SIMILAR PATTERNS OF AMINO ACIDS FOR 1W5U_C_DVAC6

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
 0.85A 1w5uC-1ak0A:
undetectable
1w5uD-1ak0A:
undetectable		 1w5uC-1ak0A:
3.85
1w5uD-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 1w5uC-1b3bA:
undetectable
1w5uD-1b3bA:
undetectable		 1w5uC-1b3bA:
6.50
1w5uD-1b3bA:
6.50
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.
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
 0.85A 1w5uC-1ed3A:
undetectable
1w5uD-1ed3A:
undetectable		 1w5uC-1ed3A:
4.78
1w5uD-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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		3 ALA A 110
VAL A 104
TRP A  45
 None
 0.86A 1w5uC-1ehyA:
undetectable
1w5uD-1ehyA:
undetectable		 1w5uC-1ehyA:
5.65
1w5uD-1ehyA:
5.65
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.
1j5u ARCHEASE, POSSIBLE
CHAPERONE

(Thermotoga
maritima) 		PF01951
(Archease) 		3 ALA A  62
VAL A  67
TRP A  70
 None
 0.82A 1w5uC-1j5uA:
undetectable
1w5uD-1j5uA:
undetectable		 1w5uC-1j5uA:
5.88
1w5uD-1j5uA:
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.
1jyh DNA GYRASE
INHIBITORY PROTEIN

(Escherichia
coli) 		PF06445
(GyrI-like) 		3 ALA A  49
VAL A  69
TRP A  47
 None
 0.83A 1w5uC-1jyhA:
undetectable
1w5uD-1jyhA:
undetectable		 1w5uC-1jyhA:
9.45
1w5uD-1jyhA:
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.
1k8d QA-2 ANTIGEN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		3 ALA A 187
VAL A 189
TRP A 217
 None
 0.83A 1w5uC-1k8dA:
undetectable
1w5uD-1k8dA:
undetectable		 1w5uC-1k8dA:
4.40
1w5uD-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
 0.86A 1w5uC-1mhcA:
undetectable
1w5uD-1mhcA:
undetectable		 1w5uC-1mhcA:
4.78
1w5uD-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.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		3 ALA A  35
VAL A  49
TRP A  24
 None
 0.86A 1w5uC-1nd4A:
undetectable
1w5uD-1nd4A:
undetectable		 1w5uC-1nd4A:
5.86
1w5uD-1nd4A:
5.86
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.
1r2k MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Escherichia
coli) 		no annotation 3 ALA B  58
VAL B  60
TRP B  63
 None
 0.85A 1w5uC-1r2kB:
undetectable
1w5uD-1r2kB:
undetectable		 1w5uC-1r2kB:
6.59
1w5uD-1r2kB:
6.59
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.
1rbl RIBULOSE 1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E (LARGE CHAIN)

(Synechococcus
elongatus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ALA A  15
VAL A  17
TRP A  66
 None
 0.80A 1w5uC-1rblA:
undetectable
1w5uD-1rblA:
undetectable		 1w5uC-1rblA:
4.08
1w5uD-1rblA:
4.08
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.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		3 ALA A 129
VAL A 123
TRP A  51
 None
 0.73A 1w5uC-1sfrA:
undetectable
1w5uD-1sfrA:
undetectable		 1w5uC-1sfrA:
6.90
1w5uD-1sfrA:
6.90
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.
1sfs HYPOTHETICAL PROTEIN

