SIMILAR PATTERNS OF AMINO ACIDS FOR 6FOS_A_PQNA2001

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.
1hlg LIPASE, GASTRIC

(Homo sapiens) 		PF00561
(Abhydrolase_1) 		4 TRP A 319
GLY A  66
ALA A 180
LEU A 179
 None
 0.93A 6fosA-1hlgA:
undetectable		 6fosA-1hlgA:
13.09
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.
1k8q TRIACYLGLYCEROL
LIPASE, GASTRIC

(Canis lupus) 		PF00561
(Abhydrolase_1) 		4 TRP A 319
GLY A  66
ALA A 180
LEU A 179
 None
C11  A2001 (-3.4A)
None
None
 1.01A 6fosA-1k8qA:
undetectable		 6fosA-1k8qA:
13.56
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.
1mt0 HEMOLYSIN SECRETION
ATP-BINDING PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran) 		4 MET A 648
GLY A 583
ALA A 617
LEU A 620
 None
 0.98A 6fosA-1mt0A:
undetectable		 6fosA-1mt0A:
17.96
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.
1qz9 KYNURENINASE

(Pseudomonas
fluorescens) 		PF00266
(Aminotran_5) 		4 GLY A  68
TRP A  69
ALA A 289
LEU A 288
 None
 1.03A 6fosA-1qz9A:
undetectable		 6fosA-1qz9A:
9.89
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.
1vf1 GLUTATHIONE
S-TRANSFERASE 3

(Gallus gallus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 MET A 103
GLY A  97
ALA A 156
LEU A 160
 None
 1.06A 6fosA-1vf1A:
undetectable		 6fosA-1vf1A:
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.
1yhu HEMOGLOBIN A1 CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		4 TRP A  34
GLY A 119
ALA A  32
LEU A  33
 None
 0.96A 6fosA-1yhuA:
undetectable		 6fosA-1yhuA:
22.76
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 MET A 440
GLY A 350
ALA A 355
LEU A 356
 None
 0.96A 6fosA-1zfjA:
undetectable		 6fosA-1zfjA:
9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3a GLUTAMINE SYNTHETASE

(Zea mays) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 MET A 194
GLY A 144
TRP A 145
LEU A 135
 None
 0.85A 6fosA-2d3aA:
undetectable		 6fosA-2d3aA:
11.73
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.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1) 		PF01499
(Herpes_UL25) 		4 MET A 564
GLY A 571
ALA A 468
LEU A 467
 None
 0.99A 6fosA-2f5uA:
undetectable		 6fosA-2f5uA:
11.29
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.
2ffh PROTEIN (FFH)

(Thermus
aquaticus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 MET A 199
GLY A 391
ALA A 364
LEU A 367
 None
 1.05A 6fosA-2ffhA:
1.3		 6fosA-2ffhA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gtr CHROMODOMAIN Y-LIKE
PROTEIN

(Homo sapiens) 		PF00378
(ECH_1) 		4 MET A 247
GLY A 242
ALA A  87
LEU A 237
 None
 0.93A 6fosA-2gtrA:
0.0		 6fosA-2gtrA:
14.62
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.
2i8b MINOR NUCLEOPROTEIN
VP30

(Zaire
ebolavirus) 		PF11507
(Transcript_VP30) 		4 TRP A 230
GLY A 220
ALA A 225
LEU A 226
 None
 0.76A 6fosA-2i8bA:
undetectable		 6fosA-2i8bA:
18.31
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.
2j28 50S RIBOSOMAL
PROTEIN L2

(Escherichia
coli) 		PF00181
(Ribosomal_L2)
PF03947
(Ribosomal_L2_C) 		4 MET C 145
GLY C 150
ALA C 154
LEU C 153
 C  B1800 ( 4.1A)
None
U  B1818 ( 3.1A)
A  B1819 ( 3.5A)
 1.09A 6fosA-2j28C:
undetectable		 6fosA-2j28C:
19.55
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.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		4 MET A 114
GLY A 118
ALA A 149
LEU A 147
 None
 0.98A 6fosA-2o14A:
undetectable		 6fosA-2o14A:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		4 TRP A 171
GLY A   9
ALA A 328
LEU A 329
 None
 0.90A 6fosA-2q0fA:
undetectable		 6fosA-2q0fA:
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.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		4 MET A 263
GLY A 269
ALA A 232
LEU A 275
 None
 1.04A 6fosA-2q3oA:
undetectable		 6fosA-2q3oA:
11.51
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		4 MET A  53
GLY A  96
ALA A 103
LEU A 115
 None
FMT  A 602 (-3.4A)
None
None
 1.08A 6fosA-2qfqA:
undetectable		 6fosA-2qfqA:
10.95
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.
2qib TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 MET A 110
GLY A 105
ALA A  68
LEU A  65
 P6G  A 701 ( 4.3A)
P6G  A 701 ( 4.1A)
P6G  A 701 ( 3.9A)
P6G  A 701 (-4.4A)
 0.96A 6fosA-2qibA:
2.2		 6fosA-2qibA:
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.
2uut RNA-DIRECTED RNA
POLYMERASE

