SIMILAR PATTERNS OF AMINO ACIDS FOR 3L8L_C_DVAC6_0

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.
1ak0 P1 NUCLEASE

(Penicillium
citrinum) 		PF02265
(S1-P1_nuclease) 		3 ALA A 108
VAL A  97
TRP A  24
 None
 0.77A 3l8lC-1ak0A:
undetectable
3l8lD-1ak0A:
undetectable		 3l8lC-1ak0A:
3.85
3l8lD-1ak0A:
3.85
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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ALA A 149
VAL A 151
TRP A 154
 None
 0.84A 3l8lC-1b3bA:
undetectable
3l8lD-1b3bA:
undetectable		 3l8lC-1b3bA:
6.50
3l8lD-1b3bA:
6.00
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.
1bii MHC CLASS I H-2DD

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 ALA A  11
VAL A   9
TRP A  97
 None
 0.74A 3l8lC-1biiA:
undetectable
3l8lD-1biiA:
undetectable		 3l8lC-1biiA:
3.68
3l8lD-1biiA:
3.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddh MHC CLASS I H-2DD
HEAVY CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 ALA A  11
VAL A   9
TRP A  97
 None
 0.82A 3l8lC-1ddhA:
undetectable
3l8lD-1ddhA:
undetectable		 3l8lC-1ddhA:
4.14
3l8lD-1ddhA:
4.14
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.
1dj0 PSEUDOURIDINE
SYNTHASE I

(Escherichia
coli) 		PF01416
(PseudoU_synth_1) 		3 ALA A 249
VAL A  69
TRP A  99
 None
 0.86A 3l8lC-1dj0A:
undetectable
3l8lD-1dj0A:
undetectable		 3l8lC-1dj0A:
17.54
3l8lD-1dj0A:
17.54
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.
1ebp EPO RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF09067
(EpoR_lig-bind) 		3 ALA A 102
VAL A 100
TRP A  40
 None
 0.86A 3l8lC-1ebpA:
undetectable
3l8lD-1ebpA:
undetectable		 3l8lC-1ebpA:
6.94
3l8lD-1ebpA:
9.45
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.
1ed3 CLASS I MAJOR
HISTOCOMPATIBILITY
ANTIGEN RT1-AA

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 ALA A 187
VAL A 189
TRP A 217
 None
 0.80A 3l8lC-1ed3A:
undetectable
3l8lD-1ed3A:
undetectable		 3l8lC-1ed3A:
4.78
3l8lD-1ed3A:
4.78
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.
1k3b DIPEPTYDIL-PEPTIDASE
I EXCLUSION DOMAIN

(Homo sapiens) 		PF08773
(CathepsinC_exc) 		3 ALA A  79
VAL A 102
TRP A  77
 None
 0.85A 3l8lC-1k3bA:
undetectable
3l8lD-1k3bA:
undetectable		 3l8lC-1k3bA:
10.75
3l8lD-1k3bA:
11.83
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.
1k8d QA-2 ANTIGEN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 ALA A 187
VAL A 189
TRP A 217
 None
 0.78A 3l8lC-1k8dA:
undetectable
3l8lD-1k8dA:
undetectable		 3l8lC-1k8dA:
4.40
3l8lD-1k8dA:
4.40
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.
1mhc MHC CLASS I ANTIGEN
H2-M3

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 ALA A 187
VAL A 189
TRP A 217
 None
 0.82A 3l8lC-1mhcA:
undetectable
3l8lD-1mhcA:
undetectable		 3l8lC-1mhcA:
4.78
3l8lD-1mhcA:
4.78
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.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		3 ALA A 129
VAL A 123
TRP A  51
 None
 0.71A 3l8lC-1sfrA:
undetectable
3l8lD-1sfrA:
undetectable		 3l8lC-1sfrA:
6.90
3l8lD-1sfrA:
4.81
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.
1sfs HYPOTHETICAL PROTEIN