(Geobacillus
stearothermophilus) 		PF08924
(DUF1906) 		3 ALA A 154
VAL A 158
TRP A 189
 None
 0.72A 1w5uC-1sfsA:
undetectable
1w5uD-1sfsA:
undetectable		 1w5uC-1sfsA:
7.59
1w5uD-1sfsA:
7.59
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.
1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		3 ALA A  99
VAL A  93
TRP A  34
 None
 0.81A 1w5uC-1womA:
undetectable
1w5uD-1womA:
undetectable		 1w5uC-1womA:
18.33
1w5uD-1womA:
18.33
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.
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
 0.64A 1w5uC-1xjeA:
undetectable
1w5uD-1xjeA:
undetectable		 1w5uC-1xjeA:
1.74
1w5uD-1xjeA:
1.74
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.
1yhu HEMOGLOBIN B1A CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		3 ALA C  24
VAL C  19
TRP C  16
 None
 0.75A 1w5uC-1yhuC:
undetectable
1w5uD-1yhuC:
undetectable		 1w5uC-1yhuC:
5.97
1w5uD-1yhuC:
5.97
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.
1z5z HELICASE OF THE
SNF2/RAD54 FAMILY

(Sulfolobus
solfataricus) 		PF00271
(Helicase_C) 		3 ALA A 809
VAL A 807
TRP A 828
 None
 0.63A 1w5uC-1z5zA:
undetectable
1w5uD-1z5zA:
undetectable		 1w5uC-1z5zA:
3.82
1w5uD-1z5zA:
3.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		3 ALA A 173
VAL A 165
TRP A 205
 None
 0.85A 1w5uC-2i4cA:
undetectable
1w5uD-2i4cA:
undetectable		 1w5uC-2i4cA:
4.14
1w5uD-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.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ALA A 374
VAL A 369
TRP A 402
 None
 0.87A 1w5uC-2nlxA:
undetectable
1w5uD-2nlxA:
undetectable		 1w5uC-2nlxA:
10.34
1w5uD-2nlxA:
10.34
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.
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 1w5uC-2o8pA:
undetectable
1w5uD-2o8pA:
undetectable		 1w5uC-2o8pA:
5.81
1w5uD-2o8pA:
5.81
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.
2owp HYPOTHETICAL PROTEIN
BXE_B1374

(Paraburkholderia
xenovorans) 		PF11533
(DUF3225) 		3 ALA A  10
VAL A  12
TRP A 115
 None
 0.85A 1w5uC-2owpA:
undetectable
1w5uD-2owpA:
undetectable		 1w5uC-2owpA:
7.69
1w5uD-2owpA:
7.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oz8 MLL7089 PROTEIN

(Mesorhizobium
japonicum) 		PF13378
(MR_MLE_C) 		3 ALA A 204
VAL A 209
TRP A 242
 None
 0.72A 1w5uC-2oz8A:
undetectable
1w5uD-2oz8A:
undetectable		 1w5uC-2oz8A:
4.78
1w5uD-2oz8A:
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.
2p9n ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1B

(Bos taurus) 		PF00400
(WD40) 		3 ALA C  76
VAL C  78
TRP C 104
 None
 0.68A 1w5uC-2p9nC:
undetectable
1w5uD-2p9nC:
undetectable		 1w5uC-2p9nC:
3.52
1w5uD-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.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		3 ALA A 123
VAL A 117
TRP A  60
 None
 0.85A 1w5uC-2psfA:
undetectable
1w5uD-2psfA:
undetectable		 1w5uC-2psfA:
4.62
1w5uD-2psfA:
4.62
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 ALA A 869
VAL A 864
TRP A 861
 None
 0.87A 1w5uC-2qf7A:
undetectable
1w5uD-2qf7A:
undetectable		 1w5uC-2qf7A:
2.25
1w5uD-2qf7A:
2.25
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.
2vak SIGMA A

(Avian
orthoreovirus) 		PF03084
(Sigma_1_2) 		3 ALA A  83
VAL A  85
TRP A 105
 None
 0.79A 1w5uC-2vakA:
undetectable
1w5uD-2vakA:
undetectable		 1w5uC-2vakA:
5.53
1w5uD-2vakA:
5.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpj KELCH-LIKE PROTEIN
12

