SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZZB_C_ACTC401

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.
1f3j H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN

(Mus musculus) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		5 ILE A 112
PHE A 137
VAL A 109
ILE A 119
GLU A 134
 None
 1.48A 4zzbC-1f3jA:
4.0
4zzbD-1f3jA:
3.3		 4zzbC-1f3jA:
18.87
4zzbD-1f3jA:
18.87
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.
1h54 MALTOSE
PHOSPHORYLASE

(Lactobacillus
brevis) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ILE A 426
PHE A 463
ARG A 467
VAL A 482
ILE A 479
 None
 1.50A 4zzbC-1h54A:
2.3
4zzbD-1h54A:
2.3		 4zzbC-1h54A:
18.47
4zzbD-1h54A:
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.
1hyn BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF07565
(Band_3_cyto) 		4 ILE P 220
ARG P  80
VAL P  82
ILE P 216
 None
 0.99A 4zzbC-1hynP:
0.0
4zzbD-1hynP:
0.0		 4zzbC-1hynP:
21.77
4zzbD-1hynP:
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.
1i6a HYDROGEN
PEROXIDE-INDUCIBLE
GENES ACTIVATOR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		4 ILE A 268
ARG A 266
VAL A 101
ILE A  98
 None
 1.00A 4zzbC-1i6aA:
undetectable
4zzbD-1i6aA:
undetectable		 4zzbC-1i6aA:
23.03
4zzbD-1i6aA:
23.03
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.
1jax CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03807
(F420_oxidored) 		4 ILE A 135
PHE A 140
VAL A 151
ILE A 168
 None
 0.92A 4zzbC-1jaxA:
0.0
4zzbD-1jaxA:
0.0		 4zzbC-1jaxA:
20.81
4zzbD-1jaxA:
20.81
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.
1jjf ENDO-1,4-BETA-XYLANA
SE Z

(Ruminiclostridium
thermocellum) 		PF00756
(Esterase) 		4 ILE A 195
PHE A 223
VAL A 264
ILE A 255
 None
 0.98A 4zzbC-1jjfA:
0.0
4zzbD-1jjfA:
0.0		 4zzbC-1jjfA:
25.66
4zzbD-1jjfA:
25.66
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.
1lla HEMOCYANIN (SUBUNIT
TYPE II)

(Limulus
polyphemus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ILE A 367
PHE A 366
VAL A 308
ILE A 276
 None
 0.76A 4zzbC-1llaA:
1.7
4zzbD-1llaA:
1.6		 4zzbC-1llaA:
19.55
4zzbD-1llaA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ni3 YCHF GTP-BINDING
PROTEIN

(Schizosaccharomyces
pombe) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		4 ILE A  40
PHE A  36
VAL A  63
ILE A 298
 None
 0.96A 4zzbC-1ni3A:
2.1
4zzbD-1ni3A:
2.2		 4zzbC-1ni3A:
21.90
4zzbD-1ni3A:
21.90
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.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		4 ILE A 108
PHE A 112
ILE A 168
GLU A 172
 None
 0.96A 4zzbC-1or4A:
3.6
4zzbD-1or4A:
3.7		 4zzbC-1or4A:
19.87
4zzbD-1or4A:
19.87
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.
1q44 STEROID
SULFOTRANSFERASE

(Arabidopsis
thaliana) 		PF00685
(Sulfotransfer_1) 		4 ILE A 259
VAL A 256
ILE A 251
GLU A 247
 None
 0.99A 4zzbC-1q44A:
0.0
4zzbD-1q44A:
0.0		 4zzbC-1q44A:
23.24
4zzbD-1q44A:
23.24
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.
1q56 AGRIN

(Gallus gallus) 		PF00054
(Laminin_G_1) 		4 ILE A  56
PHE A 163
VAL A  78
ILE A  97
 None
 0.83A 4zzbC-1q56A:
undetectable
4zzbD-1q56A:
undetectable		 4zzbC-1q56A:
19.63
4zzbD-1q56A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qmy PROTEASE

(Foot-and-mouth
disease virus) 		PF05408
(Peptidase_C28) 		4 ILE A  56
PHE A  60
VAL A 103
ILE A 107
 None
 0.96A 4zzbC-1qmyA:
undetectable
4zzbD-1qmyA:
undetectable		 4zzbC-1qmyA:
19.08
4zzbD-1qmyA:
19.08
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.
1qrh ECO RI ENDONCULEASE