(Geobacillus
stearothermophilus) 		PF08924
(DUF1906) 		3 ALA A 154
VAL A 158
TRP A 189
 None
 0.75A 3l8lC-1sfsA:
undetectable
3l8lD-1sfsA:
undetectable		 3l8lC-1sfsA:
7.59
3l8lD-1sfsA:
6.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		3 ALA A  99
VAL A  93
TRP A  34
 None
 0.80A 3l8lC-1womA:
undetectable
3l8lD-1womA:
undetectable		 3l8lC-1womA:
18.33
3l8lD-1womA:
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		3 ALA A  49
VAL A  44
TRP A  41
 None
 0.68A 3l8lC-1xjeA:
undetectable
3l8lD-1xjeA:
undetectable		 3l8lC-1xjeA:
1.74
3l8lD-1xjeA:
1.90
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.
1yhu HEMOGLOBIN B1A CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		3 ALA C  24
VAL C  19
TRP C  16
 None
 0.82A 3l8lC-1yhuC:
undetectable
3l8lD-1yhuC:
undetectable		 3l8lC-1yhuC:
5.97
3l8lD-1yhuC:
8.59
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.
1z5z HELICASE OF THE
SNF2/RAD54 FAMILY

(Sulfolobus
solfataricus) 		PF00271
(Helicase_C) 		3 ALA A 809
VAL A 807
TRP A 828
 None
 0.57A 3l8lC-1z5zA:
undetectable
3l8lD-1z5zA:
undetectable		 3l8lC-1z5zA:
3.82
3l8lD-1z5zA:
5.15
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.
2g7s TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Agrobacterium
fabrum) 		PF00440
(TetR_N) 		3 ALA A 156
VAL A 136
TRP A 132
 None
 0.84A 3l8lC-2g7sA:
undetectable
3l8lD-2g7sA:
undetectable		 3l8lC-2g7sA:
10.43
3l8lD-2g7sA:
10.43
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.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		3 ALA A 173
VAL A 165
TRP A 205
 None
 0.82A 3l8lC-2i4cA:
undetectable
3l8lD-2i4cA:
undetectable		 3l8lC-2i4cA:
4.14
3l8lD-2i4cA:
4.14
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.
2jki SGT1-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF04969
(CS) 		3 ALA S 227
VAL S 163
TRP S 234
 None
 0.83A 3l8lC-2jkiS:
undetectable
3l8lD-2jkiS:
undetectable		 3l8lC-2jkiS:
12.33
3l8lD-2jkiS:
15.94
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.
2o8p 14-3-3 DOMAIN
CONTAINING PROTEIN

(Cryptosporidium
parvum) 		PF00244
(14-3-3) 		3 ALA A  18
VAL A  20
TRP A  23
 None
 0.82A 3l8lC-2o8pA:
undetectable
3l8lD-2o8pA:
undetectable		 3l8lC-2o8pA:
5.81
3l8lD-2o8pA:
10.10
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.
2owp HYPOTHETICAL PROTEIN
BXE_B1374

(Paraburkholderia
xenovorans) 		PF11533
(DUF3225) 		3 ALA A  10
VAL A  12
TRP A 115
 None
 0.79A 3l8lC-2owpA:
undetectable
3l8lD-2owpA:
undetectable		 3l8lC-2owpA:
7.69
3l8lD-2owpA:
5.98
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.
2oz8 MLL7089 PROTEIN

(Mesorhizobium
japonicum) 		PF13378
(MR_MLE_C) 		3 ALA A 204
VAL A 209
TRP A 242
 None
 0.75A 3l8lC-2oz8A:
undetectable
3l8lD-2oz8A:
undetectable		 3l8lC-2oz8A:
4.78
3l8lD-2oz8A:
4.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p6r AFUHEL308 HELICASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ALA A  60
VAL A  62
TRP A  91
 None
 0.83A 3l8lC-2p6rA:
undetectable
3l8lD-2p6rA:
undetectable		 3l8lC-2p6rA:
2.21
3l8lD-2p6rA:
2.38
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.
2p9n ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1B

