SIMILAR PATTERNS OF AMINO ACIDS FOR 4L6V_1_PQN12001_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ao5 GLANDULAR
KALLIKREIN-13

(Mus musculus) 		PF00089
(Trypsin) 		5 SER A 139
GLY A 140
ALA A  32
GLY A 196
ALA A 246
 None
 1.11A 4l6v1-1ao5A:
undetectable
4l6v6-1ao5A:
undetectable		 4l6v1-1ao5A:
13.99
4l6v6-1ao5A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b7e PROTEIN (TRANSPOSASE
INHIBITOR PROTEIN
FROM TN5)

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5) 		5 ARG A 431
ALA A 428
LEU A 432
GLY A 433
ALA A 465
 None
 1.10A 4l6v1-1b7eA:
undetectable
4l6v6-1b7eA:
1.4		 4l6v1-1b7eA:
20.44
4l6v6-1b7eA:
12.83
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.
1f4h BETA-GALACTOSIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 GLY A 543
ALA A 616
LEU A 606
GLY A 605
ALA A 303
 None
 1.21A 4l6v1-1f4hA:
undetectable
4l6v6-1f4hA:
undetectable		 4l6v1-1f4hA:
21.89
4l6v6-1f4hA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		5 PHE A 348
GLY A 556
ALA A 341
GLY A 346
ALA A  86
 None
 0.94A 4l6v1-1iduA:
0.5
4l6v6-1iduA:
0.6		 4l6v1-1iduA:
21.67
4l6v6-1iduA:
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.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 ARG A 431
ALA A 428
LEU A 432
GLY A 433
ALA A 465
 None
 1.04A 4l6v1-1musA:
undetectable
4l6v6-1musA:
1.2		 4l6v1-1musA:
19.42
4l6v6-1musA:
13.63
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.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 ARG A 431
ALA A 428
LEU A 432
GLY A 433
ALA A 466
 None
 1.21A 4l6v1-1musA:
undetectable
4l6v6-1musA:
1.2		 4l6v1-1musA:
19.42
4l6v6-1musA:
13.63
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.
1mzj BETA-KETOACYLSYNTHAS
E III

(Streptomyces
sp. R1128) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 310
ALA A 313
LEU A 329
GLY A 182
ALA A 119
 None
 1.19A 4l6v1-1mzjA:
undetectable
4l6v6-1mzjA:
undetectable		 4l6v1-1mzjA:
18.83
4l6v6-1mzjA:
18.58
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 SER A 111
GLY A 114
ARG A 793
GLY A1039
ALA A1053
 FES  A3001 ( 4.9A)
FES  A3001 (-4.0A)
None
MTE  A3003 (-3.7A)
None
 1.16A 4l6v1-1n5xA:
undetectable
4l6v6-1n5xA:
undetectable		 4l6v1-1n5xA:
19.91
4l6v6-1n5xA:
6.74
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 140
SER A 142
ALA A 132
LEU A 135
GLY A 139
 None
 1.05A 4l6v1-1ogyA:
undetectable
4l6v6-1ogyA:
0.0		 4l6v1-1ogyA:
22.54
4l6v6-1ogyA:
9.99
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.
1pov POLIOVIRUS NATIVE
EMPTY CAPSID (TYPE
1)

(Enterovirus C) 		PF00073
(Rhv)
PF02226
(Pico_P1A) 		5 PHE 0 226
GLY 0 228
LEU 0 301
GLY 0 146
ALA 0 103
 None
 1.14A 4l6v1-1pov0:
undetectable
4l6v6-1pov0:
undetectable		 4l6v1-1pov0:
18.25
4l6v6-1pov0:
15.68
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 661
GLY A 653
ARG A 455
LEU A 651
GLY A 649
 None
 0.99A 4l6v1-1r8wA:
undetectable
4l6v6-1r8wA:
2.1		 4l6v1-1r8wA:
21.64
4l6v6-1r8wA:
10.66
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.
1wdv HYPOTHETICAL PROTEIN
APE2540

(Aeropyrum
pernix) 		PF04073
(tRNA_edit) 		5 MET A  71
ARG A  80
ALA A  82
LEU A  81
ALA A  31
 None
 1.17A 4l6v1-1wdvA:
undetectable
4l6v6-1wdvA:
undetectable		 4l6v1-1wdvA:
13.22
4l6v6-1wdvA:
22.58
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 PHE A  98
GLY A 100
LEU A  30
GLY A 103
ALA A 187
 None
 1.19A 4l6v1-1wkrA:
undetectable
4l6v6-1wkrA:
undetectable		 4l6v1-1wkrA:
20.32
4l6v6-1wkrA:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wwp HYPOTHETICAL PROTEIN
TTHA0636

