SIMILAR PATTERNS OF AMINO ACIDS FOR 4FGJ_A_1PQA304_0

List of similar pattern of amino acids derived from ASSAM search

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

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

(Homo sapiens) 		PF06482
(Endostatin) 		4 ILE A 100
PHE A  49
TRP A  83
GLY A  92
 None
 0.77A 4fgjA-1bnlA:
undetectable
4fgjB-1bnlA:
undetectable		 4fgjA-1bnlA:
22.22
4fgjB-1bnlA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		4 ILE A 465
GLY A 444
ASN A 502
GLU A 425
 None
 0.91A 4fgjA-1fokA:
2.5
4fgjB-1fokA:
3.0		 4fgjA-1fokA:
18.06
4fgjB-1fokA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i5a CHEMOTAXIS PROTEIN
CHEA

(Thermotoga
maritima) 		PF02518
(HATPase_c) 		4 PHE A 485
ILE A 460
PHE A 491
GLY A 467
 None
 0.96A 4fgjA-1i5aA:
undetectable
4fgjB-1i5aA:
undetectable		 4fgjA-1i5aA:
21.46
4fgjB-1i5aA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 PHE A 107
ILE A  84
PHE A 130
GLY A 119
 None
 1.00A 4fgjA-1ia5A:
undetectable
4fgjB-1ia5A:
undetectable		 4fgjA-1ia5A:
21.23
4fgjB-1ia5A:
21.23
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.
1jyl CTP:PHOSPHOCHOLINE
CYTIDYLYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00483
(NTP_transferase) 		5 GLN A  42
ILE A  10
PHE A 115
GLY A 161
GLU A 216
 None
None
None
None
MG  A1996 ( 2.6A)
 1.50A 4fgjA-1jylA:
undetectable
4fgjB-1jylA:
undetectable		 4fgjA-1jylA:
21.53
4fgjB-1jylA:
21.53
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.
1k0g P-AMINOBENZOATE
SYNTHASE COMPONENT I

(Escherichia
coli) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 PHE A 260
ILE A 367
GLY A 115
GLU A 119
 None
 0.77A 4fgjA-1k0gA:
undetectable
4fgjB-1k0gA:
undetectable		 4fgjA-1k0gA:
19.43
4fgjB-1k0gA:
19.43
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.
1koe ENDOSTATIN

(Mus musculus) 		PF06482
(Endostatin) 		4 ILE A 231
PHE A 180
TRP A 214
GLY A 223
 None
 1.00A 4fgjA-1koeA:
undetectable
4fgjB-1koeA:
undetectable		 4fgjA-1koeA:
21.86
4fgjB-1koeA:
21.86
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.
1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE

(Acinetobacter
sp.) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ILE A 137
PHE A 171
GLY A 111
GLU A 110
 None
 0.97A 4fgjA-1krhA:
2.9
4fgjB-1krhA:
2.8		 4fgjA-1krhA:
20.81
4fgjB-1krhA:
20.81
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 ILE A 327
PHE A 401
TRP A 563
GLY A 432
 None
 0.94A 4fgjA-1qonA:
undetectable
4fgjB-1qonA:
undetectable		 4fgjA-1qonA:
17.33
4fgjB-1qonA:
17.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ILE A  95
TRP A 353
GLY A 133
ASN A 115
 None
 0.89A 4fgjA-1t4bA:
3.5
4fgjB-1t4bA:
3.5		 4fgjA-1t4bA:
22.50
4fgjB-1t4bA:
22.50
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.
1tkl COPROPORPHYRINOGEN
III OXIDASE

(Saccharomyces
cerevisiae) 		PF01218
(Coprogen_oxidas) 		4 PHE A 212
PHE A 197
GLY A 276
ASN A 270
 None
 0.85A 4fgjA-1tklA:
undetectable
4fgjB-1tklA:
undetectable		 4fgjA-1tklA:
19.64
4fgjB-1tklA:
19.64
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.
1vg0 RAB PROTEINS
GERANYLGERANYLTRANSF
ERASE COMPONENT A 1

(Rattus
norvegicus) 		PF00996
(GDI) 		4 PHE A 370
ILE A 487
GLY A 578
ASN A 581
 None
 0.88A 4fgjA-1vg0A:
2.1
4fgjB-1vg0A:
undetectable		 4fgjA-1vg0A:
19.38
4fgjB-1vg0A:
19.38
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.
1xuv HYPOTHETICAL PROTEIN
MM0500

(Methanosarcina
mazei) 		PF08327
(AHSA1) 		4 GLN A  75
PHE A  85
ILE A  51
PHE A 102
 None
 0.84A 4fgjA-1xuvA:
undetectable
4fgjB-1xuvA:
undetectable		 4fgjA-1xuvA:
22.41
4fgjB-1xuvA:
22.41
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.
1zvd SMAD UBIQUITINATION
REGULATORY FACTOR 2