(Escherichia
coli) 		PF02963
(EcoRI) 		5 ILE A 153
PHE A 156
VAL A 109
ILE A  94
GLU A  96
 None
 1.44A 4zzbC-1qrhA:
undetectable
4zzbD-1qrhA:
undetectable		 4zzbC-1qrhA:
24.48
4zzbD-1qrhA:
24.48
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		4 ILE A 191
PHE A 157
VAL A 173
ILE A 122
 None
 0.98A 4zzbC-1t3iA:
undetectable
4zzbD-1t3iA:
undetectable		 4zzbC-1t3iA:
22.65
4zzbD-1t3iA:
22.65
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.
1ueq MEMBRANE ASSOCIATED
GUANYLATE KINASE
INVERTED-2 (MAGI-2)

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  36
PHE A  34
VAL A  85
ILE A  72
 None
 0.73A 4zzbC-1ueqA:
undetectable
4zzbD-1ueqA:
undetectable		 4zzbC-1ueqA:
16.77
4zzbD-1ueqA:
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.
1ujv MEMBRANE ASSOCIATED
GUANYLATE KINASE
INVERTED-2 (MAGI-2)

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  27
PHE A  25
VAL A  70
ILE A  57
 None
 0.92A 4zzbC-1ujvA:
undetectable
4zzbD-1ujvA:
undetectable		 4zzbC-1ujvA:
14.87
4zzbD-1ujvA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		4 ILE A 322
PHE A 315
VAL A 258
ILE A 230
 None
 0.83A 4zzbC-1ur1A:
undetectable
4zzbD-1ur1A:
undetectable		 4zzbC-1ur1A:
21.32
4zzbD-1ur1A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v32 HYPOTHETICAL PROTEIN
RAFL09-47-K03

(Arabidopsis
thaliana) 		PF02201
(SWIB) 		4 ILE A  77
PHE A  72
VAL A  62
ILE A  48
 None
 0.93A 4zzbC-1v32A:
undetectable
4zzbD-1v32A:
undetectable		 4zzbC-1v32A:
14.83
4zzbD-1v32A:
14.83
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.
1w74 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A

(Mycobacterium
tuberculosis) 		PF00160
(Pro_isomerase) 		4 ILE A  80
PHE A  71
VAL A 156
ILE A  26
 None
 0.97A 4zzbC-1w74A:
undetectable
4zzbD-1w74A:
undetectable		 4zzbC-1w74A:
20.51
4zzbD-1w74A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		4 ILE A 541
ARG A 544
VAL A 561
ILE A 558
 None
 1.00A 4zzbC-1xjeA:
undetectable
4zzbD-1xjeA:
undetectable		 4zzbC-1xjeA:
18.73
4zzbD-1xjeA:
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.
1xjv PROTECTION OF
TELOMERES 1

(Homo sapiens) 		PF02765
(POT1)
PF16686
(POT1PC) 		4 ILE A  49
PHE A  81
VAL A  29
ILE A  72
 None
 0.99A 4zzbC-1xjvA:
undetectable
4zzbD-1xjvA:
undetectable		 4zzbC-1xjvA:
21.07
4zzbD-1xjvA:
21.07
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		4 ILE B 318
PHE B 333
VAL B 348
ILE B  20
 None
FAD  B 800 ( 4.9A)
None
None
 0.85A 4zzbC-1y56B:
undetectable
4zzbD-1y56B:
undetectable		 4zzbC-1y56B:
20.15
4zzbD-1y56B:
20.15
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.
2a2n PEPTIDYLPROLYL
ISOMERASE DOMAIN AND
WD REPEAT CONTAINING
1

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 ILE A 542
PHE A 533
VAL A 619
ILE A 503
 None
 0.85A 4zzbC-2a2nA:
undetectable
4zzbD-2a2nA:
undetectable		 4zzbC-2a2nA:
19.62
4zzbD-2a2nA:
19.62
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 ILE A  43
PHE A  11
VAL A  38
ILE A   2
 None
 0.95A 4zzbC-2awaA:
undetectable
4zzbD-2awaA:
undetectable		 4zzbC-2awaA:
21.38
4zzbD-2awaA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ay9 AROMATIC AMINO ACID
AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00155
(Aminotran_1_2) 		4 ILE A  49
VAL A  53
ILE A 305
GLU A 265
 None
 0.89A 4zzbC-2ay9A:
undetectable
4zzbD-2ay9A:
undetectable		 4zzbC-2ay9A:
22.63
4zzbD-2ay9A:
22.63
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.
2b5o FERREDOXIN--NADP
REDUCTASE