(Thermus
thermophilus) 		PF08780
(NTase_sub_bind) 		5 ARG A  64
ALA A  74
LEU A  69
GLY A  67
ALA A   5
 None
 1.19A 4l6v1-1wwpA:
undetectable
4l6v6-1wwpA:
undetectable		 4l6v1-1wwpA:
10.59
4l6v6-1wwpA:
23.45
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 GLY A 398
ALA A 386
LEU A 389
GLY A 396
ALA A  24
 None
 1.16A 4l6v1-2acvA:
undetectable
4l6v6-2acvA:
undetectable		 4l6v1-2acvA:
20.68
4l6v6-2acvA:
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 GLY A 163
ALA A 168
LEU A 169
GLY A 147
ALA A  76
 None
 1.22A 4l6v1-2b4qA:
undetectable
4l6v6-2b4qA:
undetectable		 4l6v1-2b4qA:
17.47
4l6v6-2b4qA:
18.32
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.
2bdw HYPOTHETICAL PROTEIN
K11E8.1D

(Caenorhabditis
elegans) 		PF00069
(Pkinase) 		5 SER A  25
ARG A  28
LEU A  19
GLY A  20
ALA A 147
 None
 1.23A 4l6v1-2bdwA:
undetectable
4l6v6-2bdwA:
0.0		 4l6v1-2bdwA:
18.31
4l6v6-2bdwA:
15.67
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 PHE A 205
GLY A 199
ALA A 165
GLY A 204
ALA A 102
 None
 0.98A 4l6v1-2bfeA:
undetectable
4l6v6-2bfeA:
0.7		 4l6v1-2bfeA:
19.39
4l6v6-2bfeA:
15.16
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 GLY A 114
ARG A 117
ALA A 120
GLY A 111
ALA A 271
 PO4  A1794 (-3.4A)
None
None
None
FMT  A1795 ( 3.8A)
 1.18A 4l6v1-2c4mA:
undetectable
4l6v6-2c4mA:
undetectable		 4l6v1-2c4mA:
21.00
4l6v6-2c4mA:
9.70
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.
2d3y URACIL-DNA
GLYCOSYLASE

(Thermus
thermophilus) 		PF03167
(UDG) 		5 PHE A  72
SER A  65
GLY A  64
GLY A  78
ALA A 175
 ACT  A 222 (-4.0A)
ACT  A 222 (-2.8A)
None
None
None
 1.17A 4l6v1-2d3yA:
undetectable
4l6v6-2d3yA:
undetectable		 4l6v1-2d3yA:
15.20
4l6v6-2d3yA:
21.40
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.
2ffh PROTEIN (FFH)

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 MET A 199
GLY A 391
ALA A 364
LEU A 367
ALA A 256
 None
 1.20A 4l6v1-2ffhA:
undetectable
4l6v6-2ffhA:
undetectable		 4l6v1-2ffhA:
19.63
4l6v6-2ffhA:
14.45
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 GLY A 244
ARG A 245
ALA A 395
GLY A 356
ALA A 425
 None
 1.05A 4l6v1-2i7tA:
undetectable
4l6v6-2i7tA:
undetectable		 4l6v1-2i7tA:
20.69
4l6v6-2i7tA:
14.38
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 GLY A 170
ARG A 163
ALA A 159
LEU A 162
ALA A 252
 None
 1.14A 4l6v1-2jh3A:
undetectable
4l6v6-2jh3A:
undetectable		 4l6v1-2jh3A:
21.34
4l6v6-2jh3A:
10.97
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.
2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF01903
(CbiX) 		5 PHE A 168
ARG A 163
ALA A 159
LEU A 162
ALA A 252
 None
 1.13A 4l6v1-2jh3A:
undetectable
4l6v6-2jh3A:
undetectable		 4l6v1-2jh3A:
21.34
4l6v6-2jh3A:
10.97
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.
2o01 PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI,
CHLOROPLAST

