA:
10.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
VAL A  56
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.54A 3cyxA-2fmbA:
14.7		 3cyxA-2fmbA:
34.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fsn HYPOTHETICAL PROTEIN
TA0583

(Thermoplasma
acidophilum) 		no annotation 5 LEU A 255
GLY A 205
ILE A 175
GLY A 284
ILE A 290
 None
None
None
ADP  A 328 ( 4.3A)
None
 0.99A 3cyxA-2fsnA:
undetectable		 3cyxA-2fsnA:
15.71
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		5 LEU A 350
GLY A 374
ALA A  50
VAL A 208
ILE A 210
 None
 1.04A 3cyxA-2gmhA:
undetectable		 3cyxA-2gmhA:
10.52
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.93A 3cyxA-2h00A:
undetectable		 3cyxA-2h00A:
18.99
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  39
ALA A  38
ILE A  62
GLY A 115
ILE A  35
 None
 0.94A 3cyxA-2h6eA:
undetectable		 3cyxA-2h6eA:
14.94
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.
2hjh NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592) 		5 LEU A 509
ALA A 517
ILE A 329
VAL A 493
ILE A 495
 None
 0.98A 3cyxA-2hjhA:
undetectable		 3cyxA-2hjhA:
14.84
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 271
ALA A 255
GLY A 299
VAL A 306
ILE A 252
 None
None
None
SO4  A 500 (-3.2A)
None
 1.01A 3cyxA-2isqA:
undetectable		 3cyxA-2isqA:
16.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.57A 3cyxA-2rkfA:
20.7		 3cyxA-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		6 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.29A 3cyxA-2rspA:
12.7		 3cyxA-2rspA:
32.80
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.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 136
GLY A 251
ALA A  36
VAL A  93
ILE A  95
 None
 0.92A 3cyxA-2v6bA:
undetectable		 3cyxA-2v6bA:
19.61
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.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris) 		PF06180
(CbiK) 		5 LEU A 233
VAL A 198
PRO A 148
VAL A 204
ILE A 238
 None
GOL  A1281 (-4.0A)
None
None
None
 0.96A 3cyxA-2xvxA:
undetectable		 3cyxA-2xvxA:
17.74
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3cyxA-2ynmA:
undetectable		 3cyxA-2ynmA:
18.06
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.
2zuf ARGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 LEU A 620
GLY A 564
ALA A 563
ASP A 566
ILE A 572
 None
None
None
A  B 917 ( 4.9A)
None
 0.92A 3cyxA-2zufA:
undetectable		 3cyxA-2zufA:
10.20
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.
3bl5 QUEUOSINE
BIOSYNTHESIS PROTEIN
QUEC

(Bacillus
subtilis) 		PF06508
(QueC) 		5 LEU A 108
GLY A 113
ALA A 114
VAL A  33
ILE A   7
 None
 1.01A 3cyxA-3bl5A:
undetectable		 3cyxA-3bl5A:
17.94
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 ALA A  97
ASP A  96
GLY A  92
PRO A 254
ILE A  30
 None
 1.05A 3cyxA-3d43A:
undetectable		 3cyxA-3d43A:
16.13
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		5 LEU A 101
GLY A  95
ALA A  96
ILE A 111
ILE A 100
 None
 1.04A 3cyxA-3d79A:
undetectable		 3cyxA-3d79A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.75A 3cyxA-3dbgA:
undetectable		 3cyxA-3dbgA:
11.56
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.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 LEU A 285
GLY A 256
ALA A 257
ILE A 275
ILE A 288
 None
 1.07A 3cyxA-3e05A:
undetectable		 3cyxA-3e05A:
20.39
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 LEU A 295
GLY A 216
ALA A 215
PRO A 370
ILE A 291
 None
 1.06A 3cyxA-3ecdA:
undetectable		 3cyxA-3ecdA:
14.67
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.
3eh0 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2) 		5 LEU A 154
GLY A 139
ALA A 122
ILE A 106
ILE A 136
 None
 0.85A 3cyxA-3eh0A:
undetectable		 3cyxA-3eh0A:
13.27
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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 ALA A 141
ASP A 143
ILE A 120
VAL A  33
ILE A  26
 None
 1.07A 3cyxA-3f6rA:
undetectable		 3cyxA-3f6rA:
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.86A 3cyxA-3fbsA:
undetectable		 3cyxA-3fbsA:
17.06
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.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.81A 3cyxA-3fs2A:
undetectable		 3cyxA-3fs2A:
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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.89A 3cyxA-3hh1A:
undetectable		 3cyxA-3hh1A:
24.00
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.
3k88 CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 1

(Burkholderia
cepacia) 		PF01613
(Flavin_Reduct) 		5 GLY A1121
ALA A1122
ILE A1076
GLY A1080
VAL A1152
 None
 1.06A 3cyxA-3k88A:
undetectable		 3cyxA-3k88A:
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ALA A 568
VAL A 580
PRO A 614
VAL A 615
ILE A 617
 None
 0.93A 3cyxA-3lk6A:
undetectable		 3cyxA-3lk6A:
11.23
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 LEU A 301
ALA A 294
ASP A 295
GLY A 348
ILE A 299
 None
 0.87A 3cyxA-3lxdA:
undetectable		 3cyxA-3lxdA:
13.82
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.
3mt0 UNCHARACTERIZED
PROTEIN PA1789

(Pseudomonas
aeruginosa) 		PF00582
(Usp) 		5 LEU A  89
ALA A  24
GLY A  29
VAL A  30
ILE A   7
 None
 0.77A 3cyxA-3mt0A:
undetectable		 3cyxA-3mt0A:
16.84
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 310
ALA A 336
ASP A 337
VAL A 363
ILE A 149
 None
 1.00A 3cyxA-3mwcA:
undetectable		 3cyxA-3mwcA:
14.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 None
 0.66A 3cyxA-3mwsA:
20.1		 3cyxA-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.45A 3cyxA-3mwsA:
20.1		 3cyxA-3mwsA:
78.79
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A 224
ALA A 225
ASP A 226
VAL A 207
ILE A 261
 PO4  A 767 ( 4.6A)
None
None
None
None
 0.98A 3cyxA-3o8lA:
undetectable		 3cyxA-3o8lA:
8.32
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 GLY A 122
ALA A 121
ASP A 271
ILE A 269
ILE A 167
 None
 0.81A 3cyxA-3ogzA:
undetectable		 3cyxA-3ogzA:
10.25
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.32A 3cyxA-3slzA:
11.1		 3cyxA-3slzA:
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.75A 3cyxA-3t2yA:
undetectable		 3cyxA-3t2yA:
12.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.90A 3cyxA-3t3cA:
18.6		 3cyxA-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
 0.47A 3cyxA-3t3cA:
18.6		 3cyxA-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.56A 3cyxA-3ttpA:
19.7		 3cyxA-3ttpA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.50A 3cyxA-3ttpA:
19.7		 3cyxA-3ttpA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.62A 3cyxA-3u7sA:
19.9		 3cyxA-3u7sA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.60A 3cyxA-3uhlA:
16.1		 3cyxA-3uhlA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  82
 None
 0.29A 3cyxA-3uhlA:
16.1		 3cyxA-3uhlA:
79.80
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.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 1.01A 3cyxA-4bubA:
undetectable		 3cyxA-4bubA:
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.
4hpf POTASSIUM CHANNEL
SUBFAMILY U MEMBER 1

(Homo sapiens) 		PF03493
(BK_channel_a) 		5 LEU A 776
GLY A 784
ILE A 824
VAL A 752
ILE A 754
 None
 0.96A 3cyxA-4hpfA:
undetectable		 3cyxA-4hpfA:
10.19
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		5 LEU A 321
GLY A 290
ASP A 313
GLY A  29
VAL A 252
 None
 1.04A 3cyxA-4ia5A:
undetectable		 3cyxA-4ia5A:
11.05
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.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.67A 3cyxA-4k5uB:
undetectable		 3cyxA-4k5uB:
19.34
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.80A 3cyxA-4kt1A:
undetectable		 3cyxA-4kt1A:
10.69
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.
4l4w ESPG3

(Mycolicibacterium
smegmatis) 		PF14011
(ESX-1_EspG) 		5 LEU A  16
GLY A  21
ALA A  22
VAL A  68
ILE A  72
 None
 0.99A 3cyxA-4l4wA:
undetectable		 3cyxA-4l4wA:
14.68
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.
4lcb CELL DIVISION
PROTEIN CDVC, VPS4

(Acidianus
hospitalis) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 LEU A 133
ALA A 108
PRO A 265
VAL A 264
ILE A 262
 None
 1.04A 3cyxA-4lcbA:
undetectable		 3cyxA-4lcbA:
14.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.57A 3cyxA-4njvA:
20.9		 3cyxA-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.43A 3cyxA-4njvA:
20.9		 3cyxA-4njvA:
83.84
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 LEU A  56
GLY A  69
VAL A  95
VAL A  63
ILE A  65
 None
 1.06A 3cyxA-4phbA:
undetectable		 3cyxA-4phbA:
14.95
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.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		5 LEU A 307
ALA A 292
ILE A 455
VAL A 276
ILE A 274
 None
 1.03A 3cyxA-4pxnA:
undetectable		 3cyxA-4pxnA:
11.35
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.
4qxe LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, LINKER,
VARIABLE LYMPHOCYTE
RECEPTOR B

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.89A 3cyxA-4qxeA:
undetectable		 3cyxA-4qxeA:
11.56
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.
4qxf LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.76A 3cyxA-4qxfA:
undetectable		 3cyxA-4qxfA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 110
ALA A  60
ILE A  44
GLY A  63
ILE A  86
 None
 0.98A 3cyxA-4r37A:
undetectable		 3cyxA-4r37A:
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.
4ruh CYTOSOLIC
NON-SPECIFIC
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 118
GLY A 135
ASP A 133
ASP A 132
GLY A 438
 None
None
MN  A 502 ( 4.8A)
MN  A 503 (-2.4A)
None
 1.01A 3cyxA-4ruhA:
undetectable		 3cyxA-4ruhA:
13.69
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.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A  92
ALA A  93
ASP A  94
GLY A  32
ILE A   9
 None
None
None
SO4  A1011 (-3.7A)
None
 1.02A 3cyxA-4u63A:
undetectable		 3cyxA-4u63A:
11.40
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.
4uml GANGLIOSIDE-INDUCED
DIFFERENTIATION-ASSO
CIATED PROTEIN 2