(Homo sapiens) 		PF00632
(HECT) 		4 PHE A 504
ILE A 626
PHE A 508
GLY A 487
 None
 1.01A 4fgjA-1zvdA:
undetectable
4fgjB-1zvdA:
undetectable		 4fgjA-1zvdA:
20.92
4fgjB-1zvdA:
20.92
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 PHE X 267
ILE X 278
GLY X 288
GLU X  32
 None
 0.92A 4fgjA-2b5dX:
undetectable
4fgjB-2b5dX:
undetectable		 4fgjA-2b5dX:
19.01
4fgjB-2b5dX:
19.01
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 PHE A 107
ILE A  99
PHE A 108
GLY A 144
 None
 0.89A 4fgjA-2bi7A:
4.3
4fgjB-2bi7A:
4.3		 4fgjA-2bi7A:
20.97
4fgjB-2bi7A:
20.97
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.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 420
ILE A 360
PHE A 433
TRP A 409
GLY A 367
 None
 1.22A 4fgjA-2f9qA:
undetectable
4fgjB-2f9qA:
undetectable		 4fgjA-2f9qA:
19.63
4fgjB-2f9qA:
19.63
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.
2gpc IRON SUPEROXIDE
DISMUTASE

(Trypanosoma
cruzi) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 GLN A 193
PHE A  77
PHE A  73
TRP A 126
 None
 1.01A 4fgjA-2gpcA:
undetectable
4fgjB-2gpcA:
undetectable		 4fgjA-2gpcA:
20.92
4fgjB-2gpcA:
20.92
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.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		4 PHE A 126
ILE A 103
PHE A 149
GLY A 138
 None
 0.95A 4fgjA-2iq7A:
undetectable
4fgjB-2iq7A:
undetectable		 4fgjA-2iq7A:
20.92
4fgjB-2iq7A:
20.92
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.
2k1m MYOSIN-BINDING
PROTEIN C,
CARDIAC-TYPE

(Homo sapiens) 		PF07679
(I-set) 		4 PHE A  28
ILE A  48
PHE A  89
GLY A  76
 None
 1.01A 4fgjA-2k1mA:
undetectable
4fgjB-2k1mA:
undetectable		 4fgjA-2k1mA:
21.36
4fgjB-2k1mA:
21.36
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.
2k2w RECOMBINATION AND
DNA REPAIR PROTEIN

(Xenopus laevis) 		PF16508
(NIBRIN_BRCT_II) 		4 PHE A 225
ILE A 302
PHE A 220
GLY A 308
 None
 1.02A 4fgjA-2k2wA:
undetectable
4fgjB-2k2wA:
undetectable		 4fgjA-2k2wA:
19.83
4fgjB-2k2wA:
19.83
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.
2po3 4-DEHYDRASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		4 PHE A1330
ILE A1300
GLY A1149
ASN A1125
 None
 0.90A 4fgjA-2po3A:
undetectable
4fgjB-2po3A:
undetectable		 4fgjA-2po3A:
19.04
4fgjB-2po3A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v6g PROGESTERONE
5-BETA-REDUCTASE

(Digitalis
lanata) 		PF01370
(Epimerase) 		4 ILE A  37
TRP A 284
GLY A 204
ASN A 278
 NAP  A1390 (-4.0A)
None
NAP  A1390 (-4.5A)
None
 0.92A 4fgjA-2v6gA:
7.3
4fgjB-2v6gA:
7.3		 4fgjA-2v6gA:
22.51
4fgjB-2v6gA:
22.51
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.
2wbn TERMINASE LARGE
SUBUNIT

(Bacillus phage
SPP1) 		PF17288
(Terminase_3C) 		4 PHE A 377
ILE A 288
PHE A 240
GLY A 353
 None
 0.99A 4fgjA-2wbnA:
undetectable
4fgjB-2wbnA:
undetectable		 4fgjA-2wbnA:
20.63
4fgjB-2wbnA:
20.63
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.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		4 GLN A 348
ILE A 397
TRP A 129
ASN A 145
 None
 0.99A 4fgjA-2wknA:
undetectable
4fgjB-2wknA:
undetectable		 4fgjA-2wknA:
20.39
4fgjB-2wknA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wl3 CATECHOL
2,3-DIOXYGENASE

(Rhodococcus sp.
DK17) 		PF00903
(Glyoxalase) 		4 ILE A  65
TRP A  48
GLY A 148
ASN A 193
 None
 0.83A 4fgjA-2wl3A:
undetectable
4fgjB-2wl3A:
undetectable		 4fgjA-2wl3A:
21.88
4fgjB-2wl3A:
21.88
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.
2y7l AGGLUTININ-LIKE ALS9
PROTEIN

