SIMILAR PATTERNS OF AMINO ACIDS FOR 6BPL_B_PA1B605

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.
1h31 DIHEME CYTOCHROME C

(Rhodovulum
sulfidophilum) 		no annotation 3 ARG A 224
ARG A 211
ARG A 218
 None
None
HEC  A1263 ( 3.6A)
 1.05A 6bplA-1h31A:
undetectable
6bplB-1h31A:
undetectable		 6bplA-1h31A:
16.22
6bplB-1h31A:
16.22
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.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		3 ARG A 113
ARG A 259
ARG A 311
 AMP  A 451 ( 2.3A)
AMP  A 451 ( 3.3A)
AMP  A 451 ( 3.9A)
 0.99A 6bplA-1httA:
undetectable
6bplB-1httA:
undetectable		 6bplA-1httA:
11.58
6bplB-1httA:
11.58
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.
1iwa RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Galdieria
partita) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ARG A 159
ARG A 431
ARG A 167
 None
 0.98A 6bplA-1iwaA:
0.4
6bplB-1iwaA:
0.6		 6bplA-1iwaA:
10.37
6bplB-1iwaA:
10.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mq8 INTERCELLULAR
ADHESION MOLECULE-1

(Homo sapiens) 		PF03921
(ICAM_N) 		3 ARG A 132
ARG A 166
ARG A 160
 None
 1.02A 6bplA-1mq8A:
undetectable
6bplB-1mq8A:
undetectable		 6bplA-1mq8A:
14.88
6bplB-1mq8A:
14.88
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.
1n0s BILIN-BINDING
PROTEIN

(Pieris
brassicae) 		PF00061
(Lipocalin) 		3 ARG A  58
ARG A 116
ARG A  88
 FLU  A 500 (-3.6A)
None
None
 1.08A 6bplA-1n0sA:
undetectable
6bplB-1n0sA:
undetectable		 6bplA-1n0sA:
18.30
6bplB-1n0sA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n7g GDP-D-MANNOSE-4,6-DE
HYDRATASE

(Arabidopsis
thaliana) 		PF16363
(GDP_Man_Dehyd) 		3 ARG A 314
ARG A 220
ARG A 253
 GDR  A 801 (-3.3A)
GDR  A 801 ( 2.6A)
GDR  A 801 (-3.4A)
 1.04A 6bplA-1n7gA:
undetectable
6bplB-1n7gA:
undetectable		 6bplA-1n7gA:
12.00
6bplB-1n7gA:
12.00
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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		3 ARG A 536
ARG A 424
ARG A  90
 None
 1.05A 6bplA-1p49A:
4.5
6bplB-1p49A:
undetectable		 6bplA-1p49A:
9.93
6bplB-1p49A:
9.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhb HALOPEROXIDASE

(Corallina
officinalis) 		PF01569
(PAP2) 		3 ARG A 395
ARG A 121
ARG A 406
 None
None
PO4  A3000 ( 2.7A)
 1.05A 6bplA-1qhbA:
undetectable
6bplB-1qhbA:
undetectable		 6bplA-1qhbA:
9.71
6bplB-1qhbA:
9.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		3 ARG A 247
ARG A 126
ARG A 133
 None
PEP  A8002 (-3.2A)
E4P  A8003 (-4.1A)
 1.08A 6bplA-1rzmA:
undetectable
6bplB-1rzmA:
0.8		 6bplA-1rzmA:
16.85
6bplB-1rzmA:
16.85
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.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		3 ARG A 247
ARG A 126
ARG A 237
 None
PEP  A8002 (-3.2A)
PEP  A8002 (-3.9A)
 1.09A 6bplA-1rzmA:
undetectable
6bplB-1rzmA:
0.8		 6bplA-1rzmA:
16.85
6bplB-1rzmA:
16.85
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.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		3 ARG A 266
ARG A 333
ARG A 276
 None
 0.92A 6bplA-1s1fA:
undetectable
6bplB-1s1fA:
undetectable		 6bplA-1s1fA:
12.28
6bplB-1s1fA:
12.28
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.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		3 ARG A  62
ARG A 136
ARG A 101
 None
None
FE  A 321 ( 4.2A)
 1.08A 6bplA-1si1A:
undetectable
6bplB-1si1A:
undetectable		 6bplA-1si1A:
14.18
6bplB-1si1A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		3 ARG A 179
ARG A 101
ARG A 136
 None
FE  A 321 ( 4.2A)
None
 1.10A 6bplA-1si1A:
undetectable
6bplB-1si1A:
undetectable		 6bplA-1si1A:
14.18
6bplB-1si1A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1svd RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ARG A 152
ARG A 424
ARG A 160
 None
 0.91A 6bplA-1svdA:
undetectable
6bplB-1svdA:
undetectable		 6bplA-1svdA:
11.06
6bplB-1svdA:
11.06
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.
1szp DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		3 ARG A 368
ARG A 228
ARG A 188
 None
 0.87A 6bplA-1szpA:
7.4
6bplB-1szpA:
7.9		 6bplA-1szpA:
14.74
6bplB-1szpA:
14.74
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.
1vft ALANINE RACEMASE