(Homo sapiens) 		PF01661
(Macro) 		5 LEU A 155
ALA A  70
ILE A  89
GLY A 117
ILE A 126
 None
 1.06A 3cyxA-4umlA:
undetectable		 3cyxA-4umlA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wer DIACYLGLYCEROL
KINASE CATALYTIC
DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF00781
(DAGK_cat) 		5 LEU A 279
GLY A 276
ASP A 130
VAL A 135
ILE A 281
 None
 1.06A 3cyxA-4werA:
undetectable		 3cyxA-4werA:
17.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		7 LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.55A 3cyxA-4ydfA:
12.7		 3cyxA-4ydfA:
32.17
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.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 388
ALA A 389
GLY A  60
VAL A  89
ILE A  93
 None
 0.86A 3cyxA-4zv4A:
undetectable		 3cyxA-4zv4A:
15.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.72A 3cyxA-5b18A:
18.2		 3cyxA-5b18A:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 None
 0.39A 3cyxA-5b18A:
18.2		 3cyxA-5b18A:
74.75
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.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 125
ASP A 447
GLY A 450
ALA A 449
ASP A 115
 None
 1.04A 3cyxA-5cwaA:
undetectable		 3cyxA-5cwaA:
11.18
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 LEU A  80
ASP A  67
ALA A  70
ASP A  91
VAL A  27
 None
None
None
SAH  A 301 (-2.7A)
None
 0.96A 3cyxA-5e1bA:
undetectable		 3cyxA-5e1bA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqq NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		5 GLY A1050
ALA A1087
ILE A1064
GLY A1084
VAL A1033
 None
 0.99A 3cyxA-5eqqA:
undetectable		 3cyxA-5eqqA:
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 GLY A 376
ALA A 377
ASP A 347
ILE A 241
ILE A 379
 None
 1.02A 3cyxA-5habA:
undetectable		 3cyxA-5habA:
12.75
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.
5m5j THIOREDOXIN
REDUCTASE

(Giardia
intestinalis) 		PF07992
(Pyr_redox_2) 		5 GLY A  22
ALA A  21
GLY A  14
VAL A  36
ILE A 111
 None
None
FAD  A1001 (-3.3A)
FAD  A1001 (-4.4A)
None
 1.03A 3cyxA-5m5jA:
undetectable		 3cyxA-5m5jA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 LEU B 246
GLY B 436
ALA B 437
ILE B 444
ILE B  27
 None
 0.90A 3cyxA-5n28B:
undetectable		 3cyxA-5n28B:
13.02
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 5 GLY A 308
ALA A 307
VAL A 249
VAL A 357
ILE A 253
 EDO  A 604 (-3.7A)
EDO  A 605 ( 3.4A)
None
None
LU2  A 608 ( 4.0A)
 0.96A 3cyxA-5ndfA:
undetectable		 3cyxA-5ndfA:
10.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.58A 3cyxA-5t2zA:
20.0		 3cyxA-5t2zA:
79.80
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.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		5 GLY A 121
ALA A 122
ILE A 142
GLY A  96
VAL A  97
 None
 0.84A 3cyxA-5tiiA:
undetectable		 3cyxA-5tiiA:
17.86
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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 GLY B  88
ALA B  89
ASP B  90
VAL B  59
ILE B  80
 None
 0.81A 3cyxA-5ve3B:
undetectable		 3cyxA-5ve3B:
14.53
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.
5vm2 ALCOHOL
DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 237
ALA A 238
ASP A 239
VAL A 199
ILE A 173
 None
 0.83A 3cyxA-5vm2A:
undetectable		 3cyxA-5vm2A:
15.83
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.
5w7q CONSENSUS ELONGATION
FACTOR

(synthetic
construct) 		no annotation 5 LEU A 104
ASP A 162
GLY A 127
VAL A 126
ILE A 131
 None
 1.07A 3cyxA-5w7qA:
undetectable		 3cyxA-5w7qA:
25.49
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.
6ap6 PROBABLE
STRIGOLACTONE
ESTERASE DAD2

(Petunia x
hybrida) 		no annotation 5 GLY A 120
ALA A 121
ILE A 103
VAL A  93
ILE A 211
 None
 0.89A 3cyxA-6ap6A:
undetectable		 3cyxA-6ap6A:
17.31
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.
6bk7 ELONGATION FACTOR G

(Enterococcus
faecalis) 		no annotation 5 GLY A  22
ALA A  21
ASP A  20
GLY A  84
VAL A 103
 None
 0.99A 3cyxA-6bk7A:
undetectable		 3cyxA-6bk7A:
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.
6dg4 ULP1-LIKE SUMO
PROTEASE

(Chaetomium
thermophilum) 		no annotation 5 LEU A  53
GLY A  67
ALA A  68
GLY A 243
ILE A 235
 None
 1.04A 3cyxA-6dg4A:
undetectable		 3cyxA-6dg4A:
17.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  59
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
 0.36A 3cyxA-6fivA:
15.4		 3cyxA-6fivA:
31.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.50A 3cyxA-6fivA:
15.4		 3cyxA-6fivA:
31.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.78A 3cyxA-6upjA:
18.0		 3cyxA-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.66A 3cyxA-6upjA:
18.0		 3cyxA-6upjA:
48.48
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.
1e0t PYRUVATE KINASE

(Escherichia
coli) 		PF00224
(PK)
PF02887
(PK_C) 		3 ARG A 385
VAL A 452
THR A 462
 None
 0.77A 3cyxA-1e0tA:
0.0		 3cyxA-1e0tA:
12.61
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.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		3 ARG A 147
VAL A 134
THR A  96
 None
 0.71A 3cyxA-1hvyA:
0.0		 3cyxA-1hvyA:
17.86
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.
1i41 CYSTATHIONINE
GAMMA-SYNTHASE

(Nicotiana
tabacum) 		PF01053
(Cys_Met_Meta_PP) 		3 ARG A 412
VAL A 366
THR A 373
 None
 0.79A 3cyxA-1i41A:
undetectable		 3cyxA-1i41A:
13.74
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.
1msb MANNOSE-BINDING
PROTEIN-A

(Rattus rattus) 		PF00059
(Lectin_C) 		3 ARG A 118
VAL A 150
THR A 114
 None
 0.72A 3cyxA-1msbA:
undetectable		 3cyxA-1msbA:
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ARG A  81
VAL A 293
THR A  96
 None
 0.66A 3cyxA-1o99A:
0.0		 3cyxA-1o99A:
12.85
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.
1qpo QUINOLINATE ACID
PHOSPHORIBOSYL
TRANSFERASE

(Mycobacterium
tuberculosis) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		3 ARG A 277
VAL A  84
THR A  47
 None
 0.84A 3cyxA-1qpoA:
0.0		 3cyxA-1qpoA:
15.49
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.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		3 ARG A  47
VAL A  61
THR A  38
 None
 0.75A 3cyxA-1ralA:
0.0		 3cyxA-1ralA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		3 ARG A 725
VAL A 659
THR A 687
 None
 0.84A 3cyxA-1sy7A:
0.0		 3cyxA-1sy7A:
9.48
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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		3 ARG A 141
VAL A 131
THR A  26
 None
 0.75A 3cyxA-1tqhA:
0.0		 3cyxA-1tqhA:
19.67
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.
1ysm CALCYCLIN-BINDING
PROTEIN

(Mus musculus) 		PF09032
(Siah-Interact_N) 		3 ARG A  24
VAL A  15
THR A  30
 None
 0.79A 3cyxA-1ysmA:
undetectable		 3cyxA-1ysmA:
20.59
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.
2egu CYSTEINE SYNTHASE

(Geobacillus
kaustophilus) 		PF00291
(PALP) 		3 ARG A 124
VAL A  94
THR A 117
 None
 0.84A 3cyxA-2eguA:
undetectable		 3cyxA-2eguA:
16.50
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.
2fbo VARIABLE
REGION-CONTAINING
CHITIN-BINDING
PROTEIN 3

(Branchiostoma
floridae) 		PF07686
(V-set) 		3 ARG J 106
VAL J 131
THR J 135
 None
 0.76A 3cyxA-2fboJ:
undetectable		 3cyxA-2fboJ:
16.40
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.
2gca FOLYLPOLYGLUTAMATE
SYNTHASE

(Lactobacillus
casei) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 ARG A  78
VAL A  99
THR A   6
 None
 0.71A 3cyxA-2gcaA:
undetectable		 3cyxA-2gcaA:
13.22
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.
2gli PROTEIN (FIVE-FINGER
GLI)

(Homo sapiens) 		PF00096
(zf-C2H2) 		3 ARG A 183
VAL A 122
THR A 165
 None
 0.78A 3cyxA-2gliA:
undetectable		 3cyxA-2gliA:
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.
2gsz TWITCHING MOTILITY
PROTEIN PILT

(Aquifex
aeolicus) 		PF00437
(T2SSE) 		3 ARG A 252
VAL A 215
THR A 223
 None
 0.72A 3cyxA-2gszA:
undetectable		 3cyxA-2gszA:
16.20
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.
2hdn ELONGATION FACTOR
EF-TU

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		3 ARG B 123
VAL B 132
THR B 167
 None
 0.74A 3cyxA-2hdnB:
undetectable		 3cyxA-2hdnB:
17.08
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.
2ijc HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF02627
(CMD) 		3 ARG A 135
VAL A  38
THR A  92
 None
 0.85A 3cyxA-2ijcA:
undetectable		 3cyxA-2ijcA:
18.38
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.
2mgq HOMEOBOX PROTEIN
CEH-37

(Caenorhabditis
elegans) 		PF00046
(Homeobox) 		3 ARG A  14
VAL A  38
THR A  22
 None
 0.70A 3cyxA-2mgqA:
undetectable		 3cyxA-2mgqA:
20.21
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.
2o4d HYPOTHETICAL PROTEIN
PA0269

(Pseudomonas
aeruginosa) 		PF02627
(CMD) 		3 ARG A 135
VAL A  38
THR A  92
 None
 0.83A 3cyxA-2o4dA:
undetectable		 3cyxA-2o4dA:
16.67
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.
2vos FOLYLPOLYGLUTAMATE
SYNTHASE PROTEIN
FOLC

(Mycobacterium
tuberculosis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 ARG A  82
VAL A  88
THR A  95
 GOL  A1497 (-4.5A)
None
None
 0.58A 3cyxA-2vosA:
undetectable		 3cyxA-2vosA:
11.59
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.
2x36 LON PROTEASE
HOMOLOG,
MITOCHONDRIAL