(Homo sapiens) 		PF01344
(Kelch_1) 		3 ALA A 492
VAL A 478
TRP A 547
 None
 0.87A 1w5uC-2vpjA:
undetectable
1w5uD-2vpjA:
undetectable		 1w5uC-2vpjA:
4.61
1w5uD-2vpjA:
4.61
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.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		3 ALA A 117
VAL A 115
TRP A 112
 None
 0.87A 1w5uC-2w8qA:
undetectable
1w5uD-2w8qA:
undetectable		 1w5uC-2w8qA:
2.88
1w5uD-2w8qA:
2.88
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.
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
 0.84A 1w5uC-2x05A:
undetectable
1w5uD-2x05A:
undetectable		 1w5uC-2x05A:
1.74
1w5uD-2x05A:
1.74
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.
2yvh TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		3 ALA A  89
VAL A  92
TRP A  63
 None
 0.85A 1w5uC-2yvhA:
undetectable
1w5uD-2yvhA:
undetectable		 1w5uC-2yvhA:
9.65
1w5uD-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)
 0.81A 1w5uC-3ayfA:
undetectable
1w5uD-3ayfA:
undetectable		 1w5uC-3ayfA:
3.17
1w5uD-3ayfA:
3.17
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.
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
 0.81A 1w5uC-3b12A:
undetectable
1w5uD-3b12A:
undetectable		 1w5uC-3b12A:
4.66
1w5uD-3b12A:
4.66
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		3 ALA A 104
VAL A  59
TRP A  84
 None
 0.80A 1w5uC-3bexA:
undetectable
1w5uD-3bexA:
undetectable		 1w5uC-3bexA:
15.15
1w5uD-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.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		3 ALA C 234
VAL C 259
TRP C 257
 None
 0.83A 1w5uC-3degC:
undetectable
1w5uD-3degC:
undetectable		 1w5uC-3degC:
5.43
1w5uD-3degC:
5.43
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		3 ALA A 444
VAL A 475
TRP A 505
 None
 0.80A 1w5uC-3eqnA:
undetectable
1w5uD-3eqnA:
undetectable		 1w5uC-3eqnA:
2.74
1w5uD-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 1w5uC-3ewiA:
undetectable
1w5uD-3ewiA:
undetectable		 1w5uC-3ewiA:
12.50
1w5uD-3ewiA:
12.50
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.
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
 0.86A 1w5uC-3hjgA:
undetectable
1w5uD-3hjgA:
undetectable		 1w5uC-3hjgA:
8.51
1w5uD-3hjgA:
8.51
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.
3ibz PUTATIVE TELLURIUM
RESISTANT LIKE
PROTEIN TERD

(Streptomyces
coelicolor) 		PF02342
(TerD) 		3 ALA A 100
VAL A  98
TRP A 167
 None
 0.85A 1w5uC-3ibzA:
undetectable
1w5uD-3ibzA:
undetectable		 1w5uC-3ibzA:
6.55
1w5uD-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.
3ijl MUCONATE
CYCLOISOMERASE

(Bacteroides
thetaiotaomicron) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ALA A 317
VAL A 312
TRP A 309
 None
 0.82A 1w5uC-3ijlA:
undetectable
1w5uD-3ijlA:
undetectable		 1w5uC-3ijlA:
8.02
1w5uD-3ijlA:
8.02
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.
3k3d PROTEIN
RV1364C/MT1410

