SIMILAR PATTERNS OF AMINO ACIDS FOR 4X1K_B_LOCB502_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.
1bk6 KARYOPHERIN ALPHA

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 LEU A 182
LEU A 197
ASN A 199
THR A 166
ALA A 152
 None
 0.96A 4x1kA-1bk6A:
undetectable
4x1kB-1bk6A:
undetectable		 4x1kA-1bk6A:
22.56
4x1kB-1bk6A:
24.55
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.
1bxn PROTEIN (RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN)
PROTEIN (RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN)

(Cupriavidus
necator) 		PF00016
(RuBisCO_large)
PF00101
(RuBisCO_small)
PF02788
(RuBisCO_large_N) 		5 VAL A 430
CYH A 454
LEU A 457
ALA A 450
THR I   7
 None
 1.16A 4x1kA-1bxnA:
undetectable
4x1kB-1bxnA:
undetectable		 4x1kA-1bxnA:
21.85
4x1kB-1bxnA:
19.38
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.
1e6v METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT

(Methanopyrus
kandleri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 VAL B 274
LEU B 237
LEU B 302
ALA B 305
THR B 343
 None
 1.07A 4x1kA-1e6vB:
undetectable
4x1kB-1e6vB:
undetectable		 4x1kA-1e6vB:
22.69
4x1kB-1e6vB:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 CYH A 564
ALA A 562
LEU A 538
ASN A 537
ALA A 601
 None
 1.22A 4x1kA-1g8kA:
undetectable
4x1kB-1g8kA:
undetectable		 4x1kA-1g8kA:
20.26
4x1kB-1g8kA:
20.02
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.
1gvf TAGATOSE-BISPHOSPHAT
E ALDOLASE AGAY

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		5 VAL A 229
LEU A 154
LEU A 138
ALA A 175
ALA A 179
 None
 1.26A 4x1kA-1gvfA:
undetectable
4x1kB-1gvfA:
undetectable		 4x1kA-1gvfA:
23.06
4x1kB-1gvfA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o0w RIBONUCLEASE III

(Thermotoga
maritima) 		PF00035
(dsrm)
PF14622
(Ribonucleas_3_3) 		5 LEU A 132
LEU A  53
ALA A 135
LEU A  26
ASN A  22
 None
 1.26A 4x1kA-1o0wA:
undetectable
4x1kB-1o0wA:
undetectable		 4x1kA-1o0wA:
18.82
4x1kB-1o0wA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ojl TRANSCRIPTIONAL
REGULATORY PROTEIN
ZRAR

(Salmonella
enterica) 		PF00158
(Sigma54_activat)
PF02954
(HTH_8) 		5 LEU A 302
ALA A 280
LEU A 239
ASN A 197
ALA A 179
 None
 1.26A 4x1kA-1ojlA:
undetectable
4x1kB-1ojlA:
undetectable		 4x1kA-1ojlA:
20.91
4x1kB-1ojlA:
22.27
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 SER A 180
LYS A 215
LEU A 217
ASN A 219
ALA A 174
 None
 1.23A 4x1kA-1p31A:
undetectable
4x1kB-1p31A:
2.8		 4x1kA-1p31A:
23.09
4x1kB-1p31A:
23.50
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE II

(Paracoccus
denitrificans) 		PF00116
(COX2)
PF02790
(COX2_TM) 		5 SER B 205
VAL B 172
LEU B 100
LEU B  27
ALA B 189
 None
 1.25A 4x1kA-1qleB:
undetectable
4x1kB-1qleB:
undetectable		 4x1kA-1qleB:
20.32
4x1kB-1qleB:
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.
1rcw CT610

(Chlamydia
trachomatis) 		PF03070
(TENA_THI-4) 		5 SER A 143
LEU A 192
LEU A  74
ASN A  77
ALA A 137
 None
 1.18A 4x1kA-1rcwA:
undetectable
4x1kB-1rcwA:
undetectable		 4x1kA-1rcwA:
19.25
4x1kB-1rcwA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 VAL A1107
LEU A1156
LEU A1074
ALA A1154
ALA A1070
 None
 1.05A 4x1kA-1rpmA:
undetectable
4x1kB-1rpmA:
undetectable		 4x1kA-1rpmA:
20.96
4x1kB-1rpmA:
20.67
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.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 164
LEU A  98
ALA A  99
LEU A 102
ALA A 292
 None
 1.18A 4x1kA-1tltA:
undetectable
4x1kB-1tltA:
undetectable		 4x1kA-1tltA:
21.48
4x1kB-1tltA:
21.86
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.
1y11 HYPOTHETICAL PROTEIN
RV1264/MT1302