(Homo sapiens) 		PF05362
(Lon_C) 		3 ARG A 871
VAL A 764
THR A 760
 None
 0.87A 3cyxA-2x36A:
undetectable		 3cyxA-2x36A:
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.
2xhc TRANSCRIPTION
ANTITERMINATION
PROTEIN NUSG

(Thermotoga
maritima) 		PF00467
(KOW)
PF02357
(NusG) 		3 ARG A 222
VAL A 101
THR A 110
 None
 0.86A 3cyxA-2xhcA:
undetectable		 3cyxA-2xhcA:
14.16
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		3 ARG A 158
VAL A 284
THR A 287
 None
 0.72A 3cyxA-2xymA:
undetectable		 3cyxA-2xymA:
10.62
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.
2yn2 UNCHARACTERIZED
PROTEIN YNL108C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		3 ARG A  14
VAL A  90
THR A 171
 FMT  A1264 (-4.0A)
None
None
 0.85A 3cyxA-2yn2A:
undetectable		 3cyxA-2yn2A:
17.48
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.
2z99 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF04079
(SMC_ScpB) 		3 ARG A 150
VAL A 140
THR A 117
 None
 0.79A 3cyxA-2z99A:
undetectable		 3cyxA-2z99A:
19.16
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		3 ARG A 663
VAL A 641
THR A 668
 None
 0.80A 3cyxA-3aqpA:
undetectable		 3cyxA-3aqpA:
9.81
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ARG A 544
VAL A  53
THR A 118
 None
 0.74A 3cyxA-3b96A:
undetectable		 3cyxA-3b96A:
8.83
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		3 ARG A 701
VAL A 645
THR A 675
 None
 0.83A 3cyxA-3e1sA:
undetectable		 3cyxA-3e1sA:
11.42
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.
3eb6 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF13920
(zf-C3HC4_3) 		3 ARG A 555
VAL A 568
THR A 601
 None
 0.87A 3cyxA-3eb6A:
undetectable		 3cyxA-3eb6A:
18.95
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.
3f00 SYNAPTOTAGMIN-1

(Homo sapiens) 		PF00168
(C2) 		3 ARG A 199
VAL A 181
THR A 195
 SO4  A 268 (-3.8A)
None
None
 0.86A 3cyxA-3f00A:
undetectable		 3cyxA-3f00A:
20.55
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.
3gsz RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		3 ARG A 158
VAL A 284
THR A 287
 None
 0.68A 3cyxA-3gszA:
undetectable		 3cyxA-3gszA:
11.62
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.
3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Methanocaldococcus
jannaschii) 		PF06026
(Rib_5-P_isom_A) 		3 ARG A 161
VAL A 202
THR A 104
 None
 0.79A 3cyxA-3ixqA:
undetectable		 3cyxA-3ixqA:
17.98
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.
3j26 CAPSID PROTEIN V20

(Mimivirus-dependent
virus Sputnik) 		no annotation 3 ARG A 285
VAL A 483
THR A 469
 None
 0.79A 3cyxA-3j26A:
undetectable		 3cyxA-3j26A:
10.93
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 ARG A 471
VAL A 572
THR A 558
 None
 0.59A 3cyxA-3mosA:
undetectable		 3cyxA-3mosA:
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.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		3 ARG A 215
VAL A 247
THR A 226
 None
 0.83A 3cyxA-3no5A:
undetectable		 3cyxA-3no5A:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3orw PHOSPHOTRIESTERASE

(Geobacillus
kaustophilus) 		PF02126
(PTE) 		3 ARG A 245
VAL A 291
THR A 267
 None
 0.81A 3cyxA-3orwA:
undetectable		 3cyxA-3orwA:
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.
3pxg NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N) 		3 ARG A 235
VAL A 239
THR A 171
 None
 0.83A 3cyxA-3pxgA:
undetectable		 3cyxA-3pxgA:
13.84
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.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		3 ARG A 235
VAL A 239
THR A 171
 None
 0.83A 3cyxA-3pxiA:
undetectable		 3cyxA-3pxiA:
9.88
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		3 ARG A 168
VAL A 154
THR A 114
 None
 0.75A 3cyxA-3qp9A:
undetectable		 3cyxA-3qp9A:
11.18
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 148
VAL A 153
THR A 159
 UNX  A 408 ( 4.2A)
None
None
 0.86A 3cyxA-3thuA:
undetectable		 3cyxA-3thuA:
14.01
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.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		3 ARG A 218
VAL A 182
THR A 214
 None
 0.85A 3cyxA-3tnxA:
undetectable		 3cyxA-3tnxA:
15.32
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.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 ARG A 472
VAL A 460
THR A 465
 None
 0.74A 3cyxA-3u9sA:
undetectable		 3cyxA-3u9sA:
9.05
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		3 ARG A 593
VAL A 578
THR A 573
 None
 0.85A 3cyxA-3v9fA:
undetectable		 3cyxA-3v9fA:
9.68
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 148
VAL A 153
THR A 159
 CO3  A 503 (-3.9A)
None
None
 0.85A 3cyxA-3vcnA:
undetectable		 3cyxA-3vcnA:
11.29
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.
3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD

(Thermococcus
kodakarensis) 		PF01924
(HypD) 		3 ARG B  84
VAL B  73
THR B 106
 None
 0.82A 3cyxA-3vysB:
undetectable		 3cyxA-3vysB:
12.94
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.
4auk RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M

(Escherichia
coli) 		PF01728
(FtsJ) 		3 ARG A 132
VAL A 105
THR A 124
 None
EDO  A1377 (-3.8A)
EDO  A1377 (-3.1A)
 0.81A 3cyxA-4aukA:
undetectable		 3cyxA-4aukA:
14.33
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.
4auq BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF13920
(zf-C3HC4_3) 		3 ARG B 250
VAL B 263
THR B 295
 None
 0.65A 3cyxA-4auqB:
undetectable		 3cyxA-4auqB:
18.18
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.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		3 ARG A 361
VAL A   4
THR A 376
 None
 0.78A 3cyxA-4dnhA:
undetectable		 3cyxA-4dnhA:
15.29
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.
4f62 GERANYLTRANSTRANSFER
ASE

(Marinomonas sp.
MED121) 		PF00348
(polyprenyl_synt) 		3 ARG A  13
VAL A  58
THR A 194
 None
 0.65A 3cyxA-4f62A:
undetectable		 3cyxA-4f62A:
16.85
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.
4fhr FLAGELLAR MOTOR
SWITCH PROTEIN FLIG

(Thermotoga
maritima) 		PF01706
(FliG_C)
PF14841
(FliG_M) 		3 ARG B 161
VAL B 173
THR B 168
 None
 0.67A 3cyxA-4fhrB:
undetectable		 3cyxA-4fhrB:
19.90
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.
4fp9 MTERF
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF02536
(mTERF) 		3 ARG B 162
VAL B 222
THR B 197
 SO4  B 401 ( 4.7A)
None
None
 0.66A 3cyxA-4fp9B:
undetectable		 3cyxA-4fp9B:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 ARG A 640
VAL A 554
THR A 556
 None
 0.83A 3cyxA-4fysA:
undetectable		 3cyxA-4fysA:
8.47
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.
4fzv MTERF
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF02536
(mTERF) 		3 ARG B 162
VAL B 222
THR B 197
 None
 0.54A 3cyxA-4fzvB:
undetectable		 3cyxA-4fzvB:
15.15
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.
4g56 HSL7 PROTEIN
MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40)
PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		3 ARG A  93
VAL B 290
THR B 249
 None
 0.87A 3cyxA-4g56A:
undetectable		 3cyxA-4g56A:
9.06
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.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Paraburkholderia
xenovorans;
Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ARG A 344
VAL A 322
THR A 309
 None
 0.82A 3cyxA-4gxrA:
undetectable		 3cyxA-4gxrA:
11.13
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.
4huq UNCHARACTERIZED
PROTEIN

(Lactobacillus
brevis) 		PF12822
(ECF_trnsprt) 		3 ARG S 141
VAL S 111
THR S 149
 None
 0.77A 3cyxA-4huqS:
undetectable		 3cyxA-4huqS:
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.
4il3 STE24P

(Saccharomyces
mikatae) 		PF01435
(Peptidase_M48)
PF16491
(Peptidase_M48_N) 		3 ARG A  67
VAL A 423
THR A 420
 None
 0.85A 3cyxA-4il3A:
undetectable		 3cyxA-4il3A:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4io1 RIBOSE-5-PHOSPHATE
ISOMERASE A

(Francisella
tularensis) 		PF06026
(Rib_5-P_isom_A) 		3 ARG A 163
VAL A 199
THR A 107
 None
 0.85A 3cyxA-4io1A:
undetectable		 3cyxA-4io1A:
18.47
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.
4jeu SYNTAXIN-BINDING
PROTEIN 1

(Rattus
norvegicus) 		PF00995
(Sec1) 		3 ARG A 532
VAL A 565
THR A 557
 None
 0.87A 3cyxA-4jeuA:
undetectable		 3cyxA-4jeuA:
11.45
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.
4kt6 NICOTINE ADENINE
DINUCLEOTIDE
GLYCOHYDROLASE

(Streptococcus
pyogenes) 		PF07461
(NADase_NGA) 		3 ARG A 295
VAL A 280
THR A 275
 None
 0.86A 3cyxA-4kt6A:
undetectable		 3cyxA-4kt6A:
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.
4l4x AMPHI

(Streptomyces
nodosus) 		PF08659
(KR) 		3 ARG A 215
VAL A 201
THR A 161
 None
 0.72A 3cyxA-4l4xA:
undetectable		 3cyxA-4l4xA:
11.78
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		3 ARG A 385
VAL A 290
THR A 222
 None
 0.82A 3cyxA-4mh1A:
undetectable		 3cyxA-4mh1A:
11.48
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.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		3 ARG A 213
VAL A 221
THR A  21
 None
 0.78A 3cyxA-4ni5A:
undetectable		 3cyxA-4ni5A:
16.13
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.
4nox EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Chaetomium
thermophilum) 		PF08662
(eIF2A) 		3 ARG A 234
VAL A 204
THR A 200
 None
 0.80A 3cyxA-4noxA:
undetectable		 3cyxA-4noxA:
9.24
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.
4o4x TBPB

(Glaesserella
parasuis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		3 ARG A  62
VAL A  53
THR A 153
 None
 0.73A 3cyxA-4o4xA:
undetectable		 3cyxA-4o4xA:
11.41
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.
4o5m ISOVALERYL-COA
DEHYDROGENASE