(Bos taurus) 		PF00400
(WD40) 		3 ALA C  76
VAL C  78
TRP C 104
 None
 0.62A 3l8lC-2p9nC:
undetectable
3l8lD-2p9nC:
undetectable		 3l8lC-2p9nC:
3.52
3l8lD-2p9nC:
3.52
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.
2poi BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		3 ALA A  44
VAL A  42
TRP A  73
 None
 0.85A 3l8lC-2poiA:
undetectable
3l8lD-2poiA:
undetectable		 3l8lC-2poiA:
8.05
3l8lD-2poiA:
8.24
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.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		3 ALA A 123
VAL A 117
TRP A  60
 None
 0.86A 3l8lC-2psfA:
undetectable
3l8lD-2psfA:
undetectable		 3l8lC-2psfA:
4.62
3l8lD-2psfA:
6.15
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.
2qkq EPHRIN TYPE-B
RECEPTOR 4

(Homo sapiens) 		PF00536
(SAM_1) 		3 ALA A 963
VAL A 965
TRP A 915
 None
 0.85A 3l8lC-2qkqA:
undetectable
3l8lD-2qkqA:
undetectable		 3l8lC-2qkqA:
12.12
3l8lD-2qkqA:
9.64
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.
2vak SIGMA A

(Avian
orthoreovirus) 		PF03084
(Sigma_1_2) 		3 ALA A  83
VAL A  85
TRP A 105
 None
 0.76A 3l8lC-2vakA:
undetectable
3l8lD-2vakA:
undetectable		 3l8lC-2vakA:
5.53
3l8lD-2vakA:
5.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpj KELCH-LIKE PROTEIN
12

(Homo sapiens) 		PF01344
(Kelch_1) 		3 ALA A 492
VAL A 478
TRP A 547
 None
 0.86A 3l8lC-2vpjA:
undetectable
3l8lD-2vpjA:
undetectable		 3l8lC-2vpjA:
4.61
3l8lD-2vpjA:
3.65
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.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		3 ALA A 117
VAL A 115
TRP A 112
 None
 0.80A 3l8lC-2w8qA:
undetectable
3l8lD-2w8qA:
undetectable		 3l8lC-2w8qA:
2.88
3l8lD-2w8qA:
3.12
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		3 ALA A  63
VAL A  65
TRP A  81
 None
 0.81A 3l8lC-2x05A:
undetectable
3l8lD-2x05A:
undetectable		 3l8lC-2x05A:
1.74
3l8lD-2x05A:
2.04
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.
2yvh TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		3 ALA A  89
VAL A  92
TRP A  63
 None
 0.73A 3l8lC-2yvhA:
undetectable
3l8lD-2yvhA:
undetectable		 3l8lC-2yvhA:
9.65
3l8lD-2yvhA:
9.65
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		3 ALA A 626
VAL A 624
TRP A 621
 HEM  A 802 (-3.5A)
LOP  A 810 (-4.9A)
LOP  A 810 (-3.6A)
 0.84A 3l8lC-3ayfA:
undetectable
3l8lD-3ayfA:
undetectable		 3l8lC-3ayfA:
3.17
3l8lD-3ayfA:
1.88
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.
3b12 FLUOROACETATE
DEHALOGENASE

(Burkholderia
sp.) 		PF00561
(Abhydrolase_1) 		3 ALA A 104
VAL A 126
TRP A 255
 FAH  A 501 (-3.5A)
None
None
 0.82A 3l8lC-3b12A:
undetectable
3l8lD-3b12A:
undetectable		 3l8lC-3b12A:
4.66
3l8lD-3b12A:
5.33
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		3 ALA A 104
VAL A  59
TRP A  84
 None
 0.74A 3l8lC-3bexA:
undetectable
3l8lD-3bexA:
undetectable		 3l8lC-3bexA:
15.15
3l8lD-3bexA:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3db2 PUTATIVE
NADPH-DEPENDENT
OXIDOREDUCTASE

(Desulfitobacterium
hafniense) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 ALA A  22
VAL A  18
TRP A  15
 None
 0.63A 3l8lC-3db2A:
undetectable
3l8lD-3db2A:
undetectable		 3l8lC-3db2A:
6.75
3l8lD-3db2A:
5.08
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		3 ALA A 444
VAL A 475
TRP A 505
 None
 0.73A 3l8lC-3eqnA:
undetectable
3l8lD-3eqnA:
undetectable		 3l8lC-3eqnA:
2.74
3l8lD-3eqnA:
2.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ewi N-ACYLNEURAMINATE
CYTIDYLYLTRANSFERASE