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc)
PF16701
(Ad_Cy_reg) 		5 SER A  73
LEU A  83
ALA A 111
THR A  65
ALA A  69
 None
 1.06A 4x1kA-1y11A:
undetectable
4x1kB-1y11A:
undetectable		 4x1kA-1y11A:
22.13
4x1kB-1y11A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y25 PROBABLE THIOL
PEROXIDASE

(Mycobacterium
tuberculosis) 		PF08534
(Redoxin) 		5 VAL A  64
LEU A 160
ALA A 159
ASN A  50
ALA A  76
 None
 1.11A 4x1kA-1y25A:
undetectable
4x1kB-1y25A:
undetectable		 4x1kA-1y25A:
17.49
4x1kB-1y25A:
20.05
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.
2btv PROTEIN (VP3 CORE
PROTEIN)
PROTEIN (VP7 CORE
PROTEIN)

(Bluetongue
virus) 		PF01700
(Orbi_VP3)
no annotation 		5 LEU P  18
ALA P  14
ASN P  28
THR A 445
ALA P  36
 None
 1.20A 4x1kA-2btvP:
undetectable
4x1kB-2btvP:
undetectable		 4x1kA-2btvP:
21.35
4x1kB-2btvP:
20.31
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.
2ci6 NG,
NG-DIMETHYLARGININE
DIMETHYLAMINOHYDROLA
SE 1

(Bos taurus) 		PF02274
(Amidinotransf) 		5 SER A 175
ALA A 193
LEU A 197
THR A 133
ALA A 219
 None
 1.18A 4x1kA-2ci6A:
undetectable
4x1kB-2ci6A:
undetectable		 4x1kA-2ci6A:
21.94
4x1kB-2ci6A:
20.18
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 760
VAL A 317
LEU A 693
LEU A 659
THR A 319
 FAD  A1001 (-4.7A)
None
None
FAD  A1001 (-4.4A)
None
 1.12A 4x1kA-2dw4A:
undetectable
4x1kB-2dw4A:
undetectable		 4x1kA-2dw4A:
20.12
4x1kB-2dw4A:
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.
2gt1 LIPOPOLYSACCHARIDE
HEPTOSYLTRANSFERASE-
1

(Escherichia
coli) 		PF01075
(Glyco_transf_9) 		5 LEU A 264
LEU A 271
ALA A 248
LEU A 244
ALA A 270
 None
 1.23A 4x1kA-2gt1A:
undetectable
4x1kB-2gt1A:
3.8		 4x1kA-2gt1A:
21.85
4x1kB-2gt1A:
23.38
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.
2kn6 APOPTOSIS-ASSOCIATED
SPECK-LIKE PROTEIN
CONTAINING A CARD

(Homo sapiens) 		PF00619
(CARD)
PF02758
(PYRIN) 		5 VAL A  57
LEU A  85
ALA A  11
LEU A   9
ALA A  88
 None
 1.22A 4x1kA-2kn6A:
undetectable
4x1kB-2kn6A:
undetectable		 4x1kA-2kn6A:
17.58
4x1kB-2kn6A:
19.28
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		5 SER A  30
LEU A  66
ALA A  69
LEU A  71
THR A  92
 None
 1.24A 4x1kA-2phkA:
undetectable
4x1kB-2phkA:
undetectable		 4x1kA-2phkA:
20.97
4x1kB-2phkA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q14 PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01966
(HD) 		5 VAL A 302
LEU A 257
LEU A 251
LEU A 238
ALA A 245
 None
 1.26A 4x1kA-2q14A:
undetectable
4x1kB-2q14A:
undetectable		 4x1kA-2q14A:
21.53
4x1kB-2q14A:
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.
2qna IMPORTIN SUBUNIT
BETA-1

(Homo sapiens) 		PF13513
(HEAT_EZ) 		5 SER A 708
LEU A 629
LEU A 668
LEU A 658
ASN A 699
 None
 0.96A 4x1kA-2qnaA:
undetectable
4x1kB-2qnaA:
undetectable		 4x1kA-2qnaA:
21.03
4x1kB-2qnaA:
19.25
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.
2qq4 IRON-SULFUR CLUSTER
BIOSYNTHESIS PROTEIN
ISCU

(Thermus
thermophilus) 		PF01592
(NifU_N) 		5 VAL A 123
LEU A  12
ALA A 112
LEU A 110
ALA A  69
 None
 1.21A 4x1kA-2qq4A:
undetectable
4x1kB-2qq4A:
undetectable		 4x1kA-2qq4A:
16.06
4x1kB-2qq4A:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qs7 UNCHARACTERIZED
PROTEIN