(Spinacia
oleracea) 		PF02605
(PsaL) 		5 PHE L 143
GLY L  53
ALA L  59
GLY L 146
ALA L  71
 None
None
CLA  L1502 ( 3.3A)
None
None
 1.21A 4l6v1-2o01L:
undetectable
4l6v6-2o01L:
undetectable		 4l6v1-2o01L:
14.98
4l6v6-2o01L:
22.02
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.
2put ISOMERASE DOMAIN OF
GLUTAMINE-FRUCTOSE-6
-PHOSPHATE
TRANSAMINASE
(ISOMERIZING)

(Candida
albicans) 		PF01380
(SIS) 		6 PHE A 622
SER A 627
GLY A 576
ALA A 580
GLY A 574
ALA A 692
 None
 1.30A 4l6v1-2putA:
undetectable
4l6v6-2putA:
undetectable		 4l6v1-2putA:
18.55
4l6v6-2putA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q04 ACETOIN UTILIZATION
PROTEIN

(Exiguobacterium
sibiricum) 		PF00583
(Acetyltransf_1) 		5 GLY A 187
ALA A 184
LEU A 164
GLY A 163
ALA A  40
 None
None
None
None
EDO  A 214 (-3.6A)
 1.05A 4l6v1-2q04A:
undetectable
4l6v6-2q04A:
undetectable		 4l6v1-2q04A:
12.88
4l6v6-2q04A:
24.19
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.
2q04 ACETOIN UTILIZATION
PROTEIN

(Exiguobacterium
sibiricum) 		PF00583
(Acetyltransf_1) 		5 MET A 125
ALA A 184
LEU A 164
GLY A 163
ALA A  40
 None
None
None
None
EDO  A 214 (-3.6A)
 1.05A 4l6v1-2q04A:
undetectable
4l6v6-2q04A:
undetectable		 4l6v1-2q04A:
12.88
4l6v6-2q04A:
24.19
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.
2qyf MAD2L1-BINDING
PROTEIN

(Homo sapiens) 		PF06581
(p31comet) 		5 PHE B  60
GLY B 248
ARG B 249
ALA B 173
LEU B 172
 None
 1.22A 4l6v1-2qyfB:
undetectable
4l6v6-2qyfB:
undetectable		 4l6v1-2qyfB:
14.78
4l6v6-2qyfB:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rrk CTP
PYROPHOSPHOHYDROLASE

(Escherichia
coli) 		PF00293
(NUDIX) 		5 GLY A  96
ALA A  66
LEU A  58
GLY A  63
ALA A 122
 None
 1.20A 4l6v1-2rrkA:
undetectable
4l6v6-2rrkA:
undetectable		 4l6v1-2rrkA:
10.39
4l6v6-2rrkA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 GLY A 656
TRP A 635
ALA A 634
LEU A 625
GLY A 627
 None
 1.10A 4l6v1-2v5iA:
undetectable
4l6v6-2v5iA:
undetectable		 4l6v1-2v5iA:
22.37
4l6v6-2v5iA:
13.55
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.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 GLY A 525
ALA A 425
LEU A 423
GLY A 422
ALA A 280
 None
 1.14A 4l6v1-2x0sA:
undetectable
4l6v6-2x0sA:
1.8		 4l6v1-2x0sA:
22.45
4l6v6-2x0sA:
10.87
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.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 PHE A 229
ALA A 220
LEU A 222
GLY A 228
ALA A 354
 None
 1.08A 4l6v1-2yfhA:
undetectable
4l6v6-2yfhA:
undetectable		 4l6v1-2yfhA:
21.30
4l6v6-2yfhA:
13.88
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		5 MET A 148
PHE A 433
SER A 150
GLY A 151
GLY A 436
 None
None
FAD  A 700 (-4.9A)
FAD  A 700 (-3.2A)
None
 1.23A 4l6v1-2ylzA:
undetectable
4l6v6-2ylzA:
undetectable		 4l6v1-2ylzA:
22.21
4l6v6-2ylzA:
13.28
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.
3ak4 NADH-DEPENDENT
QUINUCLIDINONE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF13561
(adh_short_C2) 		5 PHE A 188
GLY A 255
LEU A 144
GLY A 187
ALA A  99
 None
 1.14A 4l6v1-3ak4A:
undetectable
4l6v6-3ak4A:
undetectable		 4l6v1-3ak4A:
15.85
4l6v6-3ak4A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 TRP A  60
SER A 367
ALA A 174
LEU A 173
ALA A 101
 None
 1.21A 4l6v1-3cb5A:
undetectable
4l6v6-3cb5A:
undetectable		 4l6v1-3cb5A:
19.71
4l6v6-3cb5A:
13.24
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.
3cfx UPF0100 PROTEIN
MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		5 SER A 156
GLY A 164
ARG A 166
ALA A  98
ALA A  60
 None
None
None
WO4  A 701 (-3.5A)
None
 1.12A 4l6v1-3cfxA:
undetectable
4l6v6-3cfxA:
undetectable		 4l6v1-3cfxA:
18.63
4l6v6-3cfxA:
17.15
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.
3epc PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		5 PHE 2 157
GLY 2 159
LEU 2 232
GLY 2  77
ALA 2  34
 None
 1.12A 4l6v1-3epc2:
undetectable
4l6v6-3epc2:
undetectable		 4l6v1-3epc2:
16.19
4l6v6-3epc2:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 PHE A 463
GLY A 495
ARG A 494
GLY A 460
ALA A 419
 None
 0.98A 4l6v1-3eqnA:
undetectable
4l6v6-3eqnA:
undetectable		 4l6v1-3eqnA:
21.65
4l6v6-3eqnA:
9.58
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		5 SER A 242
GLY A 246
ALA B  71
LEU A 392
GLY A 286
 None
 1.18A 4l6v1-3gyxA:
undetectable
4l6v6-3gyxA:
undetectable		 4l6v1-3gyxA:
21.07
4l6v6-3gyxA:
10.12
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.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 311
ALA A  12
LEU A  13
GLY A 292
ALA A  28
 None
 1.14A 4l6v1-3iwaA:
undetectable
4l6v6-3iwaA:
undetectable		 4l6v1-3iwaA:
21.29
4l6v6-3iwaA:
13.15
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		6 PHE A 327
SER A 394
GLY A 396
ALA A 306
GLY A 326
ALA A 174
 None
 1.25A 4l6v1-3mpgA:
undetectable
4l6v6-3mpgA:
undetectable		 4l6v1-3mpgA:
20.95
4l6v6-3mpgA:
14.53
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.
3ogr BETA-GALACTOSIDASE