(Mus musculus) 		no annotation 3 ALA A  86
VAL A  88
TRP A  91
 None
 0.81A 3l8lC-3ewiA:
undetectable
3l8lD-3ewiA:
undetectable		 3l8lC-3ewiA:
12.50
3l8lD-3ewiA:
8.13
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.
3gq2 GENERAL VESICULAR
TRANSPORT FACTOR
P115

(Bos taurus) 		PF04869
(Uso1_p115_head) 		3 ALA A 440
VAL A 442
TRP A 438
 None
 0.82A 3l8lC-3gq2A:
undetectable
3l8lD-3gq2A:
undetectable		 3l8lC-3gq2A:
2.68
3l8lD-3gq2A:
2.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjg PUTATIVE
ALPHA-RIBAZOLE-5'-PH
OSPHATE PHOSPHATASE
COBC

(Vibrio
parahaemolyticus) 		PF00300
(His_Phos_1) 		3 ALA A 156
VAL A 158
TRP A 131
 None
 0.84A 3l8lC-3hjgA:
undetectable
3l8lD-3hjgA:
undetectable		 3l8lC-3hjgA:
8.51
3l8lD-3hjgA:
9.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibz PUTATIVE TELLURIUM
RESISTANT LIKE
PROTEIN TERD

(Streptomyces
coelicolor) 		PF02342
(TerD) 		3 ALA A 100
VAL A  98
TRP A 167
 None
 0.77A 3l8lC-3ibzA:
undetectable
3l8lD-3ibzA:
undetectable		 3l8lC-3ibzA:
6.55
3l8lD-3ibzA:
6.55
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.
3k3d PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF08448
(PAS_4) 		3 ALA A  13
VAL A  11
TRP A   7
 None
 0.79A 3l8lC-3k3dA:
undetectable
3l8lD-3k3dA:
undetectable		 3l8lC-3k3dA:
13.58
3l8lD-3k3dA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		3 ALA A1422
VAL A1424
TRP A1547
 None
 0.67A 3l8lC-3k9bA:
undetectable
3l8lD-3k9bA:
undetectable		 3l8lC-3k9bA:
5.88
3l8lD-3k9bA:
3.48
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		3 ALA A 695
VAL A 698
TRP A 596
 None
 0.74A 3l8lC-3kflA:
undetectable
3l8lD-3kflA:
undetectable		 3l8lC-3kflA:
4.38
3l8lD-3kflA:
3.70
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.
3lub PUTATIVE CREATININE
AMIDOHYDROLASE

(Bacteroides
fragilis) 		PF02633
(Creatininase) 		3 ALA A 163
VAL A 217
TRP A 208
 None
 0.85A 3l8lC-3lubA:
undetectable
3l8lD-3lubA:
undetectable		 3l8lC-3lubA:
4.82
3l8lD-3lubA:
5.22
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		3 ALA A 131
VAL A 174
TRP A 104
 None
 0.80A 3l8lC-3lv4A:
undetectable
3l8lD-3lv4A:
undetectable		 3l8lC-3lv4A:
2.91
3l8lD-3lv4A:
3.16
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.
3mcw PUTATIVE HYDROLASE

(Chromobacterium
violaceum) 		PF00857
(Isochorismatase) 		3 ALA A 118
VAL A 116
TRP A  47
 None
 0.69A 3l8lC-3mcwA:
undetectable
3l8lD-3mcwA:
undetectable		 3l8lC-3mcwA:
6.72
3l8lD-3mcwA:
11.76
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.
3npf PUTATIVE
DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
ovatus) 		PF00877
(NLPC_P60) 		3 ALA A 131
VAL A 107
TRP A 168
 None
 0.81A 3l8lC-3npfA:
undetectable
3l8lD-3npfA:
undetectable		 3l8lC-3npfA:
6.88
3l8lD-3npfA:
6.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdf DIPEPTIDYL PEPTIDASE
1