(Brucella suis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ARG A 100
VAL A 302
THR A 312
 None
 0.29A 3cyxA-4o5mA:
undetectable		 3cyxA-4o5mA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oxi ENTEROBACTIN
SYNTHETASE COMPONENT
F-RELATED PROTEIN

(Vibrio cholerae) 		PF00501
(AMP-binding) 		3 ARG A  33
VAL A 181
THR A  62
 None
 0.86A 3cyxA-4oxiA:
undetectable		 3cyxA-4oxiA:
10.38
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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		3 ARG A 274
VAL A 206
THR A 263
 None
 0.85A 3cyxA-4p2lA:
undetectable		 3cyxA-4p2lA:
10.59
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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 3 ARG K 212
VAL K 202
THR K 274
 None
 0.87A 3cyxA-4q66K:
undetectable		 3cyxA-4q66K:
9.35
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.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		3 ARG A 402
VAL A 222
THR A 114
 None
 0.73A 3cyxA-4r1zA:
undetectable		 3cyxA-4r1zA:
11.68
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.
4z9a LOW MOLECULAR WEIGHT
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Homo sapiens) 		PF01451
(LMWPc) 		3 ARG A  97
VAL A  11
THR A  46
 None
 0.63A 3cyxA-4z9aA:
undetectable		 3cyxA-4z9aA:
19.53
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		3 ARG A  88
VAL A 164
THR A 110
 EDO  A1572 (-2.7A)
None
None
 0.72A 3cyxA-5a29A:
undetectable		 3cyxA-5a29A:
10.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aa4 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE F

(Pseudomonas
aeruginosa) 		PF00497
(SBP_bac_3)
PF01464
(SLT) 		3 ARG B 190
VAL B 202
THR B 200
 None
 0.84A 3cyxA-5aa4B:
undetectable		 3cyxA-5aa4B:
11.62
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.
5bn7 MALTODEXTRIN
GLUCOSIDASE

(Escherichia
coli) 		PF00128
(Alpha-amylase) 		3 ARG A 217
VAL A 248
THR A 213
 None
 0.44A 3cyxA-5bn7A:
undetectable		 3cyxA-5bn7A:
11.04
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.
5ftz CHITIN BINDING
PROTEIN

(Streptomyces
lividans) 		PF03067
(LPMO_10) 		3 ARG A 113
VAL A 104
THR A 102
 None
 0.76A 3cyxA-5ftzA:
undetectable		 3cyxA-5ftzA:
18.60
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.
5g52 VP3

(Deformed wing
virus) 		PF00073
(Rhv) 		3 ARG C  92
VAL C 331
THR C 345
 None
 0.73A 3cyxA-5g52C:
undetectable		 3cyxA-5g52C:
15.63
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.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 3 ARG G 483
VAL G 350
THR G 501
 None
 0.68A 3cyxA-5h0rG:
undetectable		 3cyxA-5h0rG:
12.23
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.
5i2t PERIODIC TRYPTOPHAN
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		3 ARG A 680
VAL A 684
THR A 582
 None
 0.76A 3cyxA-5i2tA:
undetectable		 3cyxA-5i2tA:
8.77
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		3 ARG A 387
VAL A 377
THR A 284
 None
 0.71A 3cyxA-5jwfA:
undetectable		 3cyxA-5jwfA:
10.47
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		3 ARG A 386
VAL A 376
THR A 283
 None
 0.58A 3cyxA-5jxkA:
undetectable		 3cyxA-5jxkA:
8.46
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.
5k1c UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 12
WD REPEAT-CONTAINING
PROTEIN 20

(Homo sapiens) 		PF00400
(WD40)
PF00443
(UCH) 		3 ARG A 277
VAL C  48
THR C 537
 None
 0.65A 3cyxA-5k1cA:
undetectable		 3cyxA-5k1cA:
12.34
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		3 ARG A 364
VAL A 369
THR A 335
 None
 0.79A 3cyxA-5lp4A:
undetectable		 3cyxA-5lp4A:
11.13
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		3 ARG T1618
VAL T1628
THR T1675
 None
 0.82A 3cyxA-5ojsT:
undetectable		 3cyxA-5ojsT:
2.41
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.
5tj7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP2

(Homo sapiens) 		PF00397
(WW)
PF00632
(HECT) 		3 ARG A 376
VAL A 366
THR A 353
 None
 0.71A 3cyxA-5tj7A:
undetectable		 3cyxA-5tj7A:
12.33
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.
5tr7 D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Vibrio cholerae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		3 ARG A 217
VAL A 258
THR A 261
 None
 0.70A 3cyxA-5tr7A:
undetectable		 3cyxA-5tr7A:
15.15
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.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		3 ARG A 424
VAL A 130
THR A 442
 None
 0.77A 3cyxA-5u2nA:
undetectable		 3cyxA-5u2nA:
10.50
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.
5vfe SYNAPTOTAGMIN-1

(Mus musculus) 		no annotation 3 ARG A 199
VAL A 181
THR A 195
 None
 0.87A 3cyxA-5vfeA:
undetectable		 3cyxA-5vfeA:
18.18
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.
5wm4 SALICYLATE-AMP
LIGASE

(Streptomyces
gandocaensis) 		no annotation 3 ARG A 322
VAL A 274
THR A 267
 ACT  A 604 (-3.9A)
None
None
 0.77A 3cyxA-5wm4A:
undetectable		 3cyxA-5wm4A:
16.84
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.
5x5v GD

(Suid
alphaherpesvirus
1) 		PF01537
(Herpes_glycop_D) 		3 ARG A 166
VAL A  69
THR A  59
 None
 0.68A 3cyxA-5x5vA:
undetectable		 3cyxA-5x5vA:
13.72
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.
5xb0 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00254
(FKBP_C) 		3 ARG A 146
VAL A 222
THR A 184
 None
 0.70A 3cyxA-5xb0A:
undetectable		 3cyxA-5xb0A:
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 3 ARG A 379
VAL A 416
THR A  92
 None
 0.76A 3cyxA-5xmjA:
undetectable		 3cyxA-5xmjA:
24.49
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.
5xnw ADENYLATE CYCLASE
EXOY

(Pseudomonas
aeruginosa) 		no annotation 3 ARG A 286
VAL A  70
THR A 210
 None
 0.75A 3cyxA-5xnwA:
undetectable		 3cyxA-5xnwA:
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.
5xxu RIBOSOMAL PROTEIN
ES4

(Toxoplasma
gondii) 		PF00467
(KOW)
PF00900
(Ribosomal_S4e)
PF01479
(S4)
PF08071
(RS4NT)
PF16121
(40S_S4_C) 		3 ARG E 245
VAL E 225
THR E 220
 U  2 788 ( 4.2A)
None
G  2 750 ( 4.0A)
 0.39A 3cyxA-5xxuE:
undetectable		 3cyxA-5xxuE:
18.46
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.
5xyi 40S RIBOSOMAL
PROTEIN S4

(Trichomonas
vaginalis) 		PF00900
(Ribosomal_S4e)
PF01479
(S4)
PF08071
(RS4NT)
PF16121
(40S_S4_C) 		3 ARG E 245
VAL E 225
THR E 220
 U  2 635 ( 4.7A)
None
A  2 601 ( 4.5A)
 0.67A 3cyxA-5xyiE:
undetectable		 3cyxA-5xyiE:
19.37
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 3 ARG A 689
VAL A 263
THR A 602
 None
 0.76A 3cyxA-5yemA:
undetectable		 3cyxA-5yemA:
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.
5yvf -

(-) 		no annotation 3 ARG A 217
VAL A 145
THR A 140
 None
 0.57A 3cyxA-5yvfA:
undetectable		 3cyxA-5yvfA:
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.
6bq9 DNA TOPOISOMERASE 4
SUBUNIT A

(Pseudomonas
putida) 		no annotation 3 ARG A  36
VAL A 187
THR A 176
 CL  A 502 (-4.1A)
None
None
 0.83A 3cyxA-6bq9A:
undetectable		 3cyxA-6bq9A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 3 ARG A 929
VAL A 919
THR A 862
 None
 0.79A 3cyxA-6ez8A:
undetectable		 3cyxA-6ez8A:
15.31
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.
6f2t -

(-) 		no annotation 3 ARG A 592
VAL A 631
THR A 603
 None
 0.53A 3cyxA-6f2tA:
undetectable		 3cyxA-6f2tA:
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 3 ARG A 294
VAL A  15
THR A 302
 None
 0.68A 3cyxA-6f91A:
undetectable		 3cyxA-6f91A:
19.80
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.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 GLY A 244
ALA A 217
ILE A 182
GLY A 181
ILE A 214
 None
 0.95A 3cyxB-1auaA:
undetectable		 3cyxB-1auaA:
18.73
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.
1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase) 		5 GLY A 268
ALA A 267
GLY A 309
GLY A 308
ILE A 258
 None
 0.73A 3cyxB-1fsuA:
undetectable		 3cyxB-1fsuA:
13.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.81A 3cyxB-1hvcA:
14.0		 3cyxB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  48
GLY A  49
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 0.43A 3cyxB-1hvcA:
14.0		 3cyxB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.44A 3cyxB-1hvcA:
14.0		 3cyxB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.54A 3cyxB-1hvcA:
14.0		 3cyxB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  48
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.42A 3cyxB-1hvcA:
14.0		 3cyxB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.47A 3cyxB-1hvcA:
14.0		 3cyxB-1hvcA:
46.31
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.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		5 ALA A 123
ILE A 228
GLY A 227
GLY A 226
VAL A 225
 None
 0.92A 3cyxB-1j33A:
undetectable		 3cyxB-1j33A:
15.03
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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.88A 3cyxB-1kaeA:
undetectable		 3cyxB-1kaeA:
11.89
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 334
ILE A 313
GLY A 314
GLY A 315
ILE A 311
 None
NAD  A 987 (-4.5A)
NAD  A 987 (-4.1A)
None
None
 0.86A 3cyxB-1mewA:
undetectable		 3cyxB-1mewA:
12.40
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.
1mq0 CYTIDINE DEAMINASE

(Homo sapiens) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A 103
GLY A  39
VAL A  38
VAL A 115
ILE A  85
 None
None
BRD  A 148 (-4.2A)
None
None
 0.85A 3cyxB-1mq0A:
undetectable		 3cyxB-1mq0A:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
 0.41A 3cyxB-1q9pA:
10.2		 3cyxB-1q9pA:
98.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
PRO A  81
ILE A  84
 None
 0.73A 3cyxB-1q9pA:
10.2		 3cyxB-1q9pA:
98.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A   8
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
 0.68A 3cyxB-1sivA:
18.7		 3cyxB-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
 0.51A 3cyxB-1sivA:
18.7		 3cyxB-1sivA:
50.98
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.
1un9 DIHYDROXYACETONE
KINASE