(Streptomyces
lavendulae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 ARG A  80
ARG A 122
ARG A  73
 None
 0.80A 6bplA-1vftA:
undetectable
6bplB-1vftA:
undetectable		 6bplA-1vftA:
12.63
6bplB-1vftA:
12.63
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.
1vpa 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Thermotoga
maritima) 		PF01128
(IspD) 		3 ARG A 105
ARG A  14
ARG A  79
 None
ACY  A 700 ( 3.1A)
None
 0.82A 6bplA-1vpaA:
undetectable
6bplB-1vpaA:
undetectable		 6bplA-1vpaA:
15.04
6bplB-1vpaA:
15.04
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.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		3 ARG A 213
ARG A 683
ARG A 677
 None
 1.09A 6bplA-1w8jA:
1.1
6bplB-1w8jA:
undetectable		 6bplA-1w8jA:
6.82
6bplB-1w8jA:
6.82
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.
1y9u PUTATIVE IRON
BINDING PROTEIN

(Bordetella
pertussis) 		PF13343
(SBP_bac_6) 		3 ARG A 180
ARG A 105
ARG A 137
 None
 0.89A 6bplA-1y9uA:
undetectable
6bplB-1y9uA:
undetectable		 6bplA-1y9uA:
21.47
6bplB-1y9uA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ast CYCLIN-DEPENDENT
KINASES REGULATORY
SUBUNIT 1

(Homo sapiens) 		PF01111
(CKS) 		3 ARG C3071
ARG C3044
ARG C3020
 None
 0.96A 6bplA-2astC:
undetectable
6bplB-2astC:
undetectable		 6bplA-2astC:
15.00
6bplB-2astC:
15.00
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.
2bco SUCCINYLGLUTAMATE
DESUCCINYLASE

(Vibrio
parahaemolyticus) 		PF04952
(AstE_AspA) 		3 ARG A 106
ARG A 322
ARG A 159
 None
 1.01A 6bplA-2bcoA:
undetectable
6bplB-2bcoA:
undetectable		 6bplA-2bcoA:
15.22
6bplB-2bcoA:
15.22
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.
2c2y METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE-METHEN
YLTETRAHYDROFOLATE
CYCLOHYDROLASE

(Mycobacterium
tuberculosis) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		3 ARG A 143
ARG A  22
ARG A 280
 None
 1.02A 6bplA-2c2yA:
undetectable
6bplB-2c2yA:
undetectable		 6bplA-2c2yA:
19.90
6bplB-2c2yA:
19.90
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.
2es4 LIPASE CHAPERONE

(Burkholderia
glumae) 		PF03280
(Lipase_chap) 		3 ARG D  86
ARG D 165
ARG D 187
 None
 1.08A 6bplA-2es4D:
undetectable
6bplB-2es4D:
3.4		 6bplA-2es4D:
12.73
6bplB-2es4D:
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.
2fzv PUTATIVE ARSENICAL
RESISTANCE PROTEIN