(Synechococcus
sp. PCC 7002) 		PF00175
(NAD_binding_1) 		4 ILE A 369
PHE A 373
VAL A 335
ILE A 289
 None
 0.96A 4zzbC-2b5oA:
undetectable
4zzbD-2b5oA:
undetectable		 4zzbC-2b5oA:
23.33
4zzbD-2b5oA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A  76
PHE A  61
VAL A 101
ILE A 116
 None
 0.99A 4zzbC-2bwgA:
undetectable
4zzbD-2bwgA:
undetectable		 4zzbC-2bwgA:
19.17
4zzbD-2bwgA:
19.17
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.
2c3b PPIASE

(Aspergillus
fumigatus) 		PF00160
(Pro_isomerase) 		4 ILE A  65
PHE A  56
VAL A 144
ILE A  23
 None
 0.94A 4zzbC-2c3bA:
undetectable
4zzbD-2c3bA:
undetectable		 4zzbC-2c3bA:
20.00
4zzbD-2c3bA:
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.
2dlu INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  32
PHE A  30
VAL A  79
ILE A  66
 None
 0.83A 4zzbC-2dluA:
undetectable
4zzbD-2dluA:
undetectable		 4zzbC-2dluA:
16.77
4zzbD-2dluA:
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.
2fmd LECTIN

(Leucomphalos
mildbraedii) 		PF00139
(Lectin_legB) 		4 ILE A  57
PHE A 230
VAL A 208
ILE A  92
 None
 1.01A 4zzbC-2fmdA:
undetectable
4zzbD-2fmdA:
undetectable		 4zzbC-2fmdA:
22.56
4zzbD-2fmdA:
22.56
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.
2fvu REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae) 		PF01426
(BAH) 		4 ILE A  71
PHE A  50
VAL A  87
ILE A 141
 None
 0.79A 4zzbC-2fvuA:
undetectable
4zzbD-2fvuA:
undetectable		 4zzbC-2fvuA:
22.87
4zzbD-2fvuA:
22.87
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ILE A 140
PHE A 118
VAL A  52
ILE A  45
 None
 0.95A 4zzbC-2g3nA:
undetectable
4zzbD-2g3nA:
undetectable		 4zzbC-2g3nA:
18.94
4zzbD-2g3nA:
18.94
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.
2hqj PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Leishmania
major) 		PF00160
(Pro_isomerase) 		4 ILE A  69
PHE A  60
VAL A 149
ILE A  20
 None
 1.01A 4zzbC-2hqjA:
undetectable
4zzbD-2hqjA:
undetectable		 4zzbC-2hqjA:
20.06
4zzbD-2hqjA:
20.06
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.
2igw PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
3

(Caenorhabditis
elegans) 		PF00160
(Pro_isomerase) 		4 ILE A  69
PHE A  60
VAL A 146
ILE A  20
 None
 0.93A 4zzbC-2igwA:
undetectable
4zzbD-2igwA:
undetectable		 4zzbC-2igwA:
18.79
4zzbD-2igwA:
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.
2lll LAMIN-B2

(Homo sapiens) 		PF00932
(LTD) 		4 ILE A 459
ARG A 485
VAL A 466
ILE A 483
 None
 0.97A 4zzbC-2lllA:
undetectable
4zzbD-2lllA:
undetectable		 4zzbC-2lllA:
16.72
4zzbD-2lllA:
16.72
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.
2mcf TGAM_1934

(Thermococcus
gammatolerans) 		no annotation 4 ILE A  48
PHE A  52
VAL A  44
ILE A 110
 None
 0.94A 4zzbC-2mcfA:
undetectable
4zzbD-2mcfA:
undetectable		 4zzbC-2mcfA:
18.35
4zzbD-2mcfA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 ILE A 221
PHE A 751
VAL A 227
ILE A 244
 None
 0.81A 4zzbC-2pi5A:
undetectable
4zzbD-2pi5A:
undetectable		 4zzbC-2pi5A:
16.88
4zzbD-2pi5A:
16.88
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		4 ILE A 158
VAL A 211
ILE A 128
GLU A 131
 None
 0.90A 4zzbC-2q7vA:
undetectable
4zzbD-2q7vA:
undetectable		 4zzbC-2q7vA:
21.59
4zzbD-2q7vA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w7r MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 4