(Sulfolobus
solfataricus) 		PF13686
(DrsE_2) 		5 LYS A 100
LEU A  40
ASN A  39
THR A 140
ALA A  31
 None
None
None
EPE  A 145 (-4.4A)
None
 1.08A 4x1kA-2qs7A:
undetectable
4x1kB-2qs7A:
undetectable		 4x1kA-2qs7A:
15.75
4x1kB-2qs7A:
15.61
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.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		5 SER A2201
LEU A2203
ALA A2289
THR A2294
ALA A2192
 None
 1.16A 4x1kA-2wjsA:
undetectable
4x1kB-2wjsA:
undetectable		 4x1kA-2wjsA:
20.61
4x1kB-2wjsA:
24.39
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.
2x31 MAGNESIUM-CHELATASE
60 KDA SUBUNIT

(Rhodobacter
capsulatus) 		PF13519
(VWA_2) 		5 VAL A  59
LEU A 111
ALA A 109
LEU A  11
THR A  70
 None
 1.10A 4x1kA-2x31A:
3.1
4x1kB-2x31A:
4.0		 4x1kA-2x31A:
19.21
4x1kB-2x31A:
18.88
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 SER A  45
LEU A 150
LEU A 469
ALA A 153
ALA A  50
 MG  A1481 ( 2.3A)
None
None
None
None
 1.25A 4x1kA-2x98A:
2.5
4x1kB-2x98A:
undetectable		 4x1kA-2x98A:
24.05
4x1kB-2x98A:
22.67
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.
2zcw TRANSCRIPTIONAL
REGULATOR, FNR/CRP
FAMILY

(Thermus
thermophilus) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 VAL A 142
LEU A 151
ALA A 146
LEU A 134
ALA A 125
 None
 1.22A 4x1kA-2zcwA:
undetectable
4x1kB-2zcwA:
undetectable		 4x1kA-2zcwA:
19.20
4x1kB-2zcwA:
19.43
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.
3bf5 RIBOKINASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00294
(PfkB) 		5 LEU A  69
LEU A  10
ASN A  11
THR A 129
ALA A 110
 None
 1.16A 4x1kA-3bf5A:
3.1
4x1kB-3bf5A:
2.3		 4x1kA-3bf5A:
20.35
4x1kB-3bf5A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 5 VAL B 204
LEU B 351
LEU B 263
LEU B 275
ALA B 208
 None
SO4  B 372 (-4.5A)
None
None
None
 1.25A 4x1kA-3bxwB:
3.5
4x1kB-3bxwB:
4.1		 4x1kA-3bxwB:
22.63
4x1kB-3bxwB:
21.66
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.
3cio TYROSINE-PROTEIN
KINASE ETK

(Escherichia
coli) 		PF13614
(AAA_31) 		5 LEU A 459
LEU A 669
ALA A 698
LEU A 700
ALA A 539
 None
 1.26A 4x1kA-3cioA:
undetectable
4x1kB-3cioA:
undetectable		 4x1kA-3cioA:
21.04
4x1kB-3cioA:
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.
3dh4 SODIUM/GLUCOSE
COTRANSPORTER

(Vibrio
parahaemolyticus) 		PF00474
(SSF) 		5 CYH A 411
LEU A 412
LEU A 147
ALA A 414
ALA A 170
 None
 1.22A 4x1kA-3dh4A:
undetectable
4x1kB-3dh4A:
undetectable		 4x1kA-3dh4A:
22.09
4x1kB-3dh4A:
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.
3dtg BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF01063
(Aminotran_4) 		5 LEU A 367
LEU A 143
ALA A  82
LEU A  80
ALA A 170
 None
 1.24A 4x1kA-3dtgA:
undetectable
4x1kB-3dtgA:
undetectable		 4x1kA-3dtgA:
18.79
4x1kB-3dtgA:
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.
3ek2 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		5 LEU A  78
LEU A 135
ALA A 131
THR A 143
ALA A 139
 None
 1.20A 4x1kA-3ek2A:
5.5
4x1kB-3ek2A:
5.3		 4x1kA-3ek2A:
20.97
4x1kB-3ek2A:
23.02
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 SER A 144
LEU A  77
ALA A 136
THR A 150
ALA A  13
 None
 1.26A 4x1kA-3fefA:
undetectable
4x1kB-3fefA:
2.7		 4x1kA-3fefA:
24.66
4x1kB-3fefA:
22.79
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.
3feh CENTAURIN-ALPHA-1

(Homo sapiens) 		PF00169
(PH)
PF01412
(ArfGap) 		5 LEU A 153
ALA A 159
LEU A 180
THR A 205
ALA A 173
 None
 1.00A 4x1kA-3fehA:
undetectable
4x1kB-3fehA:
undetectable		 4x1kA-3fehA:
22.52
4x1kB-3fehA:
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.
3fms TRANSCRIPTIONAL
REGULATOR, GNTR
FAMILY