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		3 ALA A  79
VAL A 102
TRP A  77
 None
 0.85A 3l8lC-3pdfA:
undetectable
3l8lD-3pdfA:
undetectable		 3l8lC-3pdfA:
2.13
3l8lD-3pdfA:
5.61
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		3 ALA A 216
VAL A 168
TRP A 172
 None
 0.84A 3l8lC-3ppoA:
undetectable
3l8lD-3ppoA:
undetectable		 3l8lC-3ppoA:
5.46
3l8lD-3ppoA:
5.46
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		3 ALA A 215
VAL A 194
TRP A 258
 None
 0.85A 3l8lC-3q9cA:
undetectable
3l8lD-3q9cA:
undetectable		 3l8lC-3q9cA:
2.68
3l8lD-3q9cA:
3.04
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.
3qom 6-PHOSPHO-BETA-GLUCO
SIDASE

(Lactobacillus
plantarum) 		PF00232
(Glyco_hydro_1) 		3 ALA A 475
VAL A 469
TRP A  14
 None
 0.82A 3l8lC-3qomA:
undetectable
3l8lD-3qomA:
undetectable		 3l8lC-3qomA:
3.12
3l8lD-3qomA:
3.70
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		3 ALA A 196
VAL A 198
TRP A 169
 None
 0.81A 3l8lC-3s51A:
undetectable
3l8lD-3s51A:
undetectable		 3l8lC-3s51A:
1.35
3l8lD-3s51A:
1.66
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		3 ALA A 329
VAL A 299
TRP A 338
 None
 0.78A 3l8lC-3sfzA:
undetectable
3l8lD-3sfzA:
undetectable		 3l8lC-3sfzA:
1.80
3l8lD-3sfzA:
2.01
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.
3uaj ENVELOPE PROTEIN

(Dengue virus) 		no annotation 3 ALA B  35
VAL B  15
TRP B  20
 None
 0.79A 3l8lC-3uajB:
undetectable
3l8lD-3uajB:
undetectable		 3l8lC-3uajB:
6.42
3l8lD-3uajB:
6.42
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.
3v4h HYPOTHETICAL PROTEIN

(Yersinia pestis) 		PF05638
(T6SS_HCP) 		3 ALA A  35
VAL A  53
TRP A  32
 None
 0.80A 3l8lC-3v4hA:
undetectable
3l8lD-3v4hA:
undetectable		 3l8lC-3v4hA:
10.00
3l8lD-3v4hA:
8.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bj4 AMPDH2

(Pseudomonas
aeruginosa) 		PF01471
(PG_binding_1)
PF01510
(Amidase_2) 		3 ALA A  87
VAL A  89
TRP A  97
 None
None
FLC  A1260 (-4.9A)
 0.81A 3l8lC-4bj4A:
undetectable
3l8lD-4bj4A:
undetectable		 3l8lC-4bj4A:
7.48
3l8lD-4bj4A:
8.16
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.
4bvl PHB DEPOLYMERASE
PHAZ7

(Paucimonas
lemoignei) 		PF01674
(Lipase_2) 		3 ALA A 295
VAL A 244
TRP A 287
 None
 0.82A 3l8lC-4bvlA:
undetectable
3l8lD-4bvlA:
undetectable		 3l8lC-4bvlA:
4.98
3l8lD-4bvlA:
4.97
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		3 ALA A 230
VAL A 232
TRP A 172
 None
 0.81A 3l8lC-4c90A:
undetectable
3l8lD-4c90A:
undetectable		 3l8lC-4c90A:
3.20
3l8lD-4c90A:
3.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4chb KELCH-LIKE PROTEIN 2

(Homo sapiens) 		PF01344
(Kelch_1) 		3 ALA A 419
VAL A 405
TRP A 476
 None
 0.82A 3l8lC-4chbA:
undetectable
3l8lD-4chbA:
undetectable		 3l8lC-4chbA:
11.25
3l8lD-4chbA:
11.25
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		3 ALA A 127
VAL A 170
TRP A 100
 None
TRS  A1471 (-3.9A)
TRS  A1471 (-3.5A)
 0.77A 3l8lC-4cotA:
undetectable
3l8lD-4cotA:
undetectable		 3l8lC-4cotA:
6.78
3l8lD-4cotA:
2.47
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.
4f53 SUSD HOMOLOG