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  18
PHE A  16
VAL A  73
ILE A  60
 None
 0.83A 4zzbC-2w7rA:
undetectable
4zzbD-2w7rA:
undetectable		 4zzbC-2w7rA:
15.87
4zzbD-2w7rA:
15.87
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.
2wnx GLYCOSIDE HYDROLASE,
FAMILY 9

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		4 ILE A  96
PHE A 116
VAL A  50
ILE A 146
 None
 0.87A 4zzbC-2wnxA:
2.2
4zzbD-2wnxA:
2.2		 4zzbC-2wnxA:
16.98
4zzbD-2wnxA:
16.98
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.
2z17 PLECKSTRIN HOMOLOGY
SEC7 AND COILED-COIL
DOMAINS-BINDING
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  33
PHE A  31
VAL A  88
ILE A  75
 None
 0.92A 4zzbC-2z17A:
undetectable
4zzbD-2z17A:
undetectable		 4zzbC-2z17A:
13.87
4zzbD-2z17A:
13.87
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.
2zgk ANTI-TUMOR LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		4 ILE A  60
PHE A  71
VAL A 102
ILE A 115
 None
 0.80A 4zzbC-2zgkA:
undetectable
4zzbD-2zgkA:
undetectable		 4zzbC-2zgkA:
20.13
4zzbD-2zgkA:
20.13
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.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		5 ILE X 104
ARG X  78
VAL X  79
ILE X  75
GLU X  56
 None
 1.34A 4zzbC-2zyvX:
undetectable
4zzbD-2zyvX:
undetectable		 4zzbC-2zyvX:
21.55
4zzbD-2zyvX:
21.55
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.
3cxg PUTATIVE THIOREDOXIN

(Plasmodium
falciparum) 		PF00085
(Thioredoxin) 		4 ILE A  76
VAL A  74
ILE A  23
GLU A  12
 None
 0.91A 4zzbC-3cxgA:
undetectable
4zzbD-3cxgA:
undetectable		 4zzbC-3cxgA:
16.77
4zzbD-3cxgA:
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.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		4 ILE A 325
PHE A 311
VAL A 324
ILE A 293
 None
 0.98A 4zzbC-3e53A:
undetectable
4zzbD-3e53A:
undetectable		 4zzbC-3e53A:
22.29
4zzbD-3e53A:
22.29
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.
3f65 CHAPERONE PROTEIN
FAEE

(Escherichia
coli) 		PF00345
(PapD_N) 		4 ILE A 149
PHE A 173
VAL A 188
ILE A 202
 None
 0.90A 4zzbC-3f65A:
undetectable
4zzbD-3f65A:
undetectable		 4zzbC-3f65A:
22.61
4zzbD-3f65A:
22.61
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 4 ILE S 436
ARG S 519
VAL S 500
ILE S 455
 None
 1.00A 4zzbC-3g9kS:
undetectable
4zzbD-3g9kS:
undetectable		 4zzbC-3g9kS:
18.12
4zzbD-3g9kS:
18.12
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ILE A 277
ARG A 275
VAL A 236
ILE A 161
 None
 0.96A 4zzbC-3grfA:
undetectable
4zzbD-3grfA:
undetectable		 4zzbC-3grfA:
21.01
4zzbD-3grfA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4m PROTEASOME-ACTIVATIN
G NUCLEOTIDASE

(Methanocaldococcus
jannaschii) 		PF00004
(AAA) 		4 ILE A 255
PHE A 256
VAL A 235
ILE A 269
 None
 0.75A 4zzbC-3h4mA:
undetectable
4zzbD-3h4mA:
undetectable		 4zzbC-3h4mA:
22.42
4zzbD-3h4mA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj6 FRUCTOKINASE

(Halothermothrix
orenii) 		PF00294
(PfkB) 		4 ILE A 282
PHE A 281
VAL A 147
ILE A 177
 None
 0.90A 4zzbC-3hj6A:
undetectable
4zzbD-3hj6A:
undetectable		 4zzbC-3hj6A:
21.04
4zzbD-3hj6A:
21.04
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.
3meb ASPARTATE
AMINOTRANSFERASE

(Giardia
intestinalis) 		PF00155
(Aminotran_1_2) 		4 ILE A  47
VAL A  51
ILE A 311
GLU A 263
 None
 0.73A 4zzbC-3mebA:
undetectable
4zzbD-3mebA:
undetectable		 4zzbC-3mebA:
22.17
4zzbD-3mebA:
22.17
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.
3n11 CHITINASE A

