SIMILAR PATTERNS OF AMINO ACIDS FOR 3CYX_A_ROCA201_3

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.
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