(Bacteroides
ovatus) 		PF12741
(SusD-like) 		3 ALA A 202
VAL A  48
TRP A  45
 None
 0.81A 3l8lC-4f53A:
undetectable
3l8lD-4f53A:
undetectable		 3l8lC-4f53A:
2.62
3l8lD-4f53A:
3.14
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.
4jhy HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF14730
(DUF4468) 		3 ALA A 172
VAL A 174
TRP A  59
 None
 0.82A 3l8lC-4jhyA:
undetectable
3l8lD-4jhyA:
undetectable		 3l8lC-4jhyA:
6.25
3l8lD-4jhyA:
6.25
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.
4jyp HYDROLASE,
ALPHA/BETA FOLD
FAMILY PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		3 ALA A  98
VAL A  92
TRP A  33
 None
 0.86A 3l8lC-4jypA:
undetectable
3l8lD-4jypA:
undetectable		 3l8lC-4jypA:
9.80
3l8lD-4jypA:
9.80
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.
4n9n STEROL UPTAKE
CONTROL PROTEIN 2,
LYSOZYME

(Saccharomyces
cerevisiae;
Escherichia
virus T4) 		PF00959
(Phage_lysozyme)
PF11951
(Fungal_trans_2) 		3 ALA A 711
VAL A 872
TRP A 732
 None
 0.79A 3l8lC-4n9nA:
undetectable
3l8lD-4n9nA:
undetectable		 3l8lC-4n9nA:
3.16
3l8lD-4n9nA:
3.48
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 ALA A 328
VAL A 326
TRP A 351
 None
 0.37A 3l8lC-4om9A:
undetectable
3l8lD-4om9A:
undetectable		 3l8lC-4om9A:
1.65
3l8lD-4om9A:
1.78
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 ALA A 439
VAL A 441
TRP A 585
 None
 0.81A 3l8lC-4ox2A:
undetectable
3l8lD-4ox2A:
undetectable		 3l8lC-4ox2A:
9.16
3l8lD-4ox2A:
4.06
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.
4oxc E3 UBIQUITIN-PROTEIN
LIGASE XIAP

(Homo sapiens) 		PF00653
(BIR) 		3 ALA A  44
VAL A  42
TRP A  73
 None
 0.73A 3l8lC-4oxcA:
undetectable
3l8lD-4oxcA:
undetectable		 3l8lC-4oxcA:
6.31
3l8lD-4oxcA:
8.14
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		3 ALA A 144
VAL A  80
TRP A  76
 None
 0.57A 3l8lC-4qjyA:
undetectable
3l8lD-4qjyA:
undetectable		 3l8lC-4qjyA:
3.34
3l8lD-4qjyA:
2.17
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.
4qtt MULTIFUNCTIONAL
METHYLTRANSFERASE
SUBUNIT TRM112

(Saccharomyces
cerevisiae) 		PF03966
(Trm112p) 		3 ALA A  64
VAL A  59
TRP A  56
 None
 0.82A 3l8lC-4qttA:
undetectable
3l8lD-4qttA:
undetectable		 3l8lC-4qttA:
5.83
3l8lD-4qttA:
6.67
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.
4r0k DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
thetaiotaomicron) 		PF00877
(NLPC_P60) 		3 ALA A 131
VAL A 107
TRP A 168
 None
 0.80A 3l8lC-4r0kA:
undetectable
3l8lD-4r0kA:
undetectable		 3l8lC-4r0kA:
4.42
3l8lD-4r0kA:
8.91
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.
4uuo CYTOSOLIC MALATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 ALA A 152
VAL A 124
TRP A 150
 None
 0.56A 3l8lC-4uuoA:
undetectable
3l8lD-4uuoA:
undetectable		 3l8lC-4uuoA:
6.80
3l8lD-4uuoA:
6.80
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		3 ALA A 598
VAL A 593
TRP A 590
 None
 0.73A 3l8lC-4xwlA:
undetectable
3l8lD-4xwlA:
undetectable		 3l8lC-4xwlA:
2.84
3l8lD-4xwlA:
2.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		3 ALA A 476
VAL A 470
TRP A  15
 None
 0.76A 3l8lC-4zfmA:
undetectable
3l8lD-4zfmA:
undetectable		 3l8lC-4zfmA:
2.93
3l8lD-4zfmA:
3.15
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 ALA A 382
VAL A 377
TRP A 374
 NAG  A1501 (-4.1A)
None
None
 0.77A 3l8lC-5a7mA:
undetectable
3l8lD-5a7mA:
undetectable		 3l8lC-5a7mA:
1.95
3l8lD-5a7mA:
2.28
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.
5b3g PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		3 ALA B 393
VAL B 522
TRP B 234
 None
 0.62A 3l8lC-5b3gB:
undetectable
3l8lD-5b3gB:
undetectable		 3l8lC-5b3gB:
5.75
3l8lD-5b3gB:
5.75
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.
5b3h PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		3 ALA B 393
VAL B 522
TRP B 234
 None
 0.68A 3l8lC-5b3hB:
undetectable
3l8lD-5b3hB:
undetectable		 3l8lC-5b3hB:
5.75
3l8lD-5b3hB:
5.75
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.
5dgk ACTIVE HELICASE