(Bacillus cereus) 		PF00704
(Glyco_hydro_18) 		4 ILE A  92
PHE A  88
VAL A 102
ILE A  62
 None
 1.01A 4zzbC-3n11A:
undetectable
4zzbD-3n11A:
undetectable		 4zzbC-3n11A:
21.94
4zzbD-3n11A:
21.94
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.
3prb FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Methanocaldococcus
jannaschii) 		PF00254
(FKBP_C) 		4 ILE A 181
PHE A 216
VAL A 156
ILE A 204
 None
 0.89A 4zzbC-3prbA:
undetectable
4zzbD-3prbA:
undetectable		 4zzbC-3prbA:
20.56
4zzbD-3prbA:
20.56
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.
3uj1 THIOREDOXIN
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 ILE A 343
PHE A 402
VAL A 379
ILE A 387
 None
 0.98A 4zzbC-3uj1A:
undetectable
4zzbD-3uj1A:
undetectable		 4zzbC-3uj1A:
16.50
4zzbD-3uj1A:
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.
3wg1 GALACTOSIDE-BINDING
LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		4 ILE A  63
PHE A  74
VAL A 105
ILE A 118
 None
 0.85A 4zzbC-3wg1A:
undetectable
4zzbD-3wg1A:
undetectable		 4zzbC-3wg1A:
21.60
4zzbD-3wg1A:
21.60
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.
3zmr CELLULASE (GLYCOSYL
HYDROLASE FAMILY 5)

(Bacteroides
ovatus) 		PF00150
(Cellulase)
PF13004
(BACON) 		4 ILE A 224
PHE A 216
ILE A 250
GLU A 253
 None
 0.87A 4zzbC-3zmrA:
undetectable
4zzbD-3zmrA:
undetectable		 4zzbC-3zmrA:
22.77
4zzbD-3zmrA:
22.77
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.
4aaj N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Pyrococcus
furiosus) 		PF00697
(PRAI) 		4 ILE A  36
ARG A  34
VAL A  26
GLU A  13
 None
 0.91A 4zzbC-4aajA:
undetectable
4zzbD-4aajA:
undetectable		 4zzbC-4aajA:
21.28
4zzbD-4aajA:
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.
4af3 AURORA KINASE B

(Homo sapiens) 		PF00069
(Pkinase) 		4 ARG A 248
VAL A 196
ILE A 128
GLU A 125
 None
 1.01A 4zzbC-4af3A:
undetectable
4zzbD-4af3A:
undetectable		 4zzbC-4af3A:
20.29
4zzbD-4af3A:
20.29
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.
4ckb MRNA-CAPPING ENZYME
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL)
PF10640
(Pox_ATPase-GT) 		4 ILE A 266
PHE A 279
VAL A 312
ILE A 345
 None
 0.96A 4zzbC-4ckbA:
undetectable
4zzbD-4ckbA:
undetectable		 4zzbC-4ckbA:
17.79
4zzbD-4ckbA:
17.79
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.
4d82 AAA ATPASE, CENTRAL
DOMAIN PROTEIN

(Metallosphaera
sedula) 		PF00004
(AAA)
PF09336
(Vps4_C) 		4 ILE A 182
PHE A 183
VAL A 162
ILE A 201
 None
 0.96A 4zzbC-4d82A:
undetectable
4zzbD-4d82A:
undetectable		 4zzbC-4d82A:
21.80
4zzbD-4d82A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ea1 DEHYDROSQUALENE
SYNTHASE

(Staphylococcus
aureus) 		PF00494
(SQS_PSY) 		4 ILE A  63
PHE A  59
VAL A  43
ILE A  86
 None
 0.98A 4zzbC-4ea1A:
4.7
4zzbD-4ea1A:
4.7		 4zzbC-4ea1A:
21.70
4zzbD-4ea1A:
21.70
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.
4elx 1,4-DIHYDROXY-2-NAPH
THOYL-COA SYNTHASE

(Escherichia
coli) 		PF00378
(ECH_1) 		4 ILE A 115
PHE A 111
VAL A 122
ILE A  72
 None
 0.94A 4zzbC-4elxA:
undetectable
4zzbD-4elxA:
undetectable		 4zzbC-4elxA:
20.96
4zzbD-4elxA:
20.96
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.
4jdl ABSCISIC ACID
RECEPTOR PYL5

(Arabidopsis
thaliana) 		PF10604
(Polyketide_cyc2) 		4 ILE A 134
PHE A 136
VAL A  77
GLU A 166
 None
 1.00A 4zzbC-4jdlA:
undetectable
4zzbD-4jdlA:
undetectable		 4zzbC-4jdlA:
22.71
4zzbD-4jdlA:
22.71
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.
4jjn REGULATORY PROTEIN
SIR3