(Sapporo virus) 		PF00680
(RdRP_1) 		4 TRP A 185
GLY A  19
ALA A 165
LEU A 164
 None
 1.08A 6fosA-2uutA:
undetectable		 6fosA-2uutA:
9.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x30 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
coelicolor) 		PF00977
(His_biosynth) 		4 TRP A  48
GLY A 197
ALA A 219
LEU A   7
 None
SO4  A1242 (-3.4A)
None
None
 1.02A 6fosA-2x30A:
undetectable		 6fosA-2x30A:
12.92
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.
2x4l FERRIC-SIDEROPHORE
RECEPTOR PROTEIN

(Streptomyces
coelicolor) 		PF01497
(Peripla_BP_2) 		4 TRP A  53
GLY A  86
ALA A 187
LEU A 190
 None
 1.06A 6fosA-2x4lA:
undetectable		 6fosA-2x4lA:
14.63
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.
2x5d PROBABLE
AMINOTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00155
(Aminotran_1_2) 		4 MET A 256
GLY A 106
ALA A 112
LEU A 111
 None
SO4  A1402 (-3.2A)
None
None
 0.98A 6fosA-2x5dA:
undetectable		 6fosA-2x5dA:
11.97
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		4 MET A1021
GLY A 943
ALA A 892
LEU A 899
 None
None
NA  A2153 ( 3.8A)
NA  A2153 (-4.9A)
 0.97A 6fosA-2ya1A:
undetectable		 6fosA-2ya1A:
5.19
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 MET A 566
GLY A 488
ALA A 437
LEU A 444
 None
 1.03A 6fosA-2ya2A:
undetectable		 6fosA-2ya2A:
7.61
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 GLY A 579
TRP A 550
ALA A 528
LEU A 551
 None
 1.07A 6fosA-2z63A:
undetectable		 6fosA-2z63A:
9.68
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.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		4 MET A 115
GLY A 285
ALA A  75
LEU A  76
 None
 1.04A 6fosA-2zbmA:
undetectable		 6fosA-2zbmA:
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.
3aj2 CELLULOSE SYNTHASE
OPERON PROTEIN D

(Komagataeibacter
xylinus) 		PF03500
(Cellsynth_D) 		4 TRP A 103
MET A  41
GLY A 110
LEU A  34
 None
 1.07A 6fosA-3aj2A:
undetectable		 6fosA-3aj2A:
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.
3aw5 MULTICOPPER OXIDASE

(Pyrobaculum
aerophilum) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 MET A 471
GLY A 468
ALA A 140
LEU A 463
 None
 0.90A 6fosA-3aw5A:
undetectable		 6fosA-3aw5A:
10.25
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.
3ayn RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 TRP A 274
MET A  92
GLY A  45
ALA A 306
 RET  A1000 (-4.2A)
None
None
None
 1.09A 6fosA-3aynA:
3.1		 6fosA-3aynA:
12.37
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.
3cym UNCHARACTERIZED
PROTEIN BAD_0989

(Bifidobacterium
adolescentis) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 TRP A  94
GLY A  66
ALA A  40
LEU A  39
 None
 1.07A 6fosA-3cymA:
2.1		 6fosA-3cymA:
11.90
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.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 TRP A 176
GLY A 100
ALA A 181
LEU A 128
 None
 0.73A 6fosA-3fcjA:
3.2		 6fosA-3fcjA:
11.55
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.
3ffu PROBABLE
PYROPHOSPHOHYDROLASE