(Thermotoga
maritima) 		PF00392
(GntR)
PF07729
(FCD) 		5 LEU A  32
LEU A  55
LEU A  16
ASN A  15
ALA A  51
 None
 1.20A 4x1kA-3fmsA:
undetectable
4x1kB-3fmsA:
undetectable		 4x1kA-3fmsA:
21.45
4x1kB-3fmsA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpv EXTRACELLULAR
HAEM-BINDING PROTEIN

(Streptomyces
reticuli) 		PF03928
(Haem_degrading) 		5 LEU A  31
LEU A  29
ALA A  33
LYS A  36
ALA A 130
 None
 1.12A 4x1kA-3fpvA:
undetectable
4x1kB-3fpvA:
undetectable		 4x1kA-3fpvA:
19.68
4x1kB-3fpvA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 SER A  74
LEU A  70
ALA A  95
LEU A 155
ALA A  69
 None
 1.20A 4x1kA-3gdeA:
undetectable
4x1kB-3gdeA:
undetectable		 4x1kA-3gdeA:
21.71
4x1kB-3gdeA:
22.03
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.
3gjy SPERMIDINE SYNTHASE

(Corynebacterium
glutamicum) 		no annotation 5 VAL A 177
CYH A 197
LEU A 239
ALA A 195
ALA A 206
 None
 1.24A 4x1kA-3gjyA:
2.5
4x1kB-3gjyA:
2.0		 4x1kA-3gjyA:
19.91
4x1kB-3gjyA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gon PHOSPHOMEVALONATE
KINASE

(Streptococcus
pneumoniae) 		PF00288
(GHMP_kinases_N) 		5 SER A 303
VAL A 255
LEU A 319
LEU A 312
ALA A 280
 None
 1.18A 4x1kA-3gonA:
undetectable
4x1kB-3gonA:
undetectable		 4x1kA-3gonA:
20.62
4x1kB-3gonA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hd8 XYLANASE INHIBITOR

(Triticum
aestivum) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 VAL A  29
LEU A  99
ALA A 124
LEU A  36
ALA A 127
 None
 1.22A 4x1kA-3hd8A:
undetectable
4x1kB-3hd8A:
undetectable		 4x1kA-3hd8A:
21.89
4x1kB-3hd8A:
21.27
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.
3igf ALL4481 PROTEIN

(Nostoc sp. PCC
7120) 		PF02374
(ArsA_ATPase) 		5 VAL A 248
LEU A 243
ALA A 238
LEU A 234
THR A 221
 None
 1.18A 4x1kA-3igfA:
3.4
4x1kB-3igfA:
4.0		 4x1kA-3igfA:
22.03
4x1kB-3igfA:
22.00
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.
3ksx NITRATE TRANSPORT
PROTEIN

(Xanthomonas
citri) 		PF09084
(NMT1) 		5 VAL A 310
LEU A  72
ALA A  93
LEU A  91
ALA A  85
 None
None
None
None
MPO  A 325 (-3.7A)
 0.96A 4x1kA-3ksxA:
undetectable
4x1kB-3ksxA:
undetectable		 4x1kA-3ksxA:
24.51
4x1kB-3ksxA:
20.75
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.
3l2o F-BOX ONLY PROTEIN 4

(Homo sapiens) 		PF00646
(F-box) 		5 VAL B 292
LEU B 350
LEU B 358
THR B 362
ALA B 345
 None
 0.99A 4x1kA-3l2oB:
3.4
4x1kB-3l2oB:
3.7		 4x1kA-3l2oB:
19.50
4x1kB-3l2oB:
21.06
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.
3l82 F-BOX ONLY PROTEIN 4

(Homo sapiens) 		no annotation 5 VAL B 292
LEU B 350
LEU B 358
THR B 362
ALA B 345
 None
 0.93A 4x1kA-3l82B:
undetectable
4x1kB-3l82B:
3.3		 4x1kA-3l82B:
19.52
4x1kB-3l82B:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lqn CBS DOMAIN PROTEIN

(Bacillus
anthracis) 		PF00571
(CBS) 		5 LEU A  17
ALA A 133
LYS A 136
LEU A 135
ALA A 106
 None
SO4  A 163 (-3.5A)
SO4  A 166 (-2.4A)
None
None
 1.20A 4x1kA-3lqnA:
undetectable
4x1kB-3lqnA:
undetectable		 4x1kA-3lqnA:
17.06
4x1kB-3lqnA:
15.90
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.
3m1i RAN-SPECIFIC
GTPASE-ACTIVATING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00638
(Ran_BP1) 		5 VAL B 157
CYH B 111
ALA B  91
LEU B  93
THR B 173
 None
 1.26A 4x1kA-3m1iB:
undetectable
4x1kB-3m1iB:
undetectable		 4x1kA-3m1iB:
19.07
4x1kB-3m1iB:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1t PUTATIVE
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		5 LEU A  13
LEU A  16
LYS A 189
THR A 132
ALA A  93
 None
 1.06A 4x1kA-3m1tA:
undetectable
4x1kB-3m1tA:
undetectable		 4x1kA-3m1tA:
22.30
4x1kB-3m1tA:
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.
3o31 THERMONICOTIANAMINE
SYNTHASE