(Mycobacterium
tuberculosis) 		PF08448
(PAS_4) 		3 ALA A  13
VAL A  11
TRP A   7
 None
 0.82A 1w5uC-3k3dA:
undetectable
1w5uD-3k3dA:
undetectable		 1w5uC-3k3dA:
13.58
1w5uD-3k3dA:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		3 ALA A1422
VAL A1424
TRP A1547
 None
 0.75A 1w5uC-3k9bA:
undetectable
1w5uD-3k9bA:
undetectable		 1w5uC-3k9bA:
5.88
1w5uD-3k9bA:
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		3 ALA A 695
VAL A 698
TRP A 596
 None
 0.82A 1w5uC-3kflA:
undetectable
1w5uD-3kflA:
undetectable		 1w5uC-3kflA:
4.38
1w5uD-3kflA:
4.38
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		3 ALA A 131
VAL A 174
TRP A 104
 None
 0.82A 1w5uC-3lv4A:
undetectable
1w5uD-3lv4A:
undetectable		 1w5uC-3lv4A:
2.91
1w5uD-3lv4A:
2.91
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		3 ALA A 216
VAL A 168
TRP A 172
 None
 0.80A 1w5uC-3ppoA:
undetectable
1w5uD-3ppoA:
undetectable		 1w5uC-3ppoA:
5.46
1w5uD-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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		3 ALA B 791
VAL B 578
TRP B 757
 None
 0.85A 1w5uC-3prxB:
undetectable
1w5uD-3prxB:
undetectable		 1w5uC-3prxB:
1.67
1w5uD-3prxB:
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		3 ALA A 215
VAL A 194
TRP A 258
 None
 0.84A 1w5uC-3q9cA:
undetectable
1w5uD-3q9cA:
undetectable		 1w5uC-3q9cA:
2.68
1w5uD-3q9cA:
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.
3qom 6-PHOSPHO-BETA-GLUCO
SIDASE

(Lactobacillus
plantarum) 		PF00232
(Glyco_hydro_1) 		3 ALA A 475
VAL A 469
TRP A  14
 None
 0.87A 1w5uC-3qomA:
undetectable
1w5uD-3qomA:
undetectable		 1w5uC-3qomA:
3.12
1w5uD-3qomA:
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.
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
 0.79A 1w5uC-3s51A:
undetectable
1w5uD-3s51A:
undetectable		 1w5uC-3s51A:
1.35
1w5uD-3s51A:
1.35
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.
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
 0.80A 1w5uC-3sfzA:
undetectable
1w5uD-3sfzA:
undetectable		 1w5uC-3sfzA:
1.80
1w5uD-3sfzA:
1.80
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.
3uaj ENVELOPE PROTEIN

(Dengue virus) 		no annotation 3 ALA B  35
VAL B  15
TRP B  20
 None
 0.79A 1w5uC-3uajB:
undetectable
1w5uD-3uajB:
undetectable		 1w5uC-3uajB:
6.42
1w5uD-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 1w5uC-3v4hA:
undetectable
1w5uD-3v4hA:
undetectable		 1w5uC-3v4hA:
10.00
1w5uD-3v4hA:
10.00
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		3 ALA A1739
VAL A1716
TRP A1699
 None
 0.87A 1w5uC-4asiA:
undetectable
1w5uD-4asiA:
undetectable		 1w5uC-4asiA:
1.86
1w5uD-4asiA:
1.86
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.
4b3v E1 ENVELOPE
GLYCOPROTEIN

(Rubella virus) 		PF05748
(Rubella_E1) 		3 ALA A  24
VAL A  26
TRP A 167
 None
 0.87A 1w5uC-4b3vA:
undetectable
1w5uD-4b3vA:
undetectable		 1w5uC-4b3vA:
9.56
1w5uD-4b3vA:
9.56
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.
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)
 0.79A 1w5uC-4bj4A:
undetectable
1w5uD-4bj4A:
undetectable		 1w5uC-4bj4A:
7.48
1w5uD-4bj4A:
7.48
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.
4bvl PHB DEPOLYMERASE
PHAZ7

(Paucimonas
lemoignei) 		PF01674
(Lipase_2) 		3 ALA A 295
VAL A 244
TRP A 287
 None
 0.83A 1w5uC-4bvlA:
undetectable
1w5uD-4bvlA:
undetectable		 1w5uC-4bvlA:
4.98
1w5uD-4bvlA:
4.98
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		3 ALA A 230
VAL A 232
TRP A 172
 None
 0.82A 1w5uC-4c90A:
undetectable
1w5uD-4c90A:
undetectable		 1w5uC-4c90A:
3.20
1w5uD-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
 0.85A 1w5uC-4chbA:
undetectable
1w5uD-4chbA:
undetectable		 1w5uC-4chbA:
11.25
1w5uD-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)
 0.79A 1w5uC-4cotA:
undetectable
1w5uD-4cotA:
undetectable		 1w5uC-4cotA:
6.78
1w5uD-4cotA:
6.78
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.
4f53 SUSD HOMOLOG