(Bdellovibrio
bacteriovorus) 		PF00293
(NUDIX) 		4 GLY A 109
TRP A 107
ALA A  79
LEU A  71
 None
 1.02A 6fosA-3ffuA:
undetectable		 6fosA-3ffuA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gvp ADENOSYLHOMOCYSTEINA
SE 3

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 MET A 478
GLY A 404
ALA A 410
LEU A 411
 NAD  A 608 (-4.3A)
None
None
None
 1.06A 6fosA-3gvpA:
undetectable		 6fosA-3gvpA:
11.32
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.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		4 MET A  41
GLY A  38
ALA A  66
LEU A  65
 None
 1.03A 6fosA-3hbzA:
undetectable		 6fosA-3hbzA:
12.20
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.
3hur ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 MET A 297
GLY A 292
TRP A 293
LEU A 365
 None
SO4  A 396 (-3.4A)
None
None
 1.04A 6fosA-3hurA:
undetectable		 6fosA-3hurA:
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.
3ix7 UNCHARACTERIZED
PROTEIN TTHA0540

(Thermus
thermophilus) 		no annotation 4 MET A 246
GLY A 251
ALA A 229
LEU A 236
 None
 1.09A 6fosA-3ix7A:
undetectable		 6fosA-3ix7A:
23.81
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.
3j83 ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPB

(Mycobacterium
tuberculosis) 		no annotation 4 TRP A 156
MET A  25
GLY A 165
ALA A 199
 None
 0.78A 6fosA-3j83A:
undetectable		 6fosA-3j83A:
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.
3jc5 DNA REPLICATION
COMPLEX GINS PROTEIN
PSF3

(Saccharomyces
cerevisiae) 		PF05916
(Sld5) 		4 GLY C  13
TRP C  49
ALA C  51
LEU C  46
 None
 0.93A 6fosA-3jc5C:
undetectable		 6fosA-3jc5C:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kaq FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		4 MET A  55
GLY A   9
ALA A  72
LEU A  67
 None
 1.06A 6fosA-3kaqA:
undetectable		 6fosA-3kaqA:
19.05
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		4 MET A 124
GLY A 365
ALA A 370
LEU A 371
 None
 0.85A 6fosA-3nv9A:
3.1		 6fosA-3nv9A:
9.74
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.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 MET A 300
GLY A 276
ALA A 169
LEU A 172
 None
 1.02A 6fosA-3peiA:
undetectable		 6fosA-3peiA:
9.92
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.
3u1j SERINE PROTEASE NS3

(Dengue virus) 		PF00949
(Peptidase_S7) 		4 TRP B  83
GLY B 144
ALA B  87
LEU B  85
 None
 0.97A 6fosA-3u1jB:
undetectable		 6fosA-3u1jB:
21.48
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		4 MET A  18
GLY A  12
ALA A  37
LEU A 129
 None
FDA  A 547 (-3.4A)
FDA  A 547 ( 3.9A)
None
 1.06A 6fosA-3v76A:
undetectable		 6fosA-3v76A:
11.17
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.
3v7o MINOR NUCLEOPROTEIN
VP30

(Reston
ebolavirus) 		PF11507
(Transcript_VP30) 		4 TRP A  89
GLY A  79
ALA A  84
LEU A  85
 None
 0.82A 6fosA-3v7oA:
undetectable		 6fosA-3v7oA:
18.66
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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 TRP A 648
GLY A 535
ALA A 530
LEU A 473
 None
 1.04A 6fosA-3vmnA:
undetectable		 6fosA-3vmnA:
8.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w1g DNA LIGASE 4

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLY A 446
TRP A 447
ALA A 251
LEU A 250
 None
None
ATP  A 701 ( 4.4A)
None
 1.08A 6fosA-3w1gA:
undetectable		 6fosA-3w1gA:
7.88
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		4 GLY A  95
TRP A  94
ALA A 181
LEU A 184
 None
 0.98A 6fosA-3wc3A:
undetectable		 6fosA-3wc3A:
11.69
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.
3x1o ROQUIN-1

(Homo sapiens) 		no annotation 4 TRP A 184
GLY A 295
ALA A 186
LEU A 183
 None
 0.97A 6fosA-3x1oA:
undetectable		 6fosA-3x1oA:
17.58
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.
4arr TOLL RECEPTOR,
VARIABLE LYMPHOCYTE
RECEPTOR B.61
CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 GLY A 280
TRP A 251
ALA A 229
LEU A 252
 None
 1.09A 6fosA-4arrA:
undetectable		 6fosA-4arrA:
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.
4bs9 TRUD