(Methanothermobacter
thermautotrophicus) 		PF03059
(NAS) 		5 VAL A 248
LEU A 136
LEU A 111
ASN A 113
ALA A 196
 None
None
None
None
3O3  A   1 (-3.4A)
 1.17A 4x1kA-3o31A:
undetectable
4x1kB-3o31A:
undetectable		 4x1kA-3o31A:
21.63
4x1kB-3o31A:
20.31
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.
3ojl CAP5O

(Staphylococcus
aureus) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 VAL A 147
LEU A   8
ALA A  79
THR A 113
ALA A 100
 None
None
None
None
NAD  A 500 ( 4.1A)
 1.26A 4x1kA-3ojlA:
3.8
4x1kB-3ojlA:
undetectable		 4x1kA-3ojlA:
22.95
4x1kB-3ojlA:
22.54
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.
3p11 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 LEU A 463
LEU A 449
LYS A 453
LEU A 455
THR A 398
 None
 1.24A 4x1kA-3p11A:
undetectable
4x1kB-3p11A:
undetectable		 4x1kA-3p11A:
20.22
4x1kB-3p11A:
23.51
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 275
ALA A 336
LYS A 331
LEU A 334
ASN A 333
 None
None
None
None
EDO  A  19 (-3.5A)
 1.26A 4x1kA-3q4tA:
undetectable
4x1kB-3q4tA:
undetectable		 4x1kA-3q4tA:
21.00
4x1kB-3q4tA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qci RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 VAL A1072
LEU A1121
LEU A1039
ALA A1119
ALA A1035
 None
 1.14A 4x1kA-3qciA:
undetectable
4x1kB-3qciA:
undetectable		 4x1kA-3qciA:
20.61
4x1kB-3qciA:
25.00
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 SER A 189
LEU A  81
LEU A 139
ALA A 175
ALA A 142
 None
 1.23A 4x1kA-3rimA:
undetectable
4x1kB-3rimA:
undetectable		 4x1kA-3rimA:
21.42
4x1kB-3rimA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swg UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aquifex
aeolicus) 		PF00275
(EPSP_synthase) 		5 SER A 373
LEU A  56
LEU A 401
THR A 310
ALA A 380
 None
None
None
EPZ  A 518 (-4.4A)
None
 1.23A 4x1kA-3swgA:
undetectable
4x1kB-3swgA:
undetectable		 4x1kA-3swgA:
23.05
4x1kB-3swgA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 VAL A  81
LEU A  60
ALA A  20
THR A 134
ALA A  76
 NAD  A 300 (-3.6A)
None
NAD  A 300 ( 3.9A)
None
None
 1.22A 4x1kA-3sx2A:
6.6
4x1kB-3sx2A:
6.6		 4x1kA-3sx2A:
20.28
4x1kB-3sx2A:
21.56
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.
3t7c CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 VAL A  77
LEU A  56
ALA A  16
THR A 135
ALA A  72
 NAD  A 279 (-3.5A)
None
NAD  A 279 ( 4.0A)
None
None
 1.18A 4x1kA-3t7cA:
6.1
4x1kB-3t7cA:
6.5		 4x1kA-3t7cA:
21.25
4x1kB-3t7cA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 VAL A  25
LEU A 233
LEU A 192
ASN A 220
ALA A 229
 None
 1.23A 4x1kA-3u4jA:
undetectable
4x1kB-3u4jA:
undetectable		 4x1kA-3u4jA:
21.74
4x1kB-3u4jA:
20.33
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.
3vzb SPHINGOSINE KINASE 1

(Homo sapiens) 		PF00781
(DAGK_cat) 		5 SER A 270
CYH A 138
LEU A 140
LEU A 134
ALA A 117
 None
EDO  A 403 (-4.1A)
None
None
None
 1.21A 4x1kA-3vzbA:
undetectable
4x1kB-3vzbA:
undetectable		 4x1kA-3vzbA:
22.03
4x1kB-3vzbA:
23.27
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 VAL A 343
LEU A 263
ALA A 259
LYS A 349
ALA A 320
 None
 1.14A 4x1kA-3x0yA:
undetectable
4x1kB-3x0yA:
undetectable		 4x1kA-3x0yA:
21.68
4x1kB-3x0yA:
20.77
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.
4bmw EXTRACELLULAR
HAEM-BINDING PROTEIN