(Bacteroides
ovatus) 		PF12741
(SusD-like) 		3 ALA A 202
VAL A  48
TRP A  45
 None
 0.86A 1w5uC-4f53A:
undetectable
1w5uD-4f53A:
undetectable		 1w5uC-4f53A:
2.62
1w5uD-4f53A:
2.62
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.
4jhy HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF14730
(DUF4468) 		3 ALA A 172
VAL A 174
TRP A  59
 None
 0.87A 1w5uC-4jhyA:
undetectable
1w5uD-4jhyA:
undetectable		 1w5uC-4jhyA:
6.25
1w5uD-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.
4jx6 PYRUVATE CARBOXYLASE

(Rhizobium etli) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		3 ALA A 869
VAL A 864
TRP A 861
 None
 0.87A 1w5uC-4jx6A:
undetectable
1w5uD-4jx6A:
undetectable		 1w5uC-4jx6A:
5.06
1w5uD-4jx6A:
5.06
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.
4jyp HYDROLASE,
ALPHA/BETA FOLD
FAMILY PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		3 ALA A  98
VAL A  92
TRP A  33
 None
 0.85A 1w5uC-4jypA:
undetectable
1w5uD-4jypA:
undetectable		 1w5uC-4jypA:
9.80
1w5uD-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.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ALA A  15
VAL A  17
TRP A  66
 None
 0.87A 1w5uC-4mkvA:
undetectable
1w5uD-4mkvA:
undetectable		 1w5uC-4mkvA:
3.79
1w5uD-4mkvA:
3.79
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 ALA A 328
VAL A 326
TRP A 351
 None
 0.44A 1w5uC-4om9A:
undetectable
1w5uD-4om9A:
undetectable		 1w5uC-4om9A:
1.65
1w5uD-4om9A:
1.65
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		3 ALA A 439
VAL A 441
TRP A 585
 None
 0.88A 1w5uC-4ox2A:
undetectable
1w5uD-4ox2A:
undetectable		 1w5uC-4ox2A:
9.16
1w5uD-4ox2A:
9.16
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.
4oxc E3 UBIQUITIN-PROTEIN
LIGASE XIAP

(Homo sapiens) 		PF00653
(BIR) 		3 ALA A  44
VAL A  42
TRP A  73
 None
 0.80A 1w5uC-4oxcA:
undetectable
1w5uD-4oxcA:
undetectable		 1w5uC-4oxcA:
6.31
1w5uD-4oxcA:
6.31
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		3 ALA A 144
VAL A  80
TRP A  76
 None
 0.63A 1w5uC-4qjyA:
undetectable
1w5uD-4qjyA:
undetectable		 1w5uC-4qjyA:
3.34
1w5uD-4qjyA:
3.34
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.
4qtt MULTIFUNCTIONAL
METHYLTRANSFERASE
SUBUNIT TRM112