(Citrobacter
freundii) 		PF02733
(Dak1)
PF02734
(Dak2) 		5 ALA A  90
GLY A  57
GLY A  56
VAL A  42
ILE A  40
 None
2HA  A1554 (-3.3A)
None
None
None
 0.91A 3cyxB-1un9A:
undetectable		 3cyxB-1un9A:
11.23
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A  40
ILE A 140
GLY A  98
GLY A  97
VAL A  96
 NAP  A 800 (-3.4A)
NAP  A 800 (-3.8A)
NAP  A 800 (-3.2A)
None
None
 0.96A 3cyxB-1vljA:
undetectable		 3cyxB-1vljA:
13.27
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A  41
ILE A 140
GLY A  98
GLY A  97
VAL A  96
 NAP  A 800 (-4.1A)
NAP  A 800 (-3.8A)
NAP  A 800 (-3.2A)
None
None
 0.91A 3cyxB-1vljA:
undetectable		 3cyxB-1vljA:
13.27
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.
1xat XENOBIOTIC
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep) 		5 GLY A  68
ALA A  69
ILE A 137
GLY A 138
ILE A  65
 None
 0.82A 3cyxB-1xatA:
undetectable		 3cyxB-1xatA:
19.79
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.
1xhd PUTATIVE
ACETYLTRANSFERASE/AC
YLTRANSFERASE

(Bacillus cereus) 		PF00132
(Hexapep) 		5 ALA A 112
ILE A  96
GLY A  97
GLY A 115
ILE A 126
 None
 0.74A 3cyxB-1xhdA:
undetectable		 3cyxB-1xhdA:
20.23
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 ALA A 476
ILE A 316
GLY A 321
GLY A 320
ILE A 480
 None
 0.82A 3cyxB-1y56A:
undetectable		 3cyxB-1y56A:
12.66
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.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		5 GLY A 358
ALA A 359
ILE A 408
GLY A 409
ILE A 355
 None
 0.79A 3cyxB-1yp4A:
undetectable		 3cyxB-1yp4A:
12.56
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.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
None
A70  A 500 (-4.8A)
 0.64A 3cyxB-1zapA:
7.2		 3cyxB-1zapA:
16.77
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 GLY A 280
ALA A 279
GLY A 272
VAL A 509
ILE A 485
 None
 0.91A 3cyxB-2aw5A:
undetectable		 3cyxB-2aw5A:
11.64
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ARG A  85
GLY A 237
ALA A 236
GLY A  28
ILE A  88
 None
 0.96A 3cyxB-2b4qA:
undetectable		 3cyxB-2b4qA:
19.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ALA A  28
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.63A 3cyxB-2fmbA:
15.0		 3cyxB-2fmbA:
34.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		11 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ILE A  53
GLY A  54
GLY A  55
VAL A  56
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.56A 3cyxB-2fmbA:
15.0		 3cyxB-2fmbA:
34.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fr5 CYTIDINE DEAMINASE

(Mus musculus) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A 103
GLY A  39
VAL A  38
VAL A 115
ILE A  85
 None
None
TYU  A1001 (-4.1A)
None
None
 0.79A 3cyxB-2fr5A:
undetectable		 3cyxB-2fr5A:
20.14
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 GLY A  84
ALA A  85
GLY A  69
VAL A 120
ILE A 118
 None
None
None
DTU  A2140 (-4.0A)
None
 0.90A 3cyxB-2h00A:
undetectable		 3cyxB-2h00A:
18.99
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 GLY A  17
ALA A  16
GLY A  10
GLY A   9
ILE A 107
 None
None
FAD  A 400 (-3.4A)
FAD  A 400 (-4.5A)
None
 0.82A 3cyxB-2q0lA:
undetectable		 3cyxB-2q0lA:
15.99
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  83
ILE A 123
 None
 0.58A 3cyxB-2qzwA:
7.3		 3cyxB-2qzwA:
14.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.28A 3cyxB-2rkfA:
20.8		 3cyxB-2rkfA:
81.82
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.
2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE

(Aquifex
aeolicus) 		PF04413
(Glycos_transf_N) 		5 GLY A 181
ALA A 180
ILE A 259
GLY A 257
VAL A 256
 None
 0.89A 3cyxB-2xciA:
undetectable		 3cyxB-2xciA:
15.41
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 GLY A 112
ALA A 113
ILE A 145
GLY A 146
ILE A 109
 None
 0.86A 3cyxB-3cj8A:
undetectable		 3cyxB-3cj8A:
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		5 GLY A 130
ALA A 131
ILE A 171
GLY A 172
ILE A 127
 None
 0.78A 3cyxB-3cj8A:
undetectable		 3cyxB-3cj8A:
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.
3dwb ENDOTHELIN-CONVERTIN
G ENZYME 1

(Homo sapiens) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 GLY A 674
ILE A 601
GLY A 600
GLY A 599
ILE A 471
 None
 0.78A 3cyxB-3dwbA:
undetectable		 3cyxB-3dwbA:
9.94
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.
3ee9 NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
ILE A 182
GLY A 183
GLY A 184
ILE A 128
 None
 0.80A 3cyxB-3ee9A:
undetectable		 3cyxB-3ee9A:
22.76
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.90A 3cyxB-3fbsA:
undetectable		 3cyxB-3fbsA:
17.06
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		5 GLY A  19
ALA A  18
GLY A  12
GLY A  11
ILE A 161
 None
None
FAD  A 600 (-3.6A)
None
None
 0.81A 3cyxB-3i3lA:
undetectable		 3cyxB-3i3lA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A4099
ALA A4098
ILE A3991
GLY A3992
GLY A3993
 None
 0.73A 3cyxB-3kciA:
undetectable		 3cyxB-3kciA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwg NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
ILE A 182
GLY A 183
GLY A 184
ILE A 128
 None
 0.77A 3cyxB-3kwgA:
undetectable		 3cyxB-3kwgA:
21.58
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.
3lnp AMIDOHYDROLASE
FAMILY PROTEIN
OLEI01672_1_465

(Oleispira
antarctica) 		PF01979
(Amidohydro_1) 		5 GLY A 207
ILE A  55
GLY A  54
VAL A 430
ILE A 384
 None
 0.87A 3cyxB-3lnpA:
undetectable		 3cyxB-3lnpA:
13.33
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  41
ILE A 102
GLY A 287
GLY A 288
VAL A 289
 None
 0.86A 3cyxB-3mqtA:
undetectable		 3cyxB-3mqtA:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
VAL A  82
ILE A  84
 None
 0.52A 3cyxB-3mwsA:
19.7		 3cyxB-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.33A 3cyxB-3mwsA:
19.7		 3cyxB-3mwsA:
78.79
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.
3o9t NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
ILE A 182
GLY A 183
GLY A 184
ILE A 128
 None
None
P6G  A5928 (-3.7A)
P6G  A5928 (-3.8A)
None
 0.79A 3cyxB-3o9tA:
undetectable		 3cyxB-3o9tA:
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.
3oz2 DIGERANYLGERANYLGLYC
EROPHOSPHOLIPID
REDUCTASE

(Thermoplasma
acidophilum) 		PF01494
(FAD_binding_3) 		5 ARG A 165
GLY A 282
GLY A  11
GLY A  10
VAL A   9
 None
FAD  A 501 (-3.5A)
FAD  A 501 ( 4.7A)
FAD  A 501 (-3.4A)
FAD  A 501 ( 4.8A)
 0.84A 3cyxB-3oz2A:
undetectable		 3cyxB-3oz2A:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 GLY A 185
ILE A 201
GLY A 202
GLY A 203
VAL A 204
 None
 0.93A 3cyxB-3pmoA:
undetectable		 3cyxB-3pmoA:
16.81
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 GLY A  17
ALA A  16
GLY A  10
GLY A   9
ILE A 108
 None
None
FAD  A 501 (-3.3A)
FAD  A 501 (-4.5A)
None
 0.84A 3cyxB-3r9uA:
undetectable		 3cyxB-3r9uA:
14.80
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 ASP A  45
ILE A  42
GLY A  11
GLY A  10
PRO A  18
 None
 0.86A 3cyxB-3s2uA:
undetectable		 3cyxB-3s2uA:
17.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.71A 3cyxB-3t3cA:
18.4		 3cyxB-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
 0.33A 3cyxB-3t3cA:
18.4		 3cyxB-3t3cA:
73.74
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.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 GLY A 144
ALA A 145
GLY A 224
GLY A 223
VAL A 222
 None
 0.92A 3cyxB-3tc8A:
undetectable		 3cyxB-3tc8A:
15.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.53A 3cyxB-3ttpA:
19.5		 3cyxB-3ttpA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-4.7A)
 0.68A 3cyxB-3ttpA:
19.5		 3cyxB-3ttpA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.53A 3cyxB-3u7sA:
19.8		 3cyxB-3u7sA:
75.76
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 GLY A 134
ALA A 135
GLY A  99
VAL A 170
ILE A 137
 None
 0.90A 3cyxB-3vcyA:
undetectable		 3cyxB-3vcyA:
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.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 ASP A 196
GLY A 197
ALA A 198
GLY A 233
GLY A 234
 None
 0.87A 3cyxB-4bhdA:
undetectable		 3cyxB-4bhdA:
12.65
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 302
ALA A 303
ILE A 389
GLY A 388
VAL A 317
 None
None
None
None
EDO  A1398 (-4.8A)
 0.93A 3cyxB-4c2kA:
undetectable		 3cyxB-4c2kA:
12.23
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 615
ALA A 614
GLY A 559
VAL A 517
VAL A 466
 None
 0.96A 3cyxB-4c7vA:
undetectable		 3cyxB-4c7vA:
9.92
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.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		5 GLY A 255
ALA A 256
ILE A 196
GLY A 200
GLY A 199
 None
 0.85A 3cyxB-4dn7A:
undetectable		 3cyxB-4dn7A:
13.29
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.
4i84 HEME/HEMOPEXIN-BINDI
NG PROTEIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 GLY A  93
ALA A  94
ILE A  41
GLY A  42
ILE A  90
 None
 0.91A 3cyxB-4i84A:
undetectable		 3cyxB-4i84A:
16.96
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT

(Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 ALA A 323
GLY A 226
GLY A 225
VAL A 301
ILE A 303
 FAD  A 401 (-3.6A)
FAD  A 401 (-3.1A)
None
None
None
 0.83A 3cyxB-4kpuA:
undetectable		 3cyxB-4kpuA:
15.88
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 234
GLY A 345
GLY A 166
VAL A 186
ILE A 236
 None
 0.84A 3cyxB-4ls5A:
undetectable		 3cyxB-4ls5A:
13.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.53A 3cyxB-4njvA:
20.2		 3cyxB-4njvA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.30A 3cyxB-4njvA:
20.2		 3cyxB-4njvA:
83.84
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASP A 170
GLY A 172
ALA A 173
PRO A 131
ILE A 165
 None
 0.91A 3cyxB-4o1eA:
undetectable		 3cyxB-4o1eA:
17.82
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.
4pls ARM00010

(synthetic
construct) 		PF00514
(Arm) 		5 ALA A 174
GLY A 168
GLY A 167
VAL A 133
ILE A 134
 None
 0.85A 3cyxB-4plsA:
undetectable		 3cyxB-4plsA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		5 GLY A 281
ALA A 280
GLY A  42
GLY A  43
ILE A 260
 None
 0.69A 3cyxB-4r2bA:
undetectable		 3cyxB-4r2bA:
13.57
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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		5 GLY A 281
ALA A 280
GLY A  43
VAL A 259
ILE A 260
 None
 0.90A 3cyxB-4r2bA:
undetectable		 3cyxB-4r2bA:
13.57
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  76
ILE A 116
 None
 0.72A 3cyxB-4y9wA:
7.5		 3cyxB-4y9wA:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ARG A  10
ASP A  32
GLY A  34
ALA A  35
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
 0.42A 3cyxB-4ydfA:
12.5		 3cyxB-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.8A)
 0.40A 3cyxB-4ydfA:
12.5		 3cyxB-4ydfA:
32.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.77A 3cyxB-4ydfA:
12.5		 3cyxB-4ydfA:
32.17
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.
4yec CLOSTRIPAIN FAMILY

(Parabacteroides
merdae) 		PF03415
(Peptidase_C11) 		5 GLY A  57
ALA A  58
GLY A  66
VAL A  70
ILE A  84
 None
 0.89A 3cyxB-4yecA:
undetectable		 3cyxB-4yecA:
20.63
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.
4yzo PUTATIVE ACYL-COA
ACYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 255
ILE A 284
GLY A 285
VAL A 351
ILE A 368
 None
 0.88A 3cyxB-4yzoA:
undetectable		 3cyxB-4yzoA:
14.95
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.
4zn0 THIOREDOXIN
REDUCTASE

(Methanosarcina
mazei) 		PF07992
(Pyr_redox_2) 		5 GLY A  20
ALA A  19
GLY A  13
GLY A  12
ILE A 107
 None
 0.85A 3cyxB-4zn0A:
undetectable		 3cyxB-4zn0A:
15.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 0.72A 3cyxB-5b18A:
18.2		 3cyxB-5b18A:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
ALA A  28
ASP A  30
GLY A  48
ILE A  84
 None
 0.55A 3cyxB-5b18A:
18.2		 3cyxB-5b18A:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
ALA A  28
GLY A  48
GLY A  49
ILE A  84
 None
 0.98A 3cyxB-5b18A:
18.2		 3cyxB-5b18A:
74.75
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.
5cer BD0816

(Bdellovibrio
bacteriovorus) 		PF02113
(Peptidase_S13) 		5 ASP A 136
ILE A 145
GLY A 146
GLY A 147
VAL A 148
 None
 0.97A 3cyxB-5cerA:
undetectable		 3cyxB-5cerA:
14.25
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		5 GLY A 279
ALA A 278
GLY A  39
GLY A  40
ILE A 258
 None
 0.73A 3cyxB-5dvjA:
undetectable		 3cyxB-5dvjA:
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		5 GLY A 279
ALA A 278
GLY A  39
VAL A 257
ILE A 258
 None
 0.95A 3cyxB-5dvjA:
undetectable		 3cyxB-5dvjA:
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		5 GLY A 279
ALA A 278
GLY A  40
VAL A 257
ILE A 258
 None
 0.93A 3cyxB-5dvjA:
undetectable		 3cyxB-5dvjA:
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 GLY A 500
ALA A 530
GLY A 534
GLY A 535
ILE A 458
 None
None
None
None
ACT  A 705 (-3.9A)
 0.86A 3cyxB-5iheA:
undetectable		 3cyxB-5iheA:
12.47
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.
5mfd YIIIM''6AII

(synthetic
construct) 		PF00514
(Arm) 		5 ALA A  90
GLY A  84
GLY A  83
VAL A  49
ILE A  50
 None
 0.85A 3cyxB-5mfdA:
undetectable		 3cyxB-5mfdA:
18.79
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.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 5 GLY A 417
ALA A 420
ASP A 422
GLY A 191
VAL A 192
 None
 0.71A 3cyxB-5o6vA:
undetectable		 3cyxB-5o6vA:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.44A 3cyxB-5t2zA:
20.3		 3cyxB-5t2zA:
79.80
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.
5ux9 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Aliivibrio
fischeri) 		PF00132
(Hexapep) 		5 GLY A  79
ALA A  80
ILE A 145
GLY A 146
ILE A  76
 None
 0.84A 3cyxB-5ux9A:
undetectable		 3cyxB-5ux9A:
18.65
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.
5vaz DNA PRIMASE

(Pseudomonas
aeruginosa) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13662
(Toprim_4) 		5 GLY A 159
GLY A 223
GLY A 222
VAL A 273
ILE A 274
 None
 0.91A 3cyxB-5vazA:
undetectable		 3cyxB-5vazA:
15.62
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 5 GLY A 192
ALA A 193
GLY A 155
VAL A 154
ILE A 196
 None
 0.83A 3cyxB-5xexA:
undetectable		 3cyxB-5xexA:
10.70
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.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 5 GLY A 192
ALA A 193
GLY A 155
VAL A 154
ILE A 196
 None
 0.86A 3cyxB-5yjjA:
undetectable		 3cyxB-5yjjA:
15.15
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.
6b92 U6 SMALL NUCLEAR RNA
(ADENINE-(43)-N(6))-
METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 GLY A 121
ALA A 122
GLY A 106
VAL A 157
ILE A 155
 None
 0.90A 3cyxB-6b92A:
undetectable		 3cyxB-6b92A:
16.83
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.
6dgk -

(-) 		no annotation 5 GLY A 158
ILE A 182
GLY A 183
GLY A 184
ILE A 128
 None
 0.79A 3cyxB-6dgkA:
undetectable		 3cyxB-6dgkA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A  13
ASP A  30
GLY A  32
ALA A  33
GLY A  58
VAL A  59
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
 0.32A 3cyxB-6fivA:
15.5		 3cyxB-6fivA:
31.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
ASP A  30
GLY A  32
ALA A  33
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
None
 0.32A 3cyxB-6fivA:
15.5		 3cyxB-6fivA:
31.67
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		5 GLY B 597
GLY B 525
GLY B 526
PRO B 533
VAL B 534
 None
 0.85A 3cyxB-6reqB:
undetectable		 3cyxB-6reqB:
8.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ARG A   8
GLY A  27
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.72A 3cyxB-6upjA:
17.9		 3cyxB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
None
 0.51A 3cyxB-6upjA:
17.9		 3cyxB-6upjA:
48.48
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.
1axd GLUTATHIONE
S-TRANSFERASE I

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU A 110
ASP A 133
VAL A 117
THR A 178
 None
 1.00A 3cyxB-1axdA:
undetectable		 3cyxB-1axdA:
18.64
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.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		4 LEU A  39
ASP A  86
VAL A  89
THR A  26
 None
 1.27A 3cyxB-1e6wA:
0.0		 3cyxB-1e6wA:
19.07
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.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16) 		4 LEU B 264
ASP B 345
VAL B 255
THR B 321
 None
 1.21A 3cyxB-1ezvB:
0.0		 3cyxB-1ezvB:
14.56
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		4 LEU A 234
ASP A 302
VAL A 380
THR A 382
 None
 1.20A 3cyxB-1gnxA:
undetectable		 3cyxB-1gnxA:
11.52
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.
1gvf TAGATOSE-BISPHOSPHAT
E ALDOLASE AGAY

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		4 LEU A 135
ASP A 202
VAL A 169
THR A 167
 None
 1.12A 3cyxB-1gvfA:
undetectable		 3cyxB-1gvfA:
15.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ASP A  29
VAL A  32
THR A  80
 A79  A 800 ( 3.8A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
None
 0.63A 3cyxB-1hvcA:
14.0		 3cyxB-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ASP A  29
VAL A  32
THR A  80
 A79  A 800 ( 4.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
None
 0.48A 3cyxB-1hvcA:
14.0		 3cyxB-1hvcA:
46.31
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.
1ile ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 LEU A 329
ASP A 443
VAL A 178
THR A 401
 None
 1.21A 3cyxB-1ileA:
0.0		 3cyxB-1ileA:
8.61
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.
1jzo THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBC

(Escherichia
coli) 		PF10411
(DsbC_N)
PF13098
(Thioredoxin_2) 		4 LEU A 173
ASP A  18
VAL A  36
THR A  63
 None
 1.07A 3cyxB-1jzoA:
0.0		 3cyxB-1jzoA:
17.12
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		4 LEU A 101
ASP A  84
VAL A 108
THR A   6
 None
 1.27A 3cyxB-1pn3A:
undetectable		 3cyxB-1pn3A:
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		4 LEU A  39
ASP A  86
VAL A  89
THR A  26
 None
 1.16A 3cyxB-1so8A:
undetectable		 3cyxB-1so8A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1spx SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5L265)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		4 LEU A  77
ASP A  66
VAL A  63
THR A  34
 None
 1.16A 3cyxB-1spxA:
undetectable		 3cyxB-1spxA:
15.83
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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		4 LEU A 178
ASP A  35
VAL A  40
THR A  91
 None
 1.16A 3cyxB-1upxA:
undetectable		 3cyxB-1upxA:
11.57
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 LEU A 218
ASP A 129
VAL A 197
THR A 139
 None
 1.01A 3cyxB-1v8bA:
undetectable		 3cyxB-1v8bA:
13.39
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.
1vpx PROTEIN
(TRANSALDOLASE (EC
2.2.1.2))

(Thermotoga
maritima) 		PF00923
(TAL_FSA) 		4 LEU A  73
ASP A  48
VAL A  54
THR A  27
 None
 1.18A 3cyxB-1vpxA:
undetectable		 3cyxB-1vpxA:
16.96
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.
1vqr HYPOTHETICAL PROTEIN
CJ0248