(Trichoderma
reesei) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLY A 845
ARG A 869
LEU A 865
GLY A 863
ALA A 935
 None
 1.20A 4l6v1-3ogrA:
undetectable
4l6v6-3ogrA:
undetectable		 4l6v1-3ogrA:
22.24
4l6v6-3ogrA:
8.83
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.
3p14 L-RHAMNOSE ISOMERASE

(Bacillus
halodurans) 		PF06134
(RhaA) 		5 GLY A 188
ALA A 147
LEU A 203
GLY A 239
ALA A 213
 None
 0.97A 4l6v1-3p14A:
undetectable
4l6v6-3p14A:
undetectable		 4l6v1-3p14A:
19.95
4l6v6-3p14A:
15.70
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.
3rui UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Saccharomyces
cerevisiae) 		PF00899
(ThiF) 		5 PHE A 353
GLY A 333
ALA A 368
LEU A 369
ALA A 298
 None
 1.01A 4l6v1-3ruiA:
undetectable
4l6v6-3ruiA:
undetectable		 4l6v1-3ruiA:
18.21
4l6v6-3ruiA:
17.60
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.
3s6h N-ACETYLGLUTAMATE
KINASE /
N-ACETYLGLUTAMATE
SYNTHASE

(Maricaulis
maris) 		PF00696
(AA_kinase)
PF04768
(NAT) 		5 GLY A 137
ALA A 176
LEU A 178
GLY A 179
ALA A  87
 None
 1.19A 4l6v1-3s6hA:
undetectable
4l6v6-3s6hA:
undetectable		 4l6v1-3s6hA:
21.00
4l6v6-3s6hA:
14.60
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		5 GLY A 341
TRP A 340
ALA A 336
LEU A 339
ALA A  93
 None
 1.22A 4l6v1-3sggA:
undetectable
4l6v6-3sggA:
undetectable		 4l6v1-3sggA:
19.92
4l6v6-3sggA:
10.80
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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 GLY A  14
ALA A 242
LEU A  12
GLY A 410
ALA A 367
 None
 1.13A 4l6v1-3swdA:
undetectable
4l6v6-3swdA:
undetectable		 4l6v1-3swdA:
20.79
4l6v6-3swdA:
15.69
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.
3t33 G PROTEIN COUPLED
RECEPTOR