(Streptomyces
reticuli) 		PF03928
(Haem_degrading) 		5 LEU A  31
LEU A  29
ALA A  33
LYS A  36
ALA A 130
 None
 1.07A 4x1kA-4bmwA:
undetectable
4x1kB-4bmwA:
undetectable		 4x1kA-4bmwA:
17.19
4x1kB-4bmwA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bn7 COPPER INDUCED
NITROREDUCTASE D

(Lactococcus
lactis) 		PF00881
(Nitroreductase) 		5 SER A 134
LEU A  16
LEU A 177
ALA A 148
LEU A 146
 None
 1.19A 4x1kA-4bn7A:
undetectable
4x1kB-4bn7A:
undetectable		 4x1kA-4bn7A:
19.02
4x1kB-4bn7A:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 VAL A 147
LEU A 213
LEU A 186
THR A 149
ALA A 179
 None
 1.08A 4x1kA-4bruA:
2.4
4x1kB-4bruA:
undetectable		 4x1kA-4bruA:
22.15
4x1kB-4bruA:
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.
4ct4 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF16415
(CNOT1_CAF1_bind) 		5 LEU A1292
LYS A1283
LEU A1285
ASN A1284
LYS A1236
 None
 1.25A 4x1kA-4ct4A:
undetectable
4x1kB-4ct4A:
undetectable		 4x1kA-4ct4A:
20.77
4x1kB-4ct4A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 LEU A 292
LYS A 270
LEU A 273
THR A 328
ALA A 247
 None
 1.22A 4x1kA-4ddqA:
undetectable
4x1kB-4ddqA:
undetectable		 4x1kA-4ddqA:
24.30
4x1kB-4ddqA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dx2 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 4

(Homo sapiens) 		PF00023
(Ank) 		5 LEU A 213
LEU A 199
ALA A 198
THR A 190
ALA A 241
 None
 1.23A 4x1kA-4dx2A:
undetectable
4x1kB-4dx2A:
undetectable		 4x1kA-4dx2A:
19.08
4x1kB-4dx2A:
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.
4egj D-ALANINE--D-ALANINE
LIGASE

(Paraburkholderia
xenovorans) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 CYH A 196
LEU A 287
LEU A 203
ALA A 291
ALA A 198
 None
 1.19A 4x1kA-4egjA:
undetectable
4x1kB-4egjA:
undetectable		 4x1kA-4egjA:
22.68
4x1kB-4egjA:
22.91
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.
4gqt HEAT SHOCK PROTEIN
90

(Caenorhabditis
elegans) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 SER A 117
VAL A 124
LEU A  20
THR A 103
ALA A 114
 None
ADP  A 500 (-4.5A)
None
None
None
 1.15A 4x1kA-4gqtA:
undetectable
4x1kB-4gqtA:
undetectable		 4x1kA-4gqtA:
18.85
4x1kB-4gqtA:
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.
4hb9 SIMILARITIES WITH
PROBABLE
MONOOXYGENASE

(Photorhabdus
laumondii) 		PF01494
(FAD_binding_3) 		5 LEU A 334
LEU A 315
ALA A 337
THR A 124
ALA A 160
 None
 1.07A 4x1kA-4hb9A:
3.2
4x1kB-4hb9A:
undetectable		 4x1kA-4hb9A:
21.21
4x1kB-4hb9A:
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.
4hh2 TRANSCRIPTIONAL
REGULATOR, PPSR

(Rhodobacter
sphaeroides) 		PF13188
(PAS_8)
PF13426
(PAS_9) 		5 VAL A 237
LEU A 181
LEU A 183
ALA A 179
ALA A 227
 None
 1.26A 4x1kA-4hh2A:
undetectable
4x1kB-4hh2A:
undetectable		 4x1kA-4hh2A:
21.56
4x1kB-4hh2A:
22.39
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 VAL A 230
LEU A 204
ALA A 209
LEU A 211
ALA A 196
 None
None
None
None
SO4  A 402 (-3.3A)
 1.04A 4x1kA-4idaA:
undetectable
4x1kB-4idaA:
undetectable		 4x1kA-4idaA:
21.37
4x1kB-4idaA:
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		5 VAL A 288
ALA A 258
LEU A 260
THR A 339
ALA A 297
 None
 1.17A 4x1kA-4k9sA:
3.0
4x1kB-4k9sA:
2.4		 4x1kA-4k9sA:
22.38
4x1kB-4k9sA:
20.73
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 VAL E 345
LEU E  15
ALA E  27
LEU E 353
ALA E 160
 None
None
None
None
FAD  E 505 (-4.6A)
 1.20A 4x1kA-4kprE:
undetectable
4x1kB-4kprE:
undetectable		 4x1kA-4kprE:
19.62
4x1kB-4kprE:
21.00
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.
4oby ARGININE--TRNA
LIGASE