(Campylobacter
jejuni) 		PF08668
(HDOD) 		4 LEU A  51
ASP A  93
VAL A  90
THR A  22
 None
 0.99A 3cyxB-1vqrA:
undetectable		 3cyxB-1vqrA:
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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		4 LEU A 641
ASP A 580
VAL A 634
THR A 535
 None
 1.05A 3cyxB-1w27A:
undetectable		 3cyxB-1w27A:
9.02
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.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		4 LEU A 130
ASP A 162
VAL A  95
THR A 158
 None
 1.21A 3cyxB-1xfgA:
undetectable		 3cyxB-1xfgA:
17.62
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 LEU A  32
ASP A 318
VAL A  43
THR A  24
 None
 1.31A 3cyxB-2b5mA:
undetectable		 3cyxB-2b5mA:
6.88
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.
2cxe RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Pyrococcus
horikoshii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 LEU A 351
ASP A 391
VAL A 375
THR A 157
 None
 1.20A 3cyxB-2cxeA:
undetectable		 3cyxB-2cxeA:
14.39
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.
2gm3 UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF00582
(Usp) 		4 LEU A  50
ASP A 126
VAL A 129
THR A  34
 None
 1.30A 3cyxB-2gm3A:
undetectable		 3cyxB-2gm3A:
21.14
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.
2gnp TRANSCRIPTIONAL
REGULATOR

(Streptococcus
pneumoniae) 		PF04198
(Sugar-bind) 		4 LEU A 293
ASP A 317
VAL A 286
THR A 307
 None
 1.22A 3cyxB-2gnpA:
undetectable		 3cyxB-2gnpA:
18.32
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.
2gwr DNA-BINDING RESPONSE
REGULATOR MTRA

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 LEU A  54
ASP A  13
VAL A  34
THR A  22
 None
CA  A2644 (-3.2A)
None
None
 1.17A 3cyxB-2gwrA:
undetectable		 3cyxB-2gwrA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htm THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF05690
(ThiG) 		4 LEU A  97
ASP A 134
VAL A 149
THR A 146
 None
 0.98A 3cyxB-2htmA:
undetectable		 3cyxB-2htmA:
15.71
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.
2hvq HYPOTHETICAL 37.6
KDA PROTEIN IN
GP24-HOC INTERGENIC
REGION

(Escherichia
virus T4) 		PF09414
(RNA_ligase) 		4 LEU A 264
ASP A 180
VAL A 270
THR A 289
 None
 1.26A 3cyxB-2hvqA:
undetectable		 3cyxB-2hvqA:
17.31
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.
2j6h GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF01380
(SIS)
PF13522
(GATase_6) 		4 LEU A 130
ASP A 162
VAL A  95
THR A 158
 None
 1.28A 3cyxB-2j6hA:
undetectable		 3cyxB-2j6hA:
10.81
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.
2mma MONOTHIOL
GLUTAREDOXIN-S14,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00462
(Glutaredoxin) 		4 LEU A 110
ASP A 116
VAL A 103
THR A 154
 None
 1.24A 3cyxB-2mmaA:
undetectable		 3cyxB-2mmaA:
25.23
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 LEU A 301
ASP A  89
VAL A  52
THR A 298
 None
None
EOH  A 502 (-4.7A)
None
 1.29A 3cyxB-2nxfA:
undetectable		 3cyxB-2nxfA:
15.19
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.
2o1s 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		4 LEU A 437
ASP A 539
VAL A 569
THR A 555
 None
 1.27A 3cyxB-2o1sA:
undetectable		 3cyxB-2o1sA:
10.87
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		4 LEU A 440
ASP A 542
VAL A 572
THR A 558
 None
 1.16A 3cyxB-2o1xA:
undetectable		 3cyxB-2o1xA:
10.34
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.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 LEU A 316
ASP A 342
VAL A 309
THR A 293
 None
 1.22A 3cyxB-2p3eA:
undetectable		 3cyxB-2p3eA:
11.90
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.
2pz0 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Caldanaerobacter
subterraneus) 		PF03009
(GDPD) 		4 LEU A  84
ASP A  46
VAL A  56
THR A  50
 None
CA  A 501 (-2.8A)
None
None
 1.29A 3cyxB-2pz0A:
undetectable		 3cyxB-2pz0A:
20.24
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.
2qiw PEP PHOSPHONOMUTASE

(Corynebacterium
glutamicum) 		PF13714
(PEP_mutase) 		4 LEU A 102
ASP A  85
VAL A  71
THR A  75
 None
 1.31A 3cyxB-2qiwA:
undetectable		 3cyxB-2qiwA:
16.21
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.
2x60 MANNOSE-1-PHOSPHATE
GUANYLYLTRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		4 LEU A 135
ASP A 100
VAL A 103
THR A  94
 None
 1.20A 3cyxB-2x60A:
undetectable		 3cyxB-2x60A:
15.77
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 LEU A 216
ASP A 234
VAL A 221
THR A 267
 None
 1.27A 3cyxB-2xfgA:
undetectable		 3cyxB-2xfgA:
12.57
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.
2xqy ENVELOPE
GLYCOPROTEIN H

(Suid
alphaherpesvirus
1) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		4 LEU A 383
ASP A 373
VAL A 359
THR A 396
 None
 1.30A 3cyxB-2xqyA:
undetectable		 3cyxB-2xqyA:
9.02
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.
2z99 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF04079
(SMC_ScpB) 		4 LEU A  63
ASP A  26
VAL A  31
THR A  52
 None
 1.28A 3cyxB-2z99A:
undetectable		 3cyxB-2z99A:
19.16
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.
2zau SELENIDE, WATER
DIKINASE

(Aquifex
aeolicus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 LEU A 177
ASP A  68
VAL A  65
THR A 294
 None
 1.00A 3cyxB-2zauA:
undetectable		 3cyxB-2zauA:
19.84
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.
3a5v ALPHA-GALACTOSIDASE

(Umbelopsis
vinacea) 		PF16499
(Melibiase_2) 		4 LEU A 388
ASP A 296
VAL A 290
THR A 259
 None
1PG  A 851 (-4.3A)
None
None
 1.32A 3cyxB-3a5vA:
undetectable		 3cyxB-3a5vA:
14.52
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.
3asu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Escherichia
coli) 		PF00106
(adh_short) 		4 LEU A  37
ASP A  46
VAL A  27
THR A  17
 None
 1.15A 3cyxB-3asuA:
undetectable		 3cyxB-3asuA:
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.
3d4o DIPICOLINATE
SYNTHASE SUBUNIT A

(Bacillus
halodurans) 		PF01262
(AlaDh_PNT_C)
PF16924
(DpaA_N) 		4 LEU A 162
ASP A 126
VAL A 165
THR A 219
 None
None
TAR  A 295 ( 3.8A)
None
 1.26A 3cyxB-3d4oA:
undetectable		 3cyxB-3d4oA:
16.95
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		4 LEU A 272
ASP A 268
VAL A 258
THR A 211
 None
 1.26A 3cyxB-3eshA:
undetectable		 3cyxB-3eshA:
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 308
ASP A 297
VAL A 321
THR A 340
 None
 1.24A 3cyxB-3fxgA:
undetectable		 3cyxB-3fxgA:
11.86
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.
3gfm 146AA LONG
HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR

(Sulfurisphaera
tokodaii) 		PF13463
(HTH_27) 		4 LEU A  93
ASP A  72
VAL A  80
THR A  46
 None
 1.26A 3cyxB-3gfmA:
undetectable		 3cyxB-3gfmA:
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.
3igf ALL4481 PROTEIN

(Nostoc sp. PCC
7120) 		PF02374
(ArsA_ATPase) 		4 LEU A 226
ASP A 135
VAL A 231
THR A 221
 None
 1.14A 3cyxB-3igfA:
undetectable		 3cyxB-3igfA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 LEU A 370
ASP A 191
VAL A 160
THR A 394
 None
MG  A 500 ( 3.0A)
None
None
 1.22A 3cyxB-3kdnA:
undetectable		 3cyxB-3kdnA:
13.85
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.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 118
ASP A  80
VAL A  54
THR A  65
 None
 0.81A 3cyxB-3lgxA:
undetectable		 3cyxB-3lgxA:
12.20
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 LEU A 434
ASP A 541
VAL A 572
THR A 558
 None
 1.15A 3cyxB-3mosA:
undetectable		 3cyxB-3mosA:
12.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ASP A  29
VAL A  32
THR A  80
 None
 0.44A 3cyxB-3mwsA:
19.7		 3cyxB-3mwsA:
78.79
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.
3on6 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		4 LEU A 343
ASP A 346
VAL A 375
THR A 371
 None
 1.20A 3cyxB-3on6A:
undetectable		 3cyxB-3on6A:
13.82
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		4 LEU A 349
ASP A 352
VAL A 381
THR A 377
 None
 1.19A 3cyxB-3p2cA:
undetectable		 3cyxB-3p2cA:
12.58
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.
3pvd CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 LEU A 449
ASP A 269
VAL A 455
THR A 276
 None
 1.21A 3cyxB-3pvdA:
undetectable		 3cyxB-3pvdA:
18.77
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.
3pw3 AMINOPEPTIDASE C

(Parabacteroides
distasonis) 		PF03051
(Peptidase_C1_2) 		4 LEU A 186
ASP A  91
VAL A 178
THR A 149
 None
 1.26A 3cyxB-3pw3A:
undetectable		 3cyxB-3pw3A:
12.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ASP A  29
VAL A  32
THR A  80
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
None
None
 0.47A 3cyxB-3t3cA:
18.4		 3cyxB-3t3cA:
73.74
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.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 LEU A 172
ASP A 238
VAL A 243
THR A 119
 None
 1.25A 3cyxB-3tktA:
undetectable		 3cyxB-3tktA:
14.44
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 162
ASP A 358
VAL A 110
THR A 114
 None
 1.30A 3cyxB-3tx8A:
undetectable		 3cyxB-3tx8A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		4 LEU A  11
ASP A  15
VAL A  21
THR A 305
 None
 1.09A 3cyxB-3ty4A:
undetectable		 3cyxB-3ty4A:
11.40
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 LEU A 313
ASP A 341
VAL A 306
THR A 290
 None
EDO  A 424 (-3.8A)
None
None
 1.10A 3cyxB-3vabA:
undetectable		 3cyxB-3vabA:
13.27
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.
4bax GLUTAMINE SYNTHETASE