(Shigella
flexneri) 		PF03358
(FMN_red) 		3 ARG A  47
ARG A  59
ARG A  51
 None
 1.06A 6bplA-2fzvA:
undetectable
6bplB-2fzvA:
undetectable		 6bplA-2fzvA:
14.29
6bplB-2fzvA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		3 ARG A 400
ARG A 372
ARG A 348
 BOG  A2000 (-3.1A)
None
BOG  A2000 (-3.9A)
 0.89A 6bplA-2g3nA:
undetectable
6bplB-2g3nA:
undetectable		 6bplA-2g3nA:
8.21
6bplB-2g3nA:
8.21
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.
2gfg BH2851

(Bacillus
halodurans) 		PF01928
(CYTH) 		3 ARG A 125
ARG A 184
ARG A  55
 UNL  A 500 (-3.6A)
EDO  A 503 (-4.2A)
UNL  A 500 (-3.5A)
 0.90A 6bplA-2gfgA:
undetectable
6bplB-2gfgA:
undetectable		 6bplA-2gfgA:
18.72
6bplB-2gfgA:
18.72
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		3 ARG A 296
ARG A 205
ARG A 391
 None
 0.78A 6bplA-2imrA:
undetectable
6bplB-2imrA:
1.6		 6bplA-2imrA:
11.65
6bplB-2imrA:
11.65
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.
2lqn CRK-LIKE PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07653
(SH3_2) 		3 ARG A 164
ARG A  21
ARG A  57
 None
 0.90A 6bplA-2lqnA:
undetectable
6bplB-2lqnA:
undetectable		 6bplA-2lqnA:
14.19
6bplB-2lqnA:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2or0 HYDROXYLASE

(Rhodococcus
jostii) 		PF08028
(Acyl-CoA_dh_2) 		3 ARG A  27
ARG A  37
ARG A 168
 None
 1.01A 6bplA-2or0A:
3.9
6bplB-2or0A:
undetectable		 6bplA-2or0A:
10.19
6bplB-2or0A:
10.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pod MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME

(Burkholderia
pseudomallei) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 157
ARG A 348
ARG A 147
 None
 0.99A 6bplA-2podA:
undetectable
6bplB-2podA:
undetectable		 6bplA-2podA:
13.12
6bplB-2podA:
13.12
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.
2qtk PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		3 ARG A 381
ARG A 324
ARG A 363
 None
 0.80A 6bplA-2qtkA:
undetectable
6bplB-2qtkA:
undetectable		 6bplA-2qtkA:
12.26
6bplB-2qtkA:
12.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		3 ARG A 133
ARG A  33
ARG A  84
 None
 0.77A 6bplA-2x58A:
undetectable
6bplB-2x58A:
undetectable		 6bplA-2x58A:
8.52
6bplB-2x58A:
8.52
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.
2y4f PEROXIDASE YCDB

(Escherichia
coli) 		PF04261
(Dyp_perox) 		3 ARG A 301
ARG A 312
ARG A 261
 HEM  A 389 (-3.6A)
HEM  A 389 (-2.8A)
None
 0.95A 6bplA-2y4fA:
undetectable
6bplB-2y4fA:
undetectable		 6bplA-2y4fA:
11.70
6bplB-2y4fA:
11.70
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.
2ymv ACG NITROREDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 3 ARG A 125
ARG A 317
ARG A 122
 FNR  A1330 (-3.8A)
FNR  A1330 (-3.2A)
None
 0.98A 6bplA-2ymvA:
undetectable
6bplB-2ymvA:
undetectable		 6bplA-2ymvA:
15.52
6bplB-2ymvA:
15.52
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		3 ARG A   9
ARG A 398
ARG A 449
 None
 1.06A 6bplA-2z5lA:
undetectable
6bplB-2z5lA:
undetectable		 6bplA-2z5lA:
9.35
6bplB-2z5lA:
9.35
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.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ARG A 313
ARG A 544
ARG A 122
 None
 1.09A 6bplA-3b96A:
undetectable
6bplB-3b96A:
undetectable		 6bplA-3b96A:
8.15
6bplB-3b96A:
8.15
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		3 ARG X 183
ARG X 105
ARG X 140
 None
FE  X 326 ( 3.9A)
None
 1.03A 6bplA-3e13X:
undetectable
6bplB-3e13X:
undetectable		 6bplA-3e13X:
12.59
6bplB-3e13X:
12.59
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.
3e4w PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00199
(Catalase) 		3 ARG A 274
ARG A 301
ARG A 261
 None
HEM  A 501 (-3.8A)
None
 1.05A 6bplA-3e4wA:
undetectable
6bplB-3e4wA:
undetectable		 6bplA-3e4wA:
13.65
6bplB-3e4wA:
13.65
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.
3gb4 DDMC