(Arabidopsis
thaliana) 		PF05147
(LANC_like) 		5 SER A 332
GLY A 326
LEU A 383
GLY A 388
ALA A 133
 None
 1.18A 4l6v1-3t33A:
undetectable
4l6v6-3t33A:
undetectable		 4l6v1-3t33A:
20.13
4l6v6-3t33A:
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.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		5 PHE A 359
SER A 354
GLY A 351
ALA A 132
LEU A 148
 None
None
MG  A 501 ( 4.5A)
MG  A 501 ( 3.8A)
None
 1.14A 4l6v1-3vb9A:
undetectable
4l6v6-3vb9A:
undetectable		 4l6v1-3vb9A:
20.19
4l6v6-3vb9A:
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 GLY A 225
ALA A  36
LEU A 222
GLY A 203
ALA A 135
 None
 1.07A 4l6v1-3vcyA:
undetectable
4l6v6-3vcyA:
undetectable		 4l6v1-3vcyA:
19.31
4l6v6-3vcyA:
16.08
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.
3vom PUTATIVE
PHOSPHOSERINE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 GLY A  59
ARG A  60
ALA A 262
GLY A  64
ALA A 352
 None
 1.05A 4l6v1-3vomA:
undetectable
4l6v6-3vomA:
undetectable		 4l6v1-3vomA:
21.04
4l6v6-3vomA:
18.18
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.
3wad GLYCOSYLTRANSFERASE

(Streptomyces
halstedii) 		PF06722
(DUF1205) 		5 GLY A 231
ARG A  11
ALA A  42
LEU A  14
ALA A 119
 None
 0.96A 4l6v1-3wadA:
undetectable
4l6v6-3wadA:
undetectable		 4l6v1-3wadA:
21.20
4l6v6-3wadA:
14.52
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.
3wad GLYCOSYLTRANSFERASE

(Streptomyces
halstedii) 		PF06722
(DUF1205) 		5 GLY A 231
ARG A  11
ALA A  42
LEU A  14
ALA A 139
 None
 1.23A 4l6v1-3wadA:
undetectable
4l6v6-3wadA:
undetectable		 4l6v1-3wadA:
21.20
4l6v6-3wadA:
14.52
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.
3wuf ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
sp.) 		PF00331
(Glyco_hydro_10) 		5 PHE A  76
SER A  74
LEU A  43
GLY A  44
ALA A 246
 None
 1.19A 4l6v1-3wufA:
undetectable
4l6v6-3wufA:
undetectable		 4l6v1-3wufA:
18.16
4l6v6-3wufA:
15.65
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.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1
MONOCLONAL ANTIBODY
3E3 HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF00754
(F5_F8_type_C)
PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H 103
GLY A 339
LEU H  99
GLY H  97
ALA H  88
 None
 1.12A 4l6v1-4ag4H:
undetectable
4l6v6-4ag4H:
undetectable		 4l6v1-4ag4H:
13.96
4l6v6-4ag4H:
17.87
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.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1
MONOCLONAL ANTIBODY
3E3 HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF00754
(F5_F8_type_C)
PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H 103
GLY A 340
TRP H  33
GLY H  97
ALA H  88
 None
 1.04A 4l6v1-4ag4H:
undetectable
4l6v6-4ag4H:
undetectable		 4l6v1-4ag4H:
13.96
4l6v6-4ag4H:
17.87
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.
4bv4 PROTEIN TOLL,
VARIABLE LYMPHOCYTE
RECEPTOR B CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 GLY R 449
TRP R 420
ALA R 398
LEU R 421
ALA R 359
 None
 1.21A 4l6v1-4bv4R:
undetectable
4l6v6-4bv4R:
undetectable		 4l6v1-4bv4R:
21.25
4l6v6-4bv4R:
14.45
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.
4ce5 AT-OMEGATA

(Aspergillus
terreus) 		PF01063
(Aminotran_4) 		5 GLY A 123
ARG A 122
LEU A  58
GLY A  52
ALA A 276
 None
None
None
None
PDG  A1181 ( 3.7A)
 1.16A 4l6v1-4ce5A:
undetectable
4l6v6-4ce5A:
undetectable		 4l6v1-4ce5A:
17.52
4l6v6-4ce5A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d9r COMPLEMENT FACTOR D

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 115
ALA A 112
LEU A  68
GLY A  69
ALA A  56
 None
 1.05A 4l6v1-4d9rA:
undetectable
4l6v6-4d9rA:
undetectable		 4l6v1-4d9rA:
15.21
4l6v6-4d9rA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4p AMINO ACID ABC
TRANSPORTER, AMINO
ACID-BINDING/PERMEAS
E PROTEIN