(uncultured
Prochloron sp.
06037A) 		PF02624
(YcaO) 		4 TRP A 565
TRP A 600
ALA A 684
LEU A 602
 None
 1.01A 6fosA-4bs9A:
undetectable		 6fosA-4bs9A:
9.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4do7 AMIDOHYDROLASE 2

(Burkholderia
multivorans) 		PF04909
(Amidohydro_2) 		4 TRP A 278
GLY A 235
ALA A 276
LEU A 277
 None
 0.90A 6fosA-4do7A:
undetectable		 6fosA-4do7A:
12.29
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.
4eex ALCOHOL
DEHYDROGENASE 1

(Lactococcus
lactis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 MET A 325
GLY A 332
ALA A 148
LEU A 175
 None
 0.75A 6fosA-4eexA:
undetectable		 6fosA-4eexA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f6t MOLYBDENUM STORAGE
PROTEIN SUBUNIT
ALPHA
MOLYBDENUM STORAGE
PROTEIN SUBUNIT BETA

(Azotobacter
vinelandii) 		PF00696
(AA_kinase) 		4 TRP B 155
GLY A 185
ALA A 174
LEU A 177
 None
 0.90A 6fosA-4f6tB:
undetectable		 6fosA-4f6tB:
16.02
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.
4fle ESTERASE

(Yersinia
enterocolitica) 		PF05728
(UPF0227) 		4 TRP A  78
GLY A  65
ALA A  76
LEU A  79
 None
 0.94A 6fosA-4fleA:
undetectable		 6fosA-4fleA:
14.92
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.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE

(Escherichia
coli) 		PF00378
(ECH_1) 		4 MET A 156
GLY A 105
ALA A 111
LEU A 112
 None
 1.07A 6fosA-4fzwA:
undetectable		 6fosA-4fzwA:
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		4 MET A 115
GLY A 242
ALA A 249
LEU A 248
 None
 1.00A 6fosA-4hdsA:
undetectable		 6fosA-4hdsA:
12.42
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 MET A1281
GLY A1285
ALA A1290
LEU A1291
 None
 1.02A 6fosA-4iglA:
undetectable		 6fosA-4iglA:
4.56
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.
4kt0 PHOTOSYSTEM I
SUBUNIT III

(Synechocystis
sp. PCC 6803) 		PF02507
(PSI_PsaF) 		4 GLY F 115
TRP F 118
ALA F 121
LEU F 120
 None
 0.99A 6fosA-4kt0F:
2.1		 6fosA-4kt0F:
18.59
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.
4mf9 HEMIN DEGRADING
FACTOR

(Pseudomonas
aeruginosa) 		PF05171
(HemS) 		4 TRP A  18
GLY A 143
ALA A  34
LEU A  44
 None
 1.06A 6fosA-4mf9A:
undetectable		 6fosA-4mf9A:
14.12
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		4 TRP A 263
MET A 294
GLY A 199
ALA A 265
 None
 0.90A 6fosA-4p1cA:
1.8		 6fosA-4p1cA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A

(Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox) 		4 TRP A 357
GLY A 370
TRP A 373
LEU A 358
 None
 1.09A 6fosA-4p1cA:
1.8		 6fosA-4p1cA:
11.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qik ROQUIN-1

(Homo sapiens) 		no annotation 4 TRP A 184
GLY A 295
ALA A 186
LEU A 183
 CL  A 501 (-4.8A)
None
CL  A 508 (-3.7A)
None
 0.96A 6fosA-4qikA:
undetectable		 6fosA-4qikA:
15.11
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) 		6 TRP A  55
MET A 691
GLY A 696
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 ( 4.1A)
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.65A 6fosA-4rkuA:
43.0		 6fosA-4rkuA:
86.67
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 TRP B  22
MET B 662
TRP B 671
ALA B 699
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.51A 6fosA-4rkuB:
32.7		 6fosA-4rkuB:
7.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txa ROQUIN-1

(Mus musculus) 		PF13445
(zf-RING_UBOX) 		4 TRP A 184
GLY A 295
ALA A 186
LEU A 183
 None
 0.97A 6fosA-4txaA:
2.3		 6fosA-4txaA:
8.88
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.
4ut1 FLAGELLAR
HOOK-ASSOCIATED
PROTEIN