(Stenotrophomonas
maltophilia) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		3 ARG A 283
ARG A 130
ARG A 136
 None
 0.97A 6bplA-3gb4A:
undetectable
6bplB-3gb4A:
undetectable		 6bplA-3gb4A:
12.39
6bplB-3gb4A:
12.39
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		3 ARG A 377
ARG A 251
ARG A 282
 None
 1.02A 6bplA-3hutA:
undetectable
6bplB-3hutA:
undetectable		 6bplA-3hutA:
13.95
6bplB-3hutA:
13.95
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		3 ARG A 292
ARG A 259
ARG A 226
 None
 0.98A 6bplA-3lv4A:
undetectable
6bplB-3lv4A:
undetectable		 6bplA-3lv4A:
13.02
6bplB-3lv4A:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		3 ARG X 838
ARG X 307
ARG X 921
 None
 1.05A 6bplA-3lxuX:
2.2
6bplB-3lxuX:
3.8		 6bplA-3lxuX:
4.52
6bplB-3lxuX:
4.52
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.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ARG A 314
ARG A 393
ARG A 323
 None
 0.95A 6bplA-3mdeA:
3.9
6bplB-3mdeA:
2.4		 6bplA-3mdeA:
10.70
6bplB-3mdeA:
10.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mqo TRANSCRIPTIONAL
REGULATOR, LUXR
FAMILY

(Burkholderia
thailandensis) 		PF13426
(PAS_9) 		3 ARG A  79
ARG A  23
ARG A  60
 IPA  A   1 ( 4.9A)
IPA  A   1 ( 3.8A)
None
 1.10A 6bplA-3mqoA:
undetectable
6bplB-3mqoA:
undetectable		 6bplA-3mqoA:
19.51
6bplB-3mqoA:
19.51
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		3 ARG A 424
ARG A 246
ARG A 253
 PO4  A 767 (-2.9A)
ATP  A 765 (-3.6A)
None
 0.81A 6bplA-3o8lA:
undetectable
6bplB-3o8lA:
undetectable		 6bplA-3o8lA:
7.16
6bplB-3o8lA:
7.16
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		3 ARG A 344
ARG A  93
ARG A  82
 AUC  A 607 (-3.3A)
None
MLI  A 901 (-2.8A)
 1.07A 6bplA-3odmA:
2.3
6bplB-3odmA:
undetectable		 6bplA-3odmA:
10.42
6bplB-3odmA:
10.42
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		3 ARG A 390
ARG A  93
ARG A  82
 AUC  A 607 ( 4.5A)
None
MLI  A 901 (-2.8A)
 1.03A 6bplA-3odmA:
2.3
6bplB-3odmA:
undetectable		 6bplA-3odmA:
10.42
6bplB-3odmA:
10.42
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		3 ARG A  70
ARG A  58
ARG A 332
 None
 0.90A 6bplA-3otxA:
undetectable
6bplB-3otxA:
undetectable		 6bplA-3otxA:
12.06
6bplB-3otxA:
12.06
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.
3qy2 CYCLIN-DEPENDENT
KINASES REGULATORY
SUBUNIT

(Saccharomyces
cerevisiae) 		PF01111
(CKS) 		3 ARG A 102
ARG A  75
ARG A  42
 None
 0.91A 6bplA-3qy2A:
undetectable
6bplB-3qy2A:
undetectable		 6bplA-3qy2A:
22.61
6bplB-3qy2A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r18 SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 ARG A 195
ARG A 355
ARG A 189
 None
 0.94A 6bplA-3r18A:
undetectable
6bplB-3r18A:
undetectable		 6bplA-3r18A:
10.00
6bplB-3r18A:
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ARG A 132
ARG A 899
ARG A  93
 None
 1.10A 6bplA-3v8xA:
undetectable
6bplB-3v8xA:
undetectable		 6bplA-3v8xA:
6.58
6bplB-3v8xA:
6.58
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.
3wfp POLY A POLYMERASE