(Enterococcus
faecalis) 		PF00497
(SBP_bac_3) 		5 MET A  90
PHE A  71
GLY A  28
ALA A  77
GLY A  70
 None
GLN  A 302 (-3.8A)
None
None
None
 1.20A 4l6v1-4g4pA:
undetectable
4l6v6-4g4pA:
undetectable		 4l6v1-4g4pA:
14.59
4l6v6-4g4pA:
17.62
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.
4hrt GLOBIN-2 A CHAIN

(Scapharca
inaequivalvis) 		PF00042
(Globin) 		5 PHE A 111
GLY A 143
ALA A 148
LEU A 149
GLY A 108
 HEM  A 201 (-3.8A)
None
None
None
None
 1.16A 4l6v1-4hrtA:
undetectable
4l6v6-4hrtA:
undetectable		 4l6v1-4hrtA:
11.56
4l6v6-4hrtA:
24.20
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.
4i3f SERINE HYDROLASE
CCSP0084

(Cycloclasticus
sp. P1) 		PF12697
(Abhydrolase_6) 		5 PHE A 197
GLY A  74
ALA A 207
GLY A 200
ALA A 227
 None
 1.20A 4l6v1-4i3fA:
undetectable
4l6v6-4i3fA:
undetectable		 4l6v1-4i3fA:
16.56
4l6v6-4i3fA:
19.68
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 203
ALA A 360
LEU A 357
GLY A 121
ALA A  51
 None
 1.23A 4l6v1-4jgaA:
undetectable
4l6v6-4jgaA:
undetectable		 4l6v1-4jgaA:
20.65
4l6v6-4jgaA:
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.
4nnd TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 18

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 SER A 229
GLY A 232
ALA A 273
GLY A 237
ALA A  24
 None
 0.98A 4l6v1-4nndA:
undetectable
4l6v6-4nndA:
undetectable		 4l6v1-4nndA:
17.51
4l6v6-4nndA:
19.00
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.
4nqw ECF RNA POLYMERASE
SIGMA FACTOR SIGK

(Mycobacterium
tuberculosis) 		PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		5 SER A  51
ALA A  84
LEU A  40
GLY A  39
ALA A 176
 None
 1.15A 4l6v1-4nqwA:
undetectable
4l6v6-4nqwA:
undetectable		 4l6v1-4nqwA:
14.74
4l6v6-4nqwA:
19.70
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.
4ntd THIOREDOXIN
REDUCTASE

(Streptomyces
clavuligerus) 		PF07992
(Pyr_redox_2) 		5 PHE A  53
GLY A  58
ALA A  63
LEU A  64
ALA A  28
 None
 1.13A 4l6v1-4ntdA:
undetectable
4l6v6-4ntdA:
undetectable		 4l6v1-4ntdA:
18.36
4l6v6-4ntdA:
17.31
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.
4o9u NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 GLY B 226
ALA B 229
LEU B 230
GLY B 222
ALA B  69
 None
 1.17A 4l6v1-4o9uB:
1.7
4l6v6-4o9uB:
undetectable		 4l6v1-4o9uB:
20.51
4l6v6-4o9uB:
15.85
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.
4q80 SERINE PROTEASE 57