(Saccharomyces
cerevisiae) 		PF03966
(Trm112p) 		3 ALA A  64
VAL A  59
TRP A  56
 None
 0.77A 1w5uC-4qttA:
undetectable
1w5uD-4qttA:
undetectable		 1w5uC-4qttA:
5.83
1w5uD-4qttA:
5.83
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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		3 ALA A 181
VAL A 179
TRP A  47
 None
 0.84A 1w5uC-4usrA:
undetectable
1w5uD-4usrA:
undetectable		 1w5uC-4usrA:
4.39
1w5uD-4usrA:
4.39
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.
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
 0.66A 1w5uC-4uuoA:
undetectable
1w5uD-4uuoA:
undetectable		 1w5uC-4uuoA:
6.80
1w5uD-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.
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		3 ALA A  72
VAL A  77
TRP A  83
 None
 0.85A 1w5uC-4xnvA:
undetectable
1w5uD-4xnvA:
undetectable		 1w5uC-4xnvA:
4.61
1w5uD-4xnvA:
4.61
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		3 ALA A 598
VAL A 593
TRP A 590
 None
 0.69A 1w5uC-4xwlA:
undetectable
1w5uD-4xwlA:
undetectable		 1w5uC-4xwlA:
2.84
1w5uD-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
 0.83A 1w5uC-4zfmA:
undetectable
1w5uD-4zfmA:
undetectable		 1w5uC-4zfmA:
2.93
1w5uD-4zfmA:
2.93
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.
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
 0.70A 1w5uC-5a7mA:
undetectable
1w5uD-5a7mA:
undetectable		 1w5uC-5a7mA:
1.95
1w5uD-5a7mA:
1.95
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.
5b3g PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		3 ALA B 393
VAL B 522
TRP B 234
 None
 0.60A 1w5uC-5b3gB:
undetectable
1w5uD-5b3gB:
undetectable		 1w5uC-5b3gB:
5.75
1w5uD-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
 0.63A 1w5uC-5b3hB:
undetectable
1w5uD-5b3hB:
undetectable		 1w5uC-5b3hB:
5.75
1w5uD-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.
5djo KINESIN-LIKE PROTEIN

(Mus musculus) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		3 ALA A  89
VAL A  87
TRP A 148
 None
 0.79A 1w5uC-5djoA:
undetectable
1w5uD-5djoA:
undetectable		 1w5uC-5djoA:
11.83
1w5uD-5djoA:
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.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		3 ALA A  98
VAL A  92
TRP A  33
 None
 0.76A 1w5uC-5dnwA:
undetectable
1w5uD-5dnwA:
undetectable		 1w5uC-5dnwA:
5.21
1w5uD-5dnwA:
5.21
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		3 ALA A  77
VAL A  62
TRP A  75
 None
 0.85A 1w5uC-5fdaA:
undetectable
1w5uD-5fdaA:
undetectable		 1w5uC-5fdaA:
9.24
1w5uD-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
 0.77A 1w5uC-5g5nA:
undetectable
1w5uD-5g5nA:
undetectable		 1w5uC-5g5nA:
5.15
1w5uD-5g5nA:
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		3 ALA A 277
VAL A 282
TRP A 285
 None
 0.84A 1w5uC-5gz4A:
undetectable
1w5uD-5gz4A:
undetectable		 1w5uC-5gz4A:
1.90
1w5uD-5gz4A:
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.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		3 ALA A 558
VAL A 553
TRP A 549
 None
 0.85A 1w5uC-5h8wA:
undetectable
1w5uD-5h8wA:
undetectable		 1w5uC-5h8wA:
4.35
1w5uD-5h8wA:
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.
5hb3 NUCLEOPORIN NIC96