(Aquifex
aeolicus;
synthetic
construct) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		3 ARG A 188
ARG A 110
ARG A 222
 SO4  A1001 (-3.6A)
None
None
 1.10A 6bplA-3wfpA:
undetectable
6bplB-3wfpA:
undetectable		 6bplA-3wfpA:
14.08
6bplB-3wfpA:
14.08
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.
3wi5 MAJOR OUTER MEMBRANE
PROTEIN P.IB

(Neisseria
meningitidis) 		PF00267
(Porin_1) 		3 ARG A 310
ARG A 240
ARG A 247
 None
 1.08A 6bplA-3wi5A:
undetectable
6bplB-3wi5A:
undetectable		 6bplA-3wi5A:
15.15
6bplB-3wi5A:
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.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 3 ARG A 174
ARG A 146
ARG A 244
 None
 0.76A 6bplA-3wvrA:
undetectable
6bplB-3wvrA:
undetectable		 6bplA-3wvrA:
13.25
6bplB-3wvrA:
13.25
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		3 ARG A 223
ARG A 372
ARG A 294
 ACP  A1589 (-3.5A)
None
ACP  A1589 (-3.2A)
 0.97A 6bplA-4amfA:
undetectable
6bplB-4amfA:
undetectable		 6bplA-4amfA:
9.79
6bplB-4amfA:
9.79
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		3 ARG A 754
ARG A 261
ARG A 685
 None
 1.02A 6bplA-4b9yA:
undetectable
6bplB-4b9yA:
undetectable		 6bplA-4b9yA:
6.56
6bplB-4b9yA:
6.56
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.
4buj ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT) 		3 ARG A 425
ARG A 805
ARG A 454
 None
 1.03A 6bplA-4bujA:
2.2
6bplB-4bujA:
3.4		 6bplA-4bujA:
6.58
6bplB-4bujA:
6.58
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.
4cw5 DFNA

(Bacillus
velezensis) 		PF03060
(NMO) 		3 ARG A 687
ARG A 656
ARG A 645
 None
 0.99A 6bplA-4cw5A:
undetectable
6bplB-4cw5A:
undetectable		 6bplA-4cw5A:
11.95
6bplB-4cw5A:
11.95
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.
4hn8 D-GLUCARATE
DEHYDRATASE

(Pseudomonas
mendocina) 		PF13378
(MR_MLE_C) 		3 ARG A 248
ARG A 161
ARG A 378
 None
 1.10A 6bplA-4hn8A:
undetectable
6bplB-4hn8A:
undetectable		 6bplA-4hn8A:
10.99
6bplB-4hn8A:
10.99
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE ALPHA CHAIN
GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		3 ARG B 244
ARG A 174
ARG B 202
 None
 1.10A 6bplA-4hstB:
undetectable
6bplB-4hstB:
undetectable		 6bplA-4hstB:
9.96
6bplB-4hstB:
9.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ieg RNA-DEPENDENT RNA
POLYMERASE P2

(Pseudomonas
phage phi12) 		no annotation 3 ARG A 526
ARG A 623
ARG A 533
 None
 1.06A 6bplA-4iegA:
undetectable
6bplB-4iegA:
undetectable		 6bplA-4iegA:
8.86
6bplB-4iegA:
8.86
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.
4j7q PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
PDR16

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		3 ARG A 115
ARG A 183
ARG A 236
 None
 1.07A 6bplA-4j7qA:
undetectable
6bplB-4j7qA:
undetectable		 6bplA-4j7qA:
13.89
6bplB-4j7qA:
13.89
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.
4kbm DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycobacterium
tuberculosis) 		PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1) 		3 ARG A 373
ARG A 222
ARG A 384
 None
 1.06A 6bplA-4kbmA:
undetectable
6bplB-4kbmA:
undetectable		 6bplA-4kbmA:
12.32
6bplB-4kbmA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ks9 MALONYL-COA
DECARBOXYLASE