(Streptomyces
coelicolor) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 LEU A 196
ASP A 337
VAL A 330
THR A  98
 None
 1.30A 3cyxB-4baxA:
undetectable		 3cyxB-4baxA:
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.
4fh8 ACEPRX-1

(Ancylostoma
ceylanicum) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 LEU A  66
ASP A 131
VAL A  37
THR A 153
 None
 1.19A 3cyxB-4fh8A:
undetectable		 3cyxB-4fh8A:
16.10
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.
4gys ALLOPHANATE
HYDROLASE

(Granulibacter
bethesdensis) 		PF01425
(Amidase) 		4 LEU A 192
ASP A  98
VAL A 197
THR A 167
 None
 1.27A 3cyxB-4gysA:
undetectable		 3cyxB-4gysA:
11.75
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.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 LEU A  34
ASP A  52
VAL A  93
THR A  97
 None
 1.22A 3cyxB-4haqA:
undetectable		 3cyxB-4haqA:
12.35
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.
4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		4 LEU A 183
ASP A 159
VAL A 162
THR A 167
 None
 1.31A 3cyxB-4jb3A:
undetectable		 3cyxB-4jb3A:
20.35
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.
4kw6 PEROXIREDOXIN-1

(Ancylostoma
ceylanicum) 		PF00578
(AhpC-TSA) 		4 LEU A  66
ASP A 131
VAL A  37
THR A 153
 None
 1.20A 3cyxB-4kw6A:
undetectable		 3cyxB-4kw6A:
19.21
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.
4n01 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		4 LEU A  97
ASP A  81
VAL A 104
THR A  86
 None
 1.22A 3cyxB-4n01A:
undetectable		 3cyxB-4n01A:
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.
4nbq POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Coxiella
burnetii) 		PF00013
(KH_1)
PF00575
(S1)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 LEU A 371
ASP A 167
VAL A 123
THR A  37
 None
 1.30A 3cyxB-4nbqA:
undetectable		 3cyxB-4nbqA:
9.37
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.
4nbv 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE PUTATIVE
SHORT-CHAIN
DEHYDROGENASES/REDUC
TASES (SDR) FAMILY
PROTEIN

(Cupriavidus
taiwanensis) 		PF13561
(adh_short_C2) 		4 LEU A  34
ASP A  84
VAL A  87
THR A  21
 None
 1.24A 3cyxB-4nbvA:
undetectable		 3cyxB-4nbvA:
15.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ASP A  29
VAL A  32
THR A  80
 None
RIT  A 500 (-3.2A)
None
None
 0.56A 3cyxB-4njvA:
20.2		 3cyxB-4njvA:
83.84
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.
4nnp LIPOPROTEIN

(Staphylococcus
aureus) 		PF01297
(ZnuA) 		4 LEU A  42
ASP A  55
VAL A  84
THR A 158
 None
 1.31A 3cyxB-4nnpA:
undetectable		 3cyxB-4nnpA:
16.25
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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		4 LEU A  35
ASP A 197
VAL A  28
THR A 182
 None
 1.26A 3cyxB-4ohtA:
undetectable		 3cyxB-4ohtA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oj2 AQUAPORIN-2

(Homo sapiens) 		PF00230
(MIP) 		4 LEU X 189
ASP X 200
VAL X 118
THR X 195
 None
 1.12A 3cyxB-4oj2X:
undetectable		 3cyxB-4oj2X:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfs COBYRINIC ACID
A,C-DIAMIDE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF13614
(AAA_31) 		4 LEU A  44
ASP A 150
VAL A  15
THR A  27
 None
 1.32A 3cyxB-4pfsA:
undetectable		 3cyxB-4pfsA:
19.00
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 LEU A 242
ASP A 308
VAL A 383
THR A 385
 None
 1.24A 3cyxB-4qljA:
undetectable		 3cyxB-4qljA:
13.23
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		4 LEU A 335
ASP A 375
VAL A 368
THR A 358
 None
 1.26A 3cyxB-4r10A:
undetectable		 3cyxB-4r10A:
10.84
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.
4rlz CAPSID PROTEIN

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		4 LEU A 449
ASP A 267
VAL A 455
THR A 274
 None
 1.17A 3cyxB-4rlzA:
undetectable		 3cyxB-4rlzA:
15.74
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.
4rpd CAPSID PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 LEU A 447
ASP A 269
VAL A 453
THR A 276
 None
 1.20A 3cyxB-4rpdA:
undetectable		 3cyxB-4rpdA:
15.12
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.
4xg1 DIAMINOPIMELATE
DECARBOXYLASE

(Psychromonas
ingrahamii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 LEU A 311
ASP A 342
VAL A 304
THR A 288
 None
 1.07A 3cyxB-4xg1A:
undetectable		 3cyxB-4xg1A:
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.
4xhm THIOREDOXIN (TRX-3)

(Archaeoglobus
fulgidus) 		PF00085
(Thioredoxin) 		4 LEU A  29
ASP A  53
VAL A  50
THR A  43
 None
 1.15A 3cyxB-4xhmA:
undetectable		 3cyxB-4xhmA:
23.08
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.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		4 LEU B 381
ASP B 339
VAL B 345
THR B 313
 None
 0.97A 3cyxB-4ydoB:
undetectable		 3cyxB-4ydoB:
9.85
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.
4ywc TRANSCRIPTION FACTOR
MYC3

(Arabidopsis
thaliana) 		PF14215
(bHLH-MYC_N) 		4 LEU A  90
ASP A  94
VAL A 213
THR A 208
 None
 1.31A 3cyxB-4ywcA:
undetectable		 3cyxB-4ywcA:
17.73
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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 LEU A  37
ASP A  98
VAL A 101
THR A  21
 None
 0.95A 3cyxB-4zqgA:
undetectable		 3cyxB-4zqgA:
14.39
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		4 LEU A 144
ASP A  14
VAL A 298
THR A 147
 None
None
None
TLA  A1319 ( 4.7A)
 1.29A 3cyxB-5ahoA:
undetectable		 3cyxB-5ahoA:
13.89
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.
5aid MEP2

(Candida
albicans) 		PF00909
(Ammonium_transp) 		4 LEU A 355
ASP A 359
VAL A 304
THR A 308
 None
 1.27A 3cyxB-5aidA:
undetectable		 3cyxB-5aidA:
16.24
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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		4 LEU A2379
ASP A2376
VAL A2373
THR A2450
 None
 1.27A 3cyxB-5b4xA:
undetectable		 3cyxB-5b4xA:
9.37
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		no annotation 4 LEU A 243
ASP A 231
VAL A 270
THR A 274
 None
 0.92A 3cyxB-5gztA:
undetectable		 3cyxB-5gztA:
21.77
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.
5hu6 HAPTOGLOBIN-HEMOGLOB
IN RECEPTOR

(Trypanosoma
brucei) 		no annotation 4 LEU D 157
ASP D 147
VAL D 247
THR D  69
 None
 1.26A 3cyxB-5hu6D:
undetectable		 3cyxB-5hu6D:
17.93
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 LEU B1030
ASP B 760
VAL B1023
THR A 669
 None
 0.96A 3cyxB-5ip9B:
undetectable		 3cyxB-5ip9B:
6.21
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		4 LEU A  47
ASP A  51
VAL A  57
THR A 338
 None
 1.14A 3cyxB-5j32A:
undetectable		 3cyxB-5j32A:
16.38
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.
5k9z PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		4 LEU A  44
ASP A  90
VAL A  93
THR A  31
 None
 1.25A 3cyxB-5k9zA:
undetectable		 3cyxB-5k9zA:
19.12
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.
5kl0 PHOSPHOGLUCOMUTASE

(Xanthomonas
citri) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 LEU A 435
ASP A 427
VAL A 448
THR A 461
 None
 1.32A 3cyxB-5kl0A:
undetectable		 3cyxB-5kl0A:
13.27
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.
5lxv CARBOHYDRATE-BINDING
PROTEIN WP_009985128
SCAFFOLDIN C

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		4 LEU B 904
ASP B 933
VAL B 911
THR A  69
 None
 1.15A 3cyxB-5lxvB:
undetectable		 3cyxB-5lxvB:
18.45
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.
5omm CAPSID PROTEIN

(Norwalk virus) 		PF08435
(Calici_coat_C) 		4 LEU A 460
ASP A 269
VAL A 466
THR A 276
 None
 1.23A 3cyxB-5ommA:
undetectable		 3cyxB-5ommA:
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.
5sv9 BOR1P BORON
TRANSPORTER

(Saccharomyces
mikatae) 		PF00955
(HCO3_cotransp) 		4 LEU A 412
ASP A 197
VAL A 204
THR A 248
 None
 1.14A 3cyxB-5sv9A:
undetectable		 3cyxB-5sv9A:
13.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 LEU A  23
ASP A  29
VAL A  32
THR A  80
 None
 0.39A 3cyxB-5t2zA:
20.3		 3cyxB-5t2zA:
79.80
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.
5w7m GLANDICOLINE B
O-METHYLTRANSFERASE
ROQN

(Penicillium
rubens) 		no annotation 4 LEU A  64
ASP A  82
VAL A  59
THR A  31
 None
SAH  A 301 (-2.9A)
SAH  A 301 (-4.5A)
None
 1.29A 3cyxB-5w7mA:
undetectable		 3cyxB-5w7mA:
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.
5ysx -

(-) 		no annotation 4 LEU A 233
ASP A  48
VAL A 239
THR A  55
 None
 1.24A 3cyxB-5ysxA:
undetectable		 3cyxB-5ysxA:
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.
5zzk MONOFUNCTIONAL
GLYCOSYLTRANSFERASE

(Staphylococcus
aureus) 		no annotation 4 LEU A 157
ASP A  68
VAL A 163
THR A 135
 None
 1.10A 3cyxB-5zzkA:
undetectable		 3cyxB-5zzkA:
17.65
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.
6daw NON-HEME IRON
HYDROXYLASE

(Streptomyces
lusitanus) 		no annotation 4 LEU A 162
ASP A  73
VAL A  95
THR A  19
 None
 1.24A 3cyxB-6dawA:
undetectable		 3cyxB-6dawA:
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.
6ek9 -

(-) 		no annotation 4 LEU A 131
ASP A  82
VAL A  89
THR A  71
 None
None
None
CU1  A 214 (-3.6A)
 1.13A 3cyxB-6ek9A:
undetectable		 3cyxB-6ek9A:
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU A 927
ASP A 878
VAL A 508
THR A 552
 None
 1.25A 3cyxB-6eojA:
undetectable		 3cyxB-6eojA:
6.67