SIMILAR PATTERNS OF AMINO ACIDS FOR 3CYX_A_ROCA201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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