(Burkholderia
pseudomallei) 		PF06429
(Flg_bbr_C) 		4 MET A 135
GLY A 117
ALA A 568
LEU A 571
 None
EDO  A1634 (-3.3A)
None
None
 1.09A 6fosA-4ut1A:
2.9		 6fosA-4ut1A:
8.45
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.
4w87 XYLOGLUCAN-SPECIFIC
ENDO-BETA-1,4-GLUCAN
ASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		4 MET A 243
GLY A 253
ALA A 256
LEU A 260
 None
 1.07A 6fosA-4w87A:
undetectable		 6fosA-4w87A:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		4 MET A 377
GLY A  21
ALA A 176
LEU A  26
 None
 1.02A 6fosA-4wctA:
undetectable		 6fosA-4wctA:
12.40
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.
4ww3 RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		4 TRP A 274
MET A  92
GLY A  45
ALA A 306
 RET  A 401 ( 4.4A)
None
None
None
 0.93A 6fosA-4ww3A:
2.5		 6fosA-4ww3A:
12.86
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		4 TRP A 147
TRP A 300
ALA A 303
LEU A 302
 None
 0.88A 6fosA-4x4jA:
undetectable		 6fosA-4x4jA:
8.96
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.
4z31 ROQUIN-2

(Homo sapiens) 		no annotation 4 TRP A 181
GLY A 292
ALA A 183
LEU A 180
 None
 0.92A 6fosA-4z31A:
undetectable		 6fosA-4z31A:
13.29
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.
4ziu UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF07678
(A2M_comp) 		4 TRP A1144
GLY A1167
ALA A1137
LEU A1486
 None
 1.05A 6fosA-4ziuA:
2.3		 6fosA-4ziuA:
8.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zlc ROQUIN-2

(Homo sapiens) 		no annotation 4 TRP A 181
GLY A 292
ALA A 183
LEU A 180
 None
 0.96A 6fosA-4zlcA:
undetectable		 6fosA-4zlcA:
19.67
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM

(Escherichia
coli) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1) 		4 TRP A1144
GLY A1167
ALA A1137
LEU A1486
 None
 0.95A 6fosA-5a42A:
2.5		 6fosA-5a42A:
4.42
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.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 4 TRP A 319
MET A 183
GLY A 233
LEU A 316
 None
 0.91A 6fosA-5ah1A:
undetectable		 6fosA-5ah1A:
11.72
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.
5c50 AUTOPHAGY-RELATED
PROTEIN 101

(Homo sapiens) 		PF07855
(ATG101) 		4 MET A  21
GLY A  81
ALA A  86
LEU A  87
 None
 0.95A 6fosA-5c50A:
undetectable		 6fosA-5c50A:
16.48
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.
5cx8 LIPOPROTEIN RAGB

(Porphyromonas
gingivalis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TRP A 482
MET A 442
GLY A 476
ALA A 479
 None
 1.07A 6fosA-5cx8A:
2.4		 6fosA-5cx8A:
10.20
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.
5d9a POLYMERASE BASIC
PROTEIN 2
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza C
virus) 		PF00602
(Flu_PB1)
PF00604
(Flu_PB2) 		4 TRP C  38
GLY B 247
ALA B 145
LEU B 146
 None
 0.97A 6fosA-5d9aC:
undetectable		 6fosA-5d9aC:
7.58
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.
5d9a POLYMERASE BASIC
PROTEIN 2
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza C
virus) 		PF00602
(Flu_PB1)
PF00604
(Flu_PB2) 		4 TRP C  38
TRP B 134
ALA B 145
LEU B 146
 None
 0.92A 6fosA-5d9aC:
undetectable		 6fosA-5d9aC:
7.58
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.
5f5f ROQUIN-1

(Mus musculus) 		no annotation 4 TRP A 184
GLY A 295
ALA A 186
LEU A 183
 None
 0.93A 6fosA-5f5fA:
undetectable		 6fosA-5f5fA:
17.75
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.
5gj4 SERINE PROTEASE NS3

(Zika virus) 		PF00949
(Peptidase_S7) 		4 TRP B  83
GLY B 144
ALA B  87
LEU B  85
 None
 1.09A 6fosA-5gj4B:
undetectable		 6fosA-5gj4B:
17.86
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.
5gxj FLAVIVIRUS_NS2B,LINK
ER,PEPTIDASE S7