(Cupriavidus
metallidurans) 		PF05292
(MCD)
PF17408
(MCD_N) 		3 ARG A 398
ARG A 353
ARG A 347
 None
 0.96A 6bplA-4ks9A:
2.6
6bplB-4ks9A:
undetectable		 6bplA-4ks9A:
10.51
6bplB-4ks9A:
10.51
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 ARG B 380
ARG B  89
ARG B 372
 None
 0.97A 6bplA-4l37B:
undetectable
6bplB-4l37B:
undetectable		 6bplA-4l37B:
8.50
6bplB-4l37B:
8.50
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 ARG A 377
ARG A  86
ARG A 369
 None
 0.97A 6bplA-4l37A:
2.1
6bplB-4l37A:
undetectable		 6bplA-4l37A:
6.87
6bplB-4l37A:
6.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mkv RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Pisum sativum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		3 ARG A 159
ARG A 431
ARG A 167
 None
 0.98A 6bplA-4mkvA:
undetectable
6bplB-4mkvA:
undetectable		 6bplA-4mkvA:
10.79
6bplB-4mkvA:
10.79
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase)
PF02934
(GatB_N) 		3 ARG B 105
ARG A 176
ARG A 299
 None
 0.95A 6bplA-4n0iB:
undetectable
6bplB-4n0iB:
undetectable		 6bplA-4n0iB:
11.76
6bplB-4n0iB:
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.
4p69 ISOCITRATE
DEHYDROGENASE
KINASE/PHOSPHATASE

(Escherichia
coli) 		PF06315
(AceK) 		3 ARG A 203
ARG A 470
ARG A 365
 None
 1.02A 6bplA-4p69A:
undetectable
6bplB-4p69A:
undetectable		 6bplA-4p69A:
10.39
6bplB-4p69A:
10.39
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ARG A 153
ARG A 197
ARG A 191
 2PG  A 603 (-3.8A)
None
2PG  A 603 (-3.3A)
 1.01A 6bplA-4qaxA:
undetectable
6bplB-4qaxA:
undetectable		 6bplA-4qaxA:
9.59
6bplB-4qaxA:
9.59
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		3 ARG A 260
ARG A 486
ARG A 579
 None
 0.90A 6bplA-4rasA:
undetectable
6bplB-4rasA:
undetectable		 6bplA-4rasA:
8.75
6bplB-4rasA:
8.75
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.
4uzs BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		3 ARG A 176
ARG A 215
ARG A 126
 None
GOL  A 711 (-3.9A)
None
 0.99A 6bplA-4uzsA:
undetectable
6bplB-4uzsA:
undetectable		 6bplA-4uzsA:
8.12
6bplB-4uzsA:
8.12
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.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		3 ARG A 355
ARG A 419
ARG A 391
 None
 0.81A 6bplA-4zmhA:
3.0
6bplB-4zmhA:
undetectable		 6bplA-4zmhA:
6.44
6bplB-4zmhA:
6.44
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.
5cw9 DE NOVO DESIGNED
FERREDOXIN-FERREDOXI
N DOMAIN INSERTION
PROTEIN

(synthetic
construct) 		no annotation 3 ARG A   8
ARG A  79
ARG A   6
 None
 0.99A 6bplA-5cw9A:
undetectable
6bplB-5cw9A:
undetectable		 6bplA-5cw9A:
20.29
6bplB-5cw9A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 3 ARG B  27
ARG B 566
ARG B 648
 None
 1.09A 6bplA-5cyrB:
undetectable
6bplB-5cyrB:
undetectable		 6bplA-5cyrB:
9.02
6bplB-5cyrB:
9.02
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.
5dl7 PORIN