(Escherichia
coli) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 ALA A 397
LEU A 393
THR A 136
LYS A 430
ALA A 432
 None
 1.23A 4x1kA-4obyA:
undetectable
4x1kB-4obyA:
undetectable		 4x1kA-4obyA:
21.55
4x1kB-4obyA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		5 SER A  97
VAL A  93
ALA A 104
LEU A 252
ASN A  92
 SO4  A 502 (-3.4A)
None
None
None
GOL  A 508 (-3.8A)
 0.95A 4x1kA-4p3mA:
undetectable
4x1kB-4p3mA:
undetectable		 4x1kA-4p3mA:
22.93
4x1kB-4p3mA:
21.47
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT D

(Vibrio cholerae) 		PF02508
(Rnf-Nqr) 		5 VAL D 114
LEU D 145
ALA D  31
LEU D 107
ASN D 111
 None
 1.22A 4x1kA-4p6vD:
undetectable
4x1kB-4p6vD:
undetectable		 4x1kA-4p6vD:
20.14
4x1kB-4p6vD:
18.24
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.
4rd8 UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 CYH A 134
LEU A 138
LEU A  81
LEU A  76
ALA A 130
 None
 1.25A 4x1kA-4rd8A:
undetectable
4x1kB-4rd8A:
undetectable		 4x1kA-4rd8A:
20.68
4x1kB-4rd8A:
19.42
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.
4rn7 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Clostridioides
difficile) 		PF01520
(Amidase_3) 		5 SER A 193
VAL A 165
ALA A 180
THR A 118
ALA A 257
 None
None
None
FMT  A 406 ( 3.7A)
None
 1.26A 4x1kA-4rn7A:
undetectable
4x1kB-4rn7A:
3.9		 4x1kA-4rn7A:
18.89
4x1kB-4rn7A:
18.75
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.
4tpg PROTON:OLIGOPEPTIDE
SYMPORTER POT FAMILY

(Shewanella
oneidensis) 		PF00854
(PTR2) 		5 LEU A 160
LEU A  34
ALA A 181
ASN A 169
ALA A 323
 None
 1.13A 4x1kA-4tpgA:
undetectable
4x1kB-4tpgA:
undetectable		 4x1kA-4tpgA:
22.58
4x1kB-4tpgA:
20.25
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.
4uv6 APICAL MEROZOITE
ANTIGEN 1

(Plasmodium
knowlesi) 		PF02430
(AMA-1) 		5 VAL A 102
LEU A 195
LYS A  99
LEU A 232
ALA A 127
 None
 1.01A 4x1kA-4uv6A:
undetectable
4x1kB-4uv6A:
undetectable		 4x1kA-4uv6A:
21.87
4x1kB-4uv6A:
20.17
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.
4ycr TELLURITE RESISTANCE
PROTEIN TEHA HOMOLOG

(Haemophilus
influenzae) 		PF03595
(SLAC1) 		5 SER A 156
LEU A  92
ALA A  21
LEU A  23
THR A 272
 None
 1.19A 4x1kA-4ycrA:
undetectable
4x1kB-4ycrA:
undetectable		 4x1kA-4ycrA:
20.09
4x1kB-4ycrA:
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.
4zal UBIX

(Pseudomonas
aeruginosa) 		PF02441
(Flavoprotein) 		5 LEU A 157
LEU A 134
ALA A 159
THR A 105
ALA A 124
 None
 1.13A 4x1kA-4zalA:
3.8
4x1kB-4zalA:
5.7		 4x1kA-4zalA:
19.55
4x1kB-4zalA:
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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 LEU A 167
LEU A 160
LEU A 100
THR A  84
ALA A 127
 None
 1.17A 4x1kA-5affA:
undetectable
4x1kB-5affA:
2.6		 4x1kA-5affA:
20.66
4x1kB-5affA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 282
LEU A 316
LEU A 314
LEU A 386
ALA A 312
 None
 1.09A 4x1kA-5bz4A:
undetectable
4x1kB-5bz4A:
undetectable		 4x1kA-5bz4A:
22.72
4x1kB-5bz4A:
22.49
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.
5ck3 PUTATIVE SIGNAL
RECOGNITION PARTICLE
PROTEIN