(Saccharomyces
cerevisiae) 		PF01426
(BAH) 		4 ILE K  71
PHE K  50
VAL K  87
ILE K 141
 None
 0.73A 4zzbC-4jjnK:
undetectable
4zzbD-4jjnK:
undetectable		 4zzbC-4jjnK:
21.63
4zzbD-4jjnK:
21.63
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.
4nc2 TOXIN B
B39 VHH

(Clostridioides
difficile;
Lama glama) 		PF01473
(CW_binding_1)
PF07686
(V-set) 		4 ILE B  51
ARG B  71
VAL B  33
GLU A  39
 None
 0.95A 4zzbC-4nc2B:
undetectable
4zzbD-4nc2B:
undetectable		 4zzbC-4nc2B:
16.25
4zzbD-4nc2B:
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.
4q2m MAJOR FACILITATOR
SUPERFAMILY MFS_1

(Escherichia
coli) 		no annotation 4 ILE A  50
ARG A  57
VAL A  60
ILE A  12
 None
IOD  A3013 (-4.4A)
None
None
 0.97A 4zzbC-4q2mA:
undetectable
4zzbD-4q2mA:
undetectable		 4zzbC-4q2mA:
13.09
4zzbD-4q2mA:
13.09
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.
4s3h MDB1

(Schizosaccharomyces
pombe) 		no annotation 4 ILE A  47
PHE A  38
VAL A  54
ILE A  82
 None
 0.99A 4zzbC-4s3hA:
undetectable
4zzbD-4s3hA:
undetectable		 4zzbC-4s3hA:
15.92
4zzbD-4s3hA:
15.92
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.
4wlp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5

(Homo sapiens) 		PF01088
(Peptidase_C12) 		4 ILE A 197
PHE A  43
VAL A 200
ILE A 204
 None
 0.97A 4zzbC-4wlpA:
undetectable
4zzbD-4wlpA:
undetectable		 4zzbC-4wlpA:
22.25
4zzbD-4wlpA:
22.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4x5t PROTON-GATED ION
CHANNEL,GLRA1
PROTEIN,GLRA1
PROTEIN

(Homo sapiens;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 ARG A  77
VAL A  79
ILE A 131
GLU A 181
 ACT  A 503 (-3.7A)
None
ACT  A 503 (-3.7A)
ACT  A 503 (-3.5A)
 0.57A 4zzbC-4x5tA:
35.2
4zzbD-4x5tA:
35.2		 4zzbC-4x5tA:
70.99
4zzbD-4x5tA:
70.99
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.
4xup ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF02018
(CBM_4_9) 		4 ILE A 288
PHE A 271
VAL A 234
ILE A 329
 None
 0.88A 4zzbC-4xupA:
undetectable
4zzbD-4xupA:
undetectable		 4zzbC-4xupA:
21.05
4zzbD-4xupA:
21.05
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.
4xut ENDO-1,4-BETA-XYLANA
SE C

(Paenibacillus
barcinonensis) 		PF02018
(CBM_4_9) 		4 ILE A 288
PHE A 271
VAL A 234
ILE A 329
 None
 0.91A 4zzbC-4xutA:
undetectable
4zzbD-4xutA:
undetectable		 4zzbC-4xutA:
21.29
4zzbD-4xutA:
21.29
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.
4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A

(Thermotoga
maritima) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		4 ILE B 442
VAL B  53
ILE B  55
GLU B 117
 SF4  B 502 ( 4.2A)
None
SF4  B 502 ( 4.4A)
SF4  B 502 (-2.5A)
 1.01A 4zzbC-4yryB:
undetectable
4zzbD-4yryB:
undetectable		 4zzbC-4yryB:
20.52
4zzbD-4yryB:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahv ANTH DOMAIN OF
ENDOCYTIC ADAPTOR
SLA2

(Saccharomyces
cerevisiae) 		PF07651
(ANTH) 		4 ILE F  89
VAL F 110
ILE F 106
GLU F  57
 None
 0.94A 4zzbC-5ahvF:
2.3
4zzbD-5ahvF:
2.3		 4zzbC-5ahvF:
24.26
4zzbD-5ahvF:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5an9 60S RIBOSOMAL
PROTEIN L3