(Zika virus;
synthetic
construct) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 TRP A1083
GLY A1144
ALA A1087
LEU A1085
 None
 1.00A 6fosA-5gxjA:
undetectable		 6fosA-5gxjA:
14.73
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		4 MET A  79
GLY A  76
ALA A 140
LEU A 143
 None
 1.02A 6fosA-5l2pA:
undetectable		 6fosA-5l2pA:
15.12
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 GLY A 671
TRP A 672
ALA A 667
LEU A 532
 None
 1.00A 6fosA-5nd5A:
undetectable		 6fosA-5nd5A:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngd PORTAL PROTEIN

(Thermus virus
P74-26) 		no annotation 4 MET A  62
GLY A  66
ALA A  71
LEU A  72
 None
 1.02A 6fosA-5ngdA:
undetectable		 6fosA-5ngdA:
11.03
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 6 TRP 1  49
MET 1 684
GLY 1 689
TRP 1 693
ALA 1 717
LEU 1 718
 CLA  1 840 (-4.7A)
CLA  1 802 ( 3.2A)
PQN  1 842 ( 4.3A)
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
 0.62A 6fosA-5oy01:
41.0		 6fosA-5oy01:
73.75
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 A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 TRP b  22
MET b 659
TRP b 668
ALA b 696
LEU b 697
 CLA  b1841 ( 4.0A)
CLA  b1807 ( 3.2A)
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.56A 6fosA-5oy0b:
32.2		 6fosA-5oy0b:
33.67
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.
5oy0 PHOTOSYSTEM I
REACTION CENTER
SUBUNIT III

(Synechocystis
sp. PCC 6803) 		no annotation 4 GLY F 115
TRP F 118
ALA F 121
LEU F 120
 None
 0.97A 6fosA-5oy0F:
2.1		 6fosA-5oy0F:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t1v NS2B-NS3
PROTEASE,NS2B-NS3
PROTEASE

(Zika virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 TRP A 148
GLY A 209
ALA A 152
LEU A 150
 None
 0.99A 6fosA-5t1vA:
undetectable		 6fosA-5t1vA:
13.36
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.
5t3t FUSION PROTEIN OF
NUCLEOPROTEIN AND
MINOR NUCLEOPROTEIN
VP30

(Zaire
ebolavirus) 		PF05505
(Ebola_NP)
PF11507
(Transcript_VP30) 		4 TRP A 230
GLY A 220
ALA A 225
LEU A 226
 None
 0.75A 6fosA-5t3tA:
undetectable		 6fosA-5t3tA:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t3w FUSION PROTEIN OF
NUCLEOPROTEIN AND
MINOR NUCLEOPROTEIN
VP30

(Marburg
marburgvirus) 		PF11507
(Transcript_VP30) 		4 TRP A 237
GLY A 227
ALA A 232
LEU A 233
 None
 0.86A 6fosA-5t3wA:
undetectable		 6fosA-5t3wA:
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 4 MET A 567
GLY A 891
ALA A 883
LEU A 888
 None
 0.97A 6fosA-5u30A:
undetectable		 6fosA-5u30A:
5.50
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.
5vao MINOR NUCLEOPROTEIN
VP30

(Zaire
ebolavirus) 		PF11507
(Transcript_VP30) 		4 TRP A 230
GLY A 220
ALA A 225
LEU A 226
 None
 0.76A 6fosA-5vaoA:
undetectable		 6fosA-5vaoA:
18.40
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.
5vap MINOR NUCLEOPROTEIN
VP30

(Zaire
ebolavirus) 		PF11507
(Transcript_VP30) 		4 TRP A 230
GLY A 220
ALA A 225
LEU A 226
 None
 0.75A 6fosA-5vapA:
undetectable		 6fosA-5vapA:
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 4 GLY A 439
TRP A 382
ALA A 385
LEU A 384
 None
 1.03A 6fosA-5z73A:
2.0		 6fosA-5z73A:
17.28
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.
6a70 -

(-) 		no annotation 4 TRP B3936
GLY B3926
TRP B3922
ALA B3935
 None
 1.05A 6fosA-6a70B:
4.2		 6fosA-6a70B:
undetectable