(Staphylococcus
aureus) 		PF06048
(DUF927) 		3 ALA A 227
VAL A 355
TRP A 163
 None
 0.78A 3l8lC-5dgkA:
undetectable
3l8lD-5dgkA:
undetectable		 3l8lC-5dgkA:
5.02
3l8lD-5dgkA:
4.63
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.
5djo KINESIN-LIKE PROTEIN

(Mus musculus) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		3 ALA A  89
VAL A  87
TRP A 148
 None
 0.79A 3l8lC-5djoA:
undetectable
3l8lD-5djoA:
undetectable		 3l8lC-5djoA:
11.83
3l8lD-5djoA:
12.90
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.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		3 ALA A  98
VAL A  92
TRP A  33
 None
 0.77A 3l8lC-5dnwA:
undetectable
3l8lD-5dnwA:
undetectable		 3l8lC-5dnwA:
5.21
3l8lD-5dnwA:
6.25
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		3 ALA A  77
VAL A  62
TRP A  75
 None
 0.84A 3l8lC-5fdaA:
undetectable
3l8lD-5fdaA:
undetectable		 3l8lC-5fdaA:
9.24
3l8lD-5fdaA:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN

(Snake
atadenovirus A) 		PF01696
(Adeno_E1B_55K) 		3 ALA A  53
VAL A  75
TRP A  57
 None
 0.73A 3l8lC-5g5nA:
undetectable
3l8lD-5g5nA:
undetectable		 3l8lC-5g5nA:
5.15
3l8lD-5g5nA:
5.88
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.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		3 ALA A 131
VAL A 127
TRP A 124
 None
 0.79A 3l8lC-5h3oA:
undetectable
3l8lD-5h3oA:
undetectable		 3l8lC-5h3oA:
1.76
3l8lD-5h3oA:
1.76
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.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		3 ALA A 100
VAL A  94
TRP A  35
 None
 0.86A 3l8lC-5hzgA:
undetectable
3l8lD-5hzgA:
undetectable		 3l8lC-5hzgA:
4.35
3l8lD-5hzgA:
4.35
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		3 ALA A 338
VAL A 336
TRP A 359
 None
 0.68A 3l8lC-5j44A:
undetectable
3l8lD-5j44A:
undetectable		 3l8lC-5j44A:
1.60
3l8lD-5j44A:
1.67
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.
5j8q CYSTEINE DESULFURASE
SUFS

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		3 ALA A 219
VAL A 196
TRP A 128
 None
 0.85A 3l8lC-5j8qA:
undetectable
3l8lD-5j8qA:
undetectable		 3l8lC-5j8qA:
3.38
3l8lD-5j8qA:
3.10
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 3 ALA A 557
VAL A 299
TRP A 300
 None
 0.84A 3l8lC-5lewA:
undetectable
3l8lD-5lewA:
undetectable		 3l8lC-5lewA:
1.83
3l8lD-5lewA:
1.83
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ALA A 430
VAL A 531
TRP A 420
 None
 0.82A 3l8lC-5lm8A:
undetectable
3l8lD-5lm8A:
undetectable		 3l8lC-5lm8A:
2.78
3l8lD-5lm8A:
2.78
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.
5ly3 ACTIN/ACTIN FAMILY
PROTEIN