(Dictyostelium
discoideum) 		PF00297
(Ribosomal_L3) 		4 ILE A  78
PHE A 329
ARG A 287
ILE A 367
 None
 0.97A 4zzbC-5an9A:
undetectable
4zzbD-5an9A:
undetectable		 4zzbC-5an9A:
21.04
4zzbD-5an9A:
21.04
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.
5c1t SMALL GTPASE EHRABX3

(Entamoeba
histolytica) 		PF00071
(Ras) 		4 ILE A 112
PHE A 113
VAL A  91
ILE A 124
 None
 0.97A 4zzbC-5c1tA:
undetectable
4zzbD-5c1tA:
undetectable		 4zzbC-5c1tA:
22.95
4zzbD-5c1tA:
22.95
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.
5c9h TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 ILE A 314
PHE A 247
VAL A 388
ILE A 384
 None
 0.97A 4zzbC-5c9hA:
undetectable
4zzbD-5c9hA:
undetectable		 4zzbC-5c9hA:
19.54
4zzbD-5c9hA:
19.54
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.
5dpd PROTEIN LYSINE
METHYLTRANSFERASE 1

(Rickettsia
prowazekii) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		4 ILE A 143
PHE A 140
VAL A 163
ILE A 133
 None
 0.94A 4zzbC-5dpdA:
2.0
4zzbD-5dpdA:
2.0		 4zzbC-5dpdA:
19.93
4zzbD-5dpdA:
19.93
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		4 ILE A 286
PHE A 279
VAL A 247
ILE A 206
 None
 0.70A 4zzbC-5ebbA:
undetectable
4zzbD-5ebbA:
undetectable		 4zzbC-5ebbA:
23.40
4zzbD-5ebbA:
23.40
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.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		4 ILE A 283
PHE A 276
VAL A 244
ILE A 203
 None
 0.71A 4zzbC-5fcaA:
undetectable
4zzbD-5fcaA:
undetectable		 4zzbC-5fcaA:
22.55
4zzbD-5fcaA:
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.
5fhh ATP-DEPENDENT DNA
HELICASE PIF1

(Homo sapiens) 		PF02689
(Herpes_Helicase)
PF05970
(PIF1) 		4 ILE A 224
PHE A 226
VAL A 218
ILE A 241
 None
 0.93A 4zzbC-5fhhA:
undetectable
4zzbD-5fhhA:
undetectable		 4zzbC-5fhhA:
19.46
4zzbD-5fhhA:
19.46
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 ILE A 506
ARG A 499
VAL A 497
GLU A 478
 ILE  A 506 ( 0.7A)
ARG  A 499 ( 0.6A)
VAL  A 497 ( 0.6A)
GLU  A 478 ( 0.6A)
 0.93A 4zzbC-5gprA:
undetectable
4zzbD-5gprA:
undetectable		 4zzbC-5gprA:
20.43
4zzbD-5gprA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT DELTA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 ILE d 360
VAL d 214
ILE d 210
GLU d 208
 None
 0.98A 4zzbC-5gw5d:
undetectable
4zzbD-5gw5d:
undetectable		 4zzbC-5gw5d:
19.96
4zzbD-5gw5d:
19.96
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		4 ILE A  71
PHE A  62
VAL A 171
ILE A  21
 None
 0.99A 4zzbC-5jheA:
4.7
4zzbD-5jheA:
4.8		 4zzbC-5jheA:
21.09
4zzbD-5jheA:
21.09
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.
5l3s SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN

(Sulfolobus
solfataricus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 ILE A 267
PHE A 287
VAL A 242
ILE A 218
 None
 0.96A 4zzbC-5l3sA:
2.5
4zzbD-5l3sA:
2.6		 4zzbC-5l3sA:
22.95
4zzbD-5l3sA:
22.95
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 4 ILE A 774
PHE A 622
VAL A 777
ILE A 640
 None
 0.90A 4zzbC-5ng6A:
undetectable
4zzbD-5ng6A:
undetectable		 4zzbC-5ng6A:
14.06
4zzbD-5ng6A:
14.06
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.
5o9e PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN
PUTATIVE U3 SMALL
NUCLEOLAR
RIBONUCLEOPROTEIN
PROTEIN