(Homo sapiens) 		PF00089
(Trypsin) 		5 GLY A 115
ALA A 112
LEU A  68
GLY A  69
ALA A  56
 None
 1.06A 4l6v1-4q80A:
undetectable
4l6v6-4q80A:
undetectable		 4l6v1-4q80A:
16.49
4l6v6-4q80A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A2777
ALA A2899
LEU A2902
GLY A2554
ALA A2546
 None
 1.18A 4l6v1-4qyrA:
undetectable
4l6v6-4qyrA:
undetectable		 4l6v1-4qyrA:
24.44
4l6v6-4qyrA:
11.22
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 GLY A 225
ALA A  36
LEU A 222
GLY A 203
ALA A 135
 None
 1.19A 4l6v1-4r7uA:
undetectable
4l6v6-4r7uA:
undetectable		 4l6v1-4r7uA:
20.56
4l6v6-4r7uA:
14.69
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.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 189
ALA A 345
LEU A 342
GLY A 107
ALA A  46
 None
 1.19A 4l6v1-4r8eA:
undetectable
4l6v6-4r8eA:
undetectable		 4l6v1-4r8eA:
20.42
4l6v6-4r8eA:
15.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		10 TRP A  55
MET A 691
PHE A 692
SER A 695
GLY A 696
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 4.1A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.32A 4l6v1-4rkuA:
43.3
4l6v6-4rkuA:
2.0		 4l6v1-4rkuA:
81.00
4l6v6-4rkuA:
11.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		8 TRP B  22
MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.57A 4l6v1-4rkuB:
34.0
4l6v6-4rkuB:
2.1		 4l6v1-4rkuB:
42.75
4l6v6-4rkuB:
11.09
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ARG A  28
ALA A 228
LEU A  29
GLY A  26
ALA A 132
 None
 0.92A 4l6v1-4wecA:
undetectable
4l6v6-4wecA:
undetectable		 4l6v1-4wecA:
16.91
4l6v6-4wecA:
20.79
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.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 5 SER A 399
GLY A 398
ALA A 313
LEU A 316
ALA A 120
 None
 0.97A 4l6v1-5ah1A:
undetectable
4l6v6-5ah1A:
undetectable		 4l6v1-5ah1A:
19.45
4l6v6-5ah1A:
14.22
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 SER A 150
GLY A 149
ARG A 148
LEU A 576
GLY A 577
 None
 1.07A 4l6v1-5eawA:
2.2
4l6v6-5eawA:
undetectable		 4l6v1-5eawA:
21.81
4l6v6-5eawA:
7.93
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.
5ket ALDO-KETO REDUCTASE
1

(Coptotermes
gestroi) 		PF00248
(Aldo_ket_red) 		5 PHE A 119
GLY A  86
LEU A 115
GLY A 118
ALA A 237
 None
 1.02A 4l6v1-5ketA:
undetectable
4l6v6-5ketA:
undetectable		 4l6v1-5ketA:
17.95
4l6v6-5ketA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 5 GLY H 217
TRP H 225
LEU H 245
GLY H 247
ALA H 285
 None
 1.18A 4l6v1-5mgyH:
undetectable
4l6v6-5mgyH:
undetectable		 4l6v1-5mgyH:
17.90
4l6v6-5mgyH:
17.47
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		5 MET A 523
PHE A 511
GLY A 509
ALA A 480
ALA A 416
 None
 1.15A 4l6v1-5mqsA:
undetectable
4l6v6-5mqsA:
undetectable		 4l6v1-5mqsA:
20.48
4l6v6-5mqsA:
7.91
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		5 MET A 806
SER A 809
GLY A 812
GLY A 800
ALA A 833
 None
 1.12A 4l6v1-5mqsA:
undetectable
4l6v6-5mqsA:
undetectable		 4l6v1-5mqsA:
20.48
4l6v6-5mqsA:
7.91
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.
5myu TYPE VI SECRETION
SYSTEM PROTEIN IMPC

(Vibrio cholerae) 		PF05943
(VipB) 		5 GLY A 343
ALA A 233
LEU A 236
GLY A 237
ALA A 131
 None
 0.94A 4l6v1-5myuA:
undetectable
4l6v6-5myuA:
undetectable		 4l6v1-5myuA:
19.09
4l6v6-5myuA:
16.44
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.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 SER A 170
GLY A 167
ALA A  18
GLY A  14
ALA A   7
 None
FAD  A 501 (-3.7A)
FAD  A 501 (-3.4A)
FAD  A 501 (-3.2A)
None
 1.20A 4l6v1-5nagA:
undetectable
4l6v6-5nagA:
undetectable		 4l6v1-5nagA:
20.53
4l6v6-5nagA:
12.17
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 GLY A  51
ALA A  54
LEU A 259
GLY A 260
ALA A 178
 None
MG  A1002 ( 4.3A)
None
None
None
 1.13A 4l6v1-5njuA:
undetectable
4l6v6-5njuA:
undetectable		 4l6v1-5njuA:
10.19
4l6v6-5njuA:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 10 TRP 1  49
MET 1 684
PHE 1 685
SER 1 688
GLY 1 689
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
 CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 4.3A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
 0.43A 4l6v1-5oy01:
45.9
4l6v6-5oy01:
1.9		 4l6v1-5oy01:
100.00
4l6v6-5oy01:
16.81
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 8 TRP b  22
MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
 CLA  b1841 ( 4.0A)
CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.60A 4l6v1-5oy0b:
34.5
4l6v6-5oy0b:
undetectable		 4l6v1-5oy0b:
7.36
4l6v6-5oy0b:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tcb PELA