(Pyrobaculum
calidifontis) 		PF00022
(Actin) 		3 ALA A 171
VAL A 407
TRP A 403
 None
 0.86A 3l8lC-5ly3A:
undetectable
3l8lD-5ly3A:
undetectable		 3l8lC-5ly3A:
3.57
3l8lD-5ly3A:
3.57
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.
5m3x ANGIOTENSINOGEN

(Homo sapiens) 		no annotation 3 ALA A  71
VAL A  73
TRP A 133
 None
 0.75A 3l8lC-5m3xA:
undetectable
3l8lD-5m3xA:
undetectable		 3l8lC-5m3xA:
undetectable
3l8lD-5m3xA:
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		3 ALA A 274
VAL A 270
TRP A 237
 None
 0.85A 3l8lC-5mdnA:
undetectable
3l8lD-5mdnA:
undetectable		 3l8lC-5mdnA:
1.80
3l8lD-5mdnA:
2.10
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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		3 ALA A 102
VAL A  97
TRP A  94
 None
 0.86A 3l8lC-5mscA:
undetectable
3l8lD-5mscA:
undetectable		 3l8lC-5mscA:
1.50
3l8lD-5mscA:
1.50
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 3 ALA A 188
VAL A 140
TRP A 144
 None
 0.83A 3l8lC-5nxyA:
undetectable
3l8lD-5nxyA:
undetectable		 3l8lC-5nxyA:
undetectable
3l8lD-5nxyA:
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.
5o84 GLUTATHIONE
S-TRANSFERASE U23

(Arabidopsis
thaliana) 		no annotation 3 ALA A  22
VAL A  28
TRP A  78
 None
 0.84A 3l8lC-5o84A:
undetectable
3l8lD-5o84A:
undetectable		 3l8lC-5o84A:
7.08
3l8lD-5o84A:
7.08
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		3 ALA A 347
VAL A 149
TRP A 401
 None
 0.62A 3l8lC-5svcA:
undetectable
3l8lD-5svcA:
undetectable		 3l8lC-5svcA:
3.16
3l8lD-5svcA:
3.41
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		3 ALA A  67
VAL A  65
TRP A  62
 None
 0.81A 3l8lC-5x5tA:
undetectable
3l8lD-5x5tA:
undetectable		 3l8lC-5x5tA:
4.08
3l8lD-5x5tA:
2.99
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.
5xea ENVELOPE
GLYCOPROTEIN

(Thogoto
thogotovirus) 		PF03273
(Baculo_gp64) 		3 ALA A 297
VAL A 295
TRP A 292
 None
 0.76A 3l8lC-5xeaA:
undetectable
3l8lD-5xeaA:
undetectable		 3l8lC-5xeaA:
4.35
3l8lD-5xeaA:
4.35
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.
5xxu RIBOSOMAL PROTEIN
ES19

(Toxoplasma
gondii) 		PF01090
(Ribosomal_S19e) 		3 ALA T  53
VAL T  50
TRP T  65
 None
A  21501 ( 4.5A)
None
 0.76A 3l8lC-5xxuT:
undetectable
3l8lD-5xxuT:
undetectable		 3l8lC-5xxuT:
12.73
3l8lD-5xxuT:
6.47
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.
6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		3 ALA B  83
VAL B  81
TRP A  86
 ALA  B  83 ( 0.0A)
VAL  B  81 ( 0.6A)
TRP  A  86 ( 0.5A)
 0.73A 3l8lC-6c0wB:
undetectable
3l8lD-6c0wB:
undetectable		 3l8lC-6c0wB:
undetectable
3l8lD-6c0wB:
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.
6cia ALDO/KETO REDUCTASE

(Klebsiella
pneumoniae) 		no annotation 3 ALA A  86
VAL A 124
TRP A 139
 None
 0.85A 3l8lC-6ciaA:
undetectable
3l8lD-6ciaA:
undetectable		 3l8lC-6ciaA:
undetectable
3l8lD-6ciaA:
undetectable