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		PF04427
(Brix)
no annotation 		4 ILE B 541
ARG A 240
ARG A 260
GLU B 535
 None
 0.89A 4zzbC-5o9eB:
undetectable
4zzbD-5o9eB:
undetectable		 4zzbC-5o9eB:
16.51
4zzbD-5o9eB:
16.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Mus musculus;
Gloeobacter
violaceus) 		no annotation 4 ARG A  76
VAL A  78
ILE A 130
GLU A 180
 ACT  A 503 (-3.6A)
ACT  A 503 ( 4.0A)
ACT  A 503 (-3.9A)
ACT  A 503 (-2.8A)
 0.39A 4zzbC-5osbA:
32.9
4zzbD-5osbA:
32.9		 4zzbC-5osbA:
70.00
4zzbD-5osbA:
70.00
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.
5um0 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Neisseria
gonorrhoeae) 		PF00300
(His_Phos_1) 		4 ILE A 166
PHE A 161
VAL A 176
ILE A  51
 None
 0.97A 4zzbC-5um0A:
undetectable
4zzbD-5um0A:
undetectable		 4zzbC-5um0A:
22.29
4zzbD-5um0A:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 4 ARG C  77
VAL C  79
ILE C 131
GLU C 181
 None
 0.55A 4zzbC-5v6nC:
34.0
4zzbD-5v6nC:
34.0		 4zzbC-5v6nC:
99.03
4zzbD-5v6nC:
99.03
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.
5vha DEAH
(ASP-GLU-ALA-HIS)
BOX POLYPEPTIDE 36

(Bos taurus) 		no annotation 4 ILE A 848
PHE A 883
VAL A 861
ILE A 871
 None
 0.93A 4zzbC-5vhaA:
undetectable
4zzbD-5vhaA:
undetectable		 4zzbC-5vhaA:
undetectable
4zzbD-5vhaA:
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.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 4 ILE A 149
PHE A 150
VAL A  59
ILE A  89
 None
 0.98A 4zzbC-5xvhA:
undetectable
4zzbD-5xvhA:
undetectable		 4zzbC-5xvhA:
undetectable
4zzbD-5xvhA:
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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 4 ILE A 260
VAL A 168
ILE A 238
GLU A 190
 None
 0.98A 4zzbC-5y2vA:
undetectable
4zzbD-5y2vA:
undetectable		 4zzbC-5y2vA:
undetectable
4zzbD-5y2vA:
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.
5y2w RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR

(Synechocystis
sp. PCC 6803) 		no annotation 4 ILE A 260
VAL A 168
ILE A 238
GLU A 190
 None
 0.96A 4zzbC-5y2wA:
undetectable
4zzbD-5y2wA:
undetectable		 4zzbC-5y2wA:
undetectable
4zzbD-5y2wA:
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.
6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2

(Candidatus
Methanoperedens
nitroreducens) 		no annotation 4 ILE A 174
VAL A 103
ILE A 100
GLU A 129
 None
 1.00A 4zzbC-6bxnA:
undetectable
4zzbD-6bxnA:
undetectable		 4zzbC-6bxnA:
undetectable
4zzbD-6bxnA:
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.
6chs NPL4

(Chaetomium
thermophilum) 		no annotation 4 ILE A 307
ARG A 282
ILE A 512
GLU A 513
 None
 0.93A 4zzbC-6chsA:
undetectable
4zzbD-6chsA:
undetectable		 4zzbC-6chsA:
undetectable
4zzbD-6chsA:
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.
6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN

(Homo sapiens) 		no annotation 4 ILE A 462
PHE A 459
VAL A 495
ILE A 510
 None
 0.96A 4zzbC-6ei1A:
undetectable
4zzbD-6ei1A:
undetectable		 4zzbC-6ei1A:
undetectable
4zzbD-6ei1A:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 4 ILE A 393
PHE A 468
ILE A 447
GLU A 441
 None
 0.92A 4zzbC-6eotA:
undetectable
4zzbD-6eotA:
undetectable		 4zzbC-6eotA:
undetectable
4zzbD-6eotA:
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 4 ILE A 369
ARG A 366
VAL A 524
ILE A 521
 None
 0.99A 4zzbC-6ercA:
undetectable
4zzbD-6ercA:
undetectable		 4zzbC-6ercA:
undetectable
4zzbD-6ercA:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC8

(Saccharomyces
cerevisiae) 		no annotation 4 ILE G 146
PHE G 140
VAL G  99
ILE G  97
 None
 0.90A 4zzbC-6f42G:
undetectable
4zzbD-6f42G:
undetectable		 4zzbC-6f42G:
undetectable
4zzbD-6f42G:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ILE A 509
PHE A 511
VAL A 592
ILE A 567
 None
 0.92A 4zzbC-6fhwA:
undetectable
4zzbD-6fhwA:
undetectable		 4zzbC-6fhwA:
undetectable
4zzbD-6fhwA:
undetectable