(Chaetomium
thermophilum) 		PF04097
(Nic96) 		3 ALA A 508
VAL A 503
TRP A 500
 None
 0.86A 1w5uC-5hb3A:
undetectable
1w5uD-5hb3A:
undetectable		 1w5uC-5hb3A:
2.68
1w5uD-5hb3A:
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 3 ALA C 422
VAL C 424
TRP C 427
 None
 0.86A 1w5uC-5hr4C:
undetectable
1w5uD-5hr4C:
undetectable		 1w5uC-5hr4C:
2.72
1w5uD-5hr4C:
2.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		3 ALA A 100
VAL A  94
TRP A  35
 None
 0.83A 1w5uC-5hzgA:
undetectable
1w5uD-5hzgA:
undetectable		 1w5uC-5hzgA:
4.35
1w5uD-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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		3 ALA A 155
VAL A 160
TRP A  44
 None
 0.87A 1w5uC-5i8iA:
undetectable
1w5uD-5i8iA:
undetectable		 1w5uC-5i8iA:
0.95
1w5uD-5i8iA:
0.95
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		3 ALA A 338
VAL A 336
TRP A 359
 None
 0.82A 1w5uC-5j44A:
undetectable
1w5uD-5j44A:
undetectable		 1w5uC-5j44A:
1.60
1w5uD-5j44A:
1.60
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.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		3 ALA A  84
VAL A  82
TRP A  93
 None
 0.86A 1w5uC-5l9sA:
undetectable
1w5uD-5l9sA:
undetectable		 1w5uC-5l9sA:
4.09
1w5uD-5l9sA:
4.09
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 3 ALA A 789
VAL A 794
TRP A 797
 None
 0.88A 1w5uC-5lewA:
undetectable
1w5uD-5lewA:
undetectable		 1w5uC-5lewA:
1.83
1w5uD-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
 0.88A 1w5uC-5lm8A:
undetectable
1w5uD-5lm8A:
undetectable		 1w5uC-5lm8A:
2.78
1w5uD-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.
5m3x ANGIOTENSINOGEN

(Homo sapiens) 		no annotation 3 ALA A  71
VAL A  73
TRP A 133
 None
 0.75A 1w5uC-5m3xA:
undetectable
1w5uD-5m3xA:
undetectable		 1w5uC-5m3xA:
undetectable
1w5uD-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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		3 ALA A 102
VAL A  97
TRP A  94
 None
 0.78A 1w5uC-5mscA:
undetectable
1w5uD-5mscA:
undetectable		 1w5uC-5mscA:
1.50
1w5uD-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.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Rhodobacter
sphaeroides) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ALA A  16
VAL A  18
TRP A  68
 None
 0.83A 1w5uC-5nv3A:
undetectable
1w5uD-5nv3A:
undetectable		 1w5uC-5nv3A:
3.90
1w5uD-5nv3A:
3.90
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.
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
 0.81A 1w5uC-5nxyA:
undetectable
1w5uD-5nxyA:
undetectable		 1w5uC-5nxyA:
undetectable
1w5uD-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.
5uv2 (+)-LIMONENE
SYNTHASE

(Citrus sinensis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		3 ALA A 370
VAL A 362
TRP A 365
 None
 0.88A 1w5uC-5uv2A:
undetectable
1w5uD-5uv2A:
undetectable		 1w5uC-5uv2A:
4.76
1w5uD-5uv2A:
4.76
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.
5xea ENVELOPE
GLYCOPROTEIN

(Thogoto
thogotovirus) 		PF03273
(Baculo_gp64) 		3 ALA A 297
VAL A 295
TRP A 292
 None
 0.81A 1w5uC-5xeaA:
undetectable
1w5uD-5xeaA:
undetectable		 1w5uC-5xeaA:
4.35
1w5uD-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
 0.81A 1w5uC-5xxuT:
undetectable
1w5uD-5xxuT:
undetectable		 1w5uC-5xxuT:
12.73
1w5uD-5xxuT:
12.73
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.
6ax6 PROCOLLAGEN LYSYL
HYDROXYLASE AND
GLYCOSYLTRANSFERASE

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 3 ALA A 791
VAL A 785
TRP A 782
 IOD  A 902 ( 3.9A)
None
None
 0.87A 1w5uC-6ax6A:
undetectable
1w5uD-6ax6A:
undetectable		 1w5uC-6ax6A:
undetectable
1w5uD-6ax6A:
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.
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)
 0.78A 1w5uC-6c0wB:
undetectable
1w5uD-6c0wB:
undetectable		 1w5uC-6c0wB:
undetectable
1w5uD-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
 0.80A 1w5uC-6ciaA:
undetectable
1w5uD-6ciaA:
undetectable		 1w5uC-6ciaA:
undetectable
1w5uD-6ciaA:
undetectable