(Pseudomonas
aeruginosa) 		PF03537
(Glyco_hydro_114) 		5 TRP A 138
GLY A 175
ALA A 134
LEU A 133
ALA A 108
 None
 1.13A 4l6v1-5tcbA:
undetectable
4l6v6-5tcbA:
undetectable		 4l6v1-5tcbA:
16.22
4l6v6-5tcbA:
18.25
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 PHE A 127
SER A 123
ALA A  68
LEU A  79
ALA A  61
 None
 1.06A 4l6v1-5thkA:
undetectable
4l6v6-5thkA:
undetectable		 4l6v1-5thkA:
15.88
4l6v6-5thkA:
17.48
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 MET A 421
SER A 107
ALA A 156
LEU A 155
ALA A 434
 None
 1.11A 4l6v1-5tr1A:
1.5
4l6v6-5tr1A:
1.3		 4l6v1-5tr1A:
23.26
4l6v6-5tr1A:
11.38
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.
5tr3 DIHYDROLIPOYL
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  93
ARG A  94
ALA A  59
GLY A  97
ALA A 330
 None
None
None
None
FAD  A 501 ( 3.8A)
 1.08A 4l6v1-5tr3A:
undetectable
4l6v6-5tr3A:
undetectable		 4l6v1-5tr3A:
21.73
4l6v6-5tr3A:
14.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		5 SER A 545
ARG A 551
ALA A 580
LEU A 581
GLY A 586
 AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
None
 1.03A 4l6v1-5v8kA:
6.6
4l6v6-5v8kA:
1.0		 4l6v1-5v8kA:
25.70
4l6v6-5v8kA:
14.26
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 MET A  64
SER A  53
GLY A  52
ALA A 443
GLY A  70
 None
ACT  A 611 (-4.8A)
None
None
None
 1.11A 4l6v1-5vpuA:
undetectable
4l6v6-5vpuA:
undetectable		 4l6v1-5vpuA:
21.36
4l6v6-5vpuA:
13.19
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 TRP A 996
ALA A 991
LEU A 992
GLY A1196
ALA A 833
 None
 1.22A 4l6v1-6fikA:
undetectable
4l6v6-6fikA:
undetectable		 4l6v1-6fikA:
7.76
4l6v6-6fikA:
25.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 8 MET A 681
PHE A 682
SER A 685
GLY A 686
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.85A 4l6v1-6fosA:
40.0
4l6v6-6fosA:
2.3		 4l6v1-6fosA:
69.23
4l6v6-6fosA:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 8 TRP A  46
PHE A 682
SER A 685
GLY A 686
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 None
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.82A 4l6v1-6fosA:
40.0
4l6v6-6fosA:
2.3		 4l6v1-6fosA:
69.23
4l6v6-6fosA:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 9 MET A 681
PHE A 682
GLY A 686
ARG A 687
TRP A 690
ALA A 714
LEU A 715
GLY A 720
ALA J  14
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
PQN  A2001 ( 4.0A)
 0.85A 4l6v1-6fosA:
40.0
4l6v6-6fosA:
2.3		 4l6v1-6fosA:
69.23
4l6v6-6fosA:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 8 MET A 681
PHE A 682
GLY A 686
TRP A 690
ALA A 714
LEU A 715
GLY A 720
ALA J  10
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.9A)
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
CLA  A1101 ( 4.6A)
 1.41A 4l6v1-6fosA:
40.0
4l6v6-6fosA:
2.3		 4l6v1-6fosA:
69.23
4l6v6-6fosA:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX

(Cyanidioschyzon
merolae) 		no annotation 9 TRP A  46
PHE A 682
GLY A 686
ARG A 687
TRP A 690
ALA A 714
LEU A 715
GLY A 720
ALA J  14
 None
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
PQN  A2001 ( 4.0A)
 0.96A 4l6v1-6fosA:
40.0
4l6v6-6fosA:
2.3		 4l6v1-6fosA:
69.23
4l6v6-6fosA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 8 TRP B  22
MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 None
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.90A 4l6v1-6fosB:
27.2
4l6v6-6fosB:
1.4		 4l6v1-6fosB:
19.42
4l6v6-6fosB:
19.84
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.
6g1o -

(-) 		no annotation 5 SER A 101
GLY A 102
ALA A 107
LEU A 108
ALA A 466
 None
CA  A 501 ( 4.6A)
None
None
None
 1.03A 4l6v1-6g1oA:
undetectable
4l6v6-6g1oA:
undetectable		 4l6v1-6g1oA:
undetectable
4l6v6-6g1oA:
undetectable