(Acinetobacter
baumannii) 		PF03573
(OprD) 		3 ARG A 374
ARG A  13
ARG A 125
 None
 0.99A 6bplA-5dl7A:
undetectable
6bplB-5dl7A:
undetectable		 6bplA-5dl7A:
12.68
6bplB-5dl7A:
12.68
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.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		3 ARG A 163
ARG A  63
ARG A  58
 G5A  A 300 (-4.0A)
None
G5A  A 300 (-3.1A)
 1.08A 6bplA-5f5wA:
2.1
6bplB-5f5wA:
undetectable		 6bplA-5f5wA:
14.81
6bplB-5f5wA:
14.81
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.
5i47 RIMK DOMAIN PROTEIN
ATP-GRASP

(Sphaerobacter
thermophilus) 		PF08443
(RimK) 		3 ARG A  55
ARG A 179
ARG A 255
 None
 1.09A 6bplA-5i47A:
undetectable
6bplB-5i47A:
undetectable		 6bplA-5i47A:
15.87
6bplB-5i47A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ik2 ATP SYNTHASE EPSILON
CHAIN

(Caldalkalibacillus
thermarum) 		PF02823
(ATP-synt_DE_N) 		3 ARG H 116
ARG H 106
ARG H  99
 None
 0.88A 6bplA-5ik2H:
4.1
6bplB-5ik2H:
5.0		 6bplA-5ik2H:
21.58
6bplB-5ik2H:
21.58
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		3 ARG A 567
ARG A 136
ARG A  97
 None
 0.97A 6bplA-5jxrA:
1.8
6bplB-5jxrA:
2.9		 6bplA-5jxrA:
8.61
6bplB-5jxrA:
8.61
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.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		3 ARG A 213
ARG A 268
ARG A 237
 None
 1.10A 6bplA-5kh0A:
undetectable
6bplB-5kh0A:
2.5		 6bplA-5kh0A:
14.29
6bplB-5kh0A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		3 ARG A 118
ARG A 610
ARG A 218
 None
 0.84A 6bplA-5kqiA:
2.8
6bplB-5kqiA:
undetectable		 6bplA-5kqiA:
7.30
6bplB-5kqiA:
7.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m22 HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 3 ARG B  71
ARG B 312
ARG B 166
 None
 1.06A 6bplA-5m22B:
undetectable
6bplB-5m22B:
undetectable		 6bplA-5m22B:
14.24
6bplB-5m22B:
14.24
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.
5mw7 PROTEIN JAGGED-2

(Homo sapiens) 		PF00008
(EGF)
PF01414
(DSL)
PF07657
(MNNL) 		3 ARG A 195
ARG A 116
ARG A 114
 None
 1.10A 6bplA-5mw7A:
undetectable
6bplB-5mw7A:
undetectable		 6bplA-5mw7A:
12.97
6bplB-5mw7A:
12.97
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 3 ARG A 447
ARG A 720
ARG A 201
 O  A2003 ( 4.5A)
MGD  A2001 ( 3.3A)
None
 1.07A 6bplA-5nqdA:
undetectable
6bplB-5nqdA:
undetectable		 6bplA-5nqdA:
18.09
6bplB-5nqdA:
18.09
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.
5och -

(-) 		no annotation 3 ARG B 329
ARG B 321
ARG B 367
 None
 1.08A 6bplA-5ochB:
27.8
6bplB-5ochB:
22.5		 6bplA-5ochB:
undetectable
6bplB-5ochB:
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.
5opt 40S RIBOSOMAL
PROTEIN S10,
PUTATIVE
40S RIBOSOMAL
PROTEIN S12

(Trypanosoma
cruzi) 		no annotation 3 ARG i  52
ARG i 124
ARG n   8
 C  E1722 ( 2.9A)
None
G  E1723 ( 3.4A)
 0.90A 6bplA-5opti:
undetectable
6bplB-5opti:
undetectable		 6bplA-5opti:
22.14
6bplB-5opti:
22.14
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.
5u63 THIOREDOXIN
REDUCTASE

(Haemophilus
influenzae) 		PF07992
(Pyr_redox_2) 		3 ARG A 118
ARG A 182
ARG A 177
 NAP  A 407 (-3.8A)
NAP  A 407 ( 3.1A)
NAP  A 407 ( 3.5A)
 0.81A 6bplA-5u63A:
undetectable
6bplB-5u63A:
undetectable		 6bplA-5u63A:
16.67
6bplB-5u63A:
16.67
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.
5uzh NAFOA.00085.B