(Chaetomium
thermophilum) 		PF09439
(SRPRB) 		5 VAL B 130
LEU B  67
LEU B  69
LEU B 115
ALA B 336
 None
 1.22A 4x1kA-5ck3B:
undetectable
4x1kB-5ck3B:
3.5		 4x1kA-5ck3B:
23.72
4x1kB-5ck3B:
21.18
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.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 5 SER A 314
CYH A 253
LEU A 250
LEU A 311
ALA A 308
 None
 1.21A 4x1kA-5f0oA:
undetectable
4x1kB-5f0oA:
undetectable		 4x1kA-5f0oA:
16.84
4x1kB-5f0oA:
18.63
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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 VAL A 399
LEU A 424
LEU A 359
THR A 187
ALA A 378
 None
 1.20A 4x1kA-5ijgA:
undetectable
4x1kB-5ijgA:
3.0		 4x1kA-5ijgA:
24.65
4x1kB-5ijgA:
21.66
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF00207
(A2M)
PF01821
(ANATO)
PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		5 LEU B1217
LEU B1200
ALA B1213
THR B1138
ALA B1199
 None
 1.25A 4x1kA-5jpnB:
undetectable
4x1kB-5jpnB:
undetectable		 4x1kA-5jpnB:
19.87
4x1kB-5jpnB:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 5 SER A  97
VAL A 132
LEU A 149
LEU A 204
ALA A  83
 None
 1.11A 4x1kA-5minA:
undetectable
4x1kB-5minA:
undetectable		 4x1kA-5minA:
11.14
4x1kB-5minA:
9.93
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.
5ny5 3,4-DIHYDROXYBENZOAT
E DECARBOXYLASE

(Enterobacter
cloacae) 		PF01977
(UbiD) 		5 SER A 338
LEU A 365
ALA A 356
ASN A 353
ALA A 388
 None
 1.09A 4x1kA-5ny5A:
undetectable
4x1kB-5ny5A:
undetectable		 4x1kA-5ny5A:
21.31
4x1kB-5ny5A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		5 SER A 338
LEU A 365
ALA A 356
ASN A 353
ALA A 388
 None
 1.17A 4x1kA-5o3mA:
undetectable
4x1kB-5o3mA:
undetectable		 4x1kA-5o3mA:
21.35
4x1kB-5o3mA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tbk IMPORTIN SUBUNIT
ALPHA-3

(Homo sapiens) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 LEU A 166
LEU A 181
ASN A 183
THR A 150
ALA A 136
 None
 1.06A 4x1kA-5tbkA:
undetectable
4x1kB-5tbkA:
undetectable		 4x1kA-5tbkA:
23.25
4x1kB-5tbkA:
24.05
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.
5tjr METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
AAC) 		PF00171
(Aldedh) 		5 LEU A 211
ALA A 143
LEU A 171
ASN A 199
ALA A 207
 None
 0.90A 4x1kA-5tjrA:
undetectable
4x1kB-5tjrA:
undetectable		 4x1kA-5tjrA:
22.82
4x1kB-5tjrA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tul TETRACYCLINE
DESTRUCTASE TET(55)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		5 SER A 358
VAL A  78
ALA A 353
LEU A 205
THR A 197
 None
 1.23A 4x1kA-5tulA:
undetectable
4x1kB-5tulA:
undetectable		 4x1kA-5tulA:
23.11
4x1kB-5tulA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u3f BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01063
(Aminotran_4) 		5 LEU A 367
LEU A 143
ALA A  82
LEU A  80
ALA A 170
 None
 1.24A 4x1kA-5u3fA:
undetectable
4x1kB-5u3fA:
undetectable		 4x1kA-5u3fA:
21.00
4x1kB-5u3fA:
22.62
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.
5uhy ZV67 FAB CHAIN 2

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 215
LEU H 178
ALA H  84
LEU H  82
THR H   9
 None
 1.25A 4x1kA-5uhyH:
undetectable
4x1kB-5uhyH:
undetectable		 4x1kA-5uhyH:
17.96
4x1kB-5uhyH:
21.76
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.
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-4

(Homo sapiens) 		no annotation 5 CYH I  34
LEU I  35
ALA I  47
LEU I  45
ALA I  77
 None
 1.25A 4x1kA-5vfrI:
undetectable
4x1kB-5vfrI:
undetectable		 4x1kA-5vfrI:
undetectable
4x1kB-5vfrI:
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.
6c8g TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL, SUBFAMILY
V, MEMBER 4

(Xenopus
tropicalis) 		no annotation 5 LEU A 209
LEU A 195
ALA A 194
THR A 186
ALA A 237
 None
 1.26A 4x1kA-6c8gA:
undetectable
4x1kB-6c8gA:
undetectable		 4x1kA-6c8gA:
12.50
4x1kB-6c8gA:
12.87
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 5 CYH M 199
LEU M 160
LEU M 195
ALA M 163
THR M 182
 None
None
3PE  M 502 ( 4.1A)
3PE  M 502 ( 4.3A)
None
 0.97A 4x1kA-6g2jM:
undetectable
4x1kB-6g2jM:
undetectable		 4x1kA-6g2jM:
10.93
4x1kB-6g2jM:
11.81