(Naegleria
fowleri) 		PF16363
(GDP_Man_Dehyd) 		3 ARG A 334
ARG A 223
ARG A 256
 GDP  A 401 (-3.1A)
NAP  A 402 (-3.3A)
GDP  A 401 (-3.4A)
 0.97A 6bplA-5uzhA:
undetectable
6bplB-5uzhA:
undetectable		 6bplA-5uzhA:
13.04
6bplB-5uzhA:
13.04
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.
5vew GLUCAGON-LIKE
PEPTIDE 1
RECEPTOR,ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme) 		3 ARG A 348
ARG A1095
ARG A 176
 None
 1.08A 6bplA-5vewA:
3.6
6bplB-5vewA:
3.7		 6bplA-5vewA:
11.87
6bplB-5vewA:
11.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		3 ARG A 158
ARG A 219
ARG A 112
 None
 1.03A 6bplA-5wzrA:
undetectable
6bplB-5wzrA:
1.9		 6bplA-5wzrA:
8.72
6bplB-5wzrA:
8.72
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 3 ARG A 690
ARG A 618
ARG A 649
 ANP  A 901 ( 4.6A)
None
None
 1.06A 6bplA-5x9wA:
4.0
6bplB-5x9wA:
9.9		 6bplA-5x9wA:
7.69
6bplB-5x9wA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
RNA POLYMERASE II
SUBUNIT B12.5
RNA POLYMERASE
SUBUNIT ABC10-ALPHA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF03604
(DNA_RNApol_7kD)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF13656
(RNA_pol_L_2) 		3 ARG K   6
ARG B 852
ARG L  72
 None
 1.03A 6bplA-5xogK:
undetectable
6bplB-5xogK:
undetectable		 6bplA-5xogK:
16.52
6bplB-5xogK:
16.52
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.
5y1i CYTOCHROME P450

(Streptomyces
graminofaciens) 		PF00067
(p450) 		3 ARG A  36
ARG A 347
ARG A 342
 None
 1.09A 6bplA-5y1iA:
undetectable
6bplB-5y1iA:
undetectable		 6bplA-5y1iA:
13.71
6bplB-5y1iA:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 3 ARG A 961
ARG A 131
ARG A 842
 None
 1.05A 6bplA-6bogA:
4.7
6bplB-6bogA:
5.1		 6bplA-6bogA:
23.40
6bplB-6bogA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d2v TERB OXIDOREDUCTASE

(Streptomyces) 		no annotation 3 ARG A 157
ARG A 277
ARG A 171
 None
 0.99A 6bplA-6d2vA:
undetectable
6bplB-6d2vA:
undetectable		 6bplA-6d2vA:
19.54
6bplB-6d2vA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6daw NON-HEME IRON
HYDROXYLASE

(Streptomyces
lusitanus) 		no annotation 3 ARG A  89
ARG A 165
ARG A  75
 None
 1.09A 6bplA-6dawA:
undetectable
6bplB-6dawA:
undetectable		 6bplA-6dawA:
21.69
6bplB-6dawA:
21.69
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.
6eys -

(-) 		no annotation 3 ARG B 444
ARG B 272
ARG B 438
 None
 0.98A 6bplA-6eysB:
undetectable
6bplB-6eysB:
undetectable		 6bplA-6eysB:
undetectable
6bplB-6eysB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 3 ARG B 904
ARG B1054
ARG A 496
 None
 0.97A 6bplA-6f42B:
undetectable
6bplB-6f42B:
undetectable		 6bplA-6f42B:
22.22
6bplB-6f42B:
22.22
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.
6gpl GDP-MANNOSE 4,6
DEHYDRATASE

(Homo sapiens) 		no annotation 3 ARG B 325
ARG B 214
ARG B 247
 F7E  B 402 (-3.2A)
F7E  B 402 (-2.8A)
F7E  B 402 (-3.2A)
 1.07A 6bplA-6gplB:
undetectable
6bplB-6gplB:
undetectable		 6bplA-6gplB:
undetectable
6bplB-6gplB:
undetectable