(Candida
albicans) 		PF11766
(Candida_ALS_N) 		4 ILE A 173
GLY A 121
ASN A 213
GLU A  27
 None
 0.90A 4fgjA-2y7lA:
undetectable
4fgjB-2y7lA:
undetectable		 4fgjA-2y7lA:
20.77
4fgjB-2y7lA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zai OLIGOSACCHARYL
TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 4 GLN A 817
ILE A 764
GLY A 761
ASN A 709
 None
 0.99A 4fgjA-2zaiA:
undetectable
4fgjB-2zaiA:
undetectable		 4fgjA-2zaiA:
18.11
4fgjB-2zaiA:
18.11
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.
3ab4 ASPARTOKINASE
ASPARTOKINASE

(Corynebacterium
glutamicum;
Corynebacterium
glutamicum) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7)
PF01842
(ACT)
PF13840
(ACT_7) 		4 ILE A 385
GLY A 359
ASN B  43
GLU A 363
 None
LYS  A 601 ( 4.7A)
LYS  A 601 (-3.3A)
None
 1.01A 4fgjA-3ab4A:
2.5
4fgjB-3ab4A:
2.6		 4fgjA-3ab4A:
18.40
4fgjB-3ab4A:
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.
3c5i CHOLINE KINASE

(Plasmodium
knowlesi) 		PF01633
(Choline_kinase) 		4 PHE A 267
ILE A 257
PHE A 339
GLY A 323
 None
CA  A 371 (-4.4A)
None
None
 0.71A 4fgjA-3c5iA:
undetectable
4fgjB-3c5iA:
undetectable		 4fgjA-3c5iA:
18.11
4fgjB-3c5iA:
18.11
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.
3e8j COPROPORPHYRINOGEN
III OXIDASE

(Leishmania
naiffi) 		PF01218
(Coprogen_oxidas) 		4 PHE A 187
PHE A 172
GLY A 251
ASN A 245
 None
None
None
ACT  A 302 (-3.1A)
 0.91A 4fgjA-3e8jA:
undetectable
4fgjB-3e8jA:
undetectable		 4fgjA-3e8jA:
22.29
4fgjB-3e8jA:
22.29
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.
3esf IRON-CONTAINING
SUPEROXIDE DISMUTASE
B2

(Trypanosoma
brucei) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 GLN A 194
PHE A  78
PHE A  74
TRP A 127
 None
 0.94A 4fgjA-3esfA:
undetectable
4fgjB-3esfA:
undetectable		 4fgjA-3esfA:
21.07
4fgjB-3esfA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1s SUPEROXIDE DISMUTASE

(Francisella
tularensis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 GLN A 189
PHE A  76
PHE A  72
TRP A 124
 None
 1.00A 4fgjA-3h1sA:
undetectable
4fgjB-3h1sA:
undetectable		 4fgjA-3h1sA:
23.60
4fgjB-3h1sA:
23.60
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLN A 364
ILE A 367
PHE A 357
GLY A 251
 None
 0.96A 4fgjA-3ho8A:
undetectable
4fgjB-3ho8A:
undetectable		 4fgjA-3ho8A:
12.42
4fgjB-3ho8A:
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		4 ILE A 713
PHE A 746
GLY A 706
GLU A 708
 None
 1.00A 4fgjA-3j9dA:
undetectable
4fgjB-3j9dA:
undetectable		 4fgjA-3j9dA:
13.67
4fgjB-3j9dA:
13.67
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.
3jvg T-CELL SURFACE
GLYCOPROTEIN CD1A1
ANTIGEN

(Gallus gallus) 		PF07654
(C1-set)
PF16497
(MHC_I_3) 		4 ILE A  65
PHE A 170
TRP A  52
GLY A  29
 UNL  A   1 ( 4.4A)
None
None
UNL  A   1 ( 3.8A)
 0.99A 4fgjA-3jvgA:
undetectable
4fgjB-3jvgA:
undetectable		 4fgjA-3jvgA:
18.47
4fgjB-3jvgA:
18.47
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.
3k21 CALCIUM-DEPENDENT
PROTEIN KINASE 3

(Plasmodium
falciparum) 		PF13499
(EF-hand_7) 		4 ILE A 104
PHE A  89
GLY A  77
GLU A  63
 None
 0.89A 4fgjA-3k21A:
undetectable
4fgjB-3k21A:
undetectable		 4fgjA-3k21A:
22.31
4fgjB-3k21A:
22.31
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.
3lzd DPH2

(Pyrococcus
horikoshii) 		PF01866
(Diphthamide_syn) 		4 ILE A  75
GLY A  39
ASN A  44
GLU A  35
 None
 1.02A 4fgjA-3lzdA:
2.6
4fgjB-3lzdA:
2.6		 4fgjA-3lzdA:
22.25
4fgjB-3lzdA:
22.25
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.
3mcz O-METHYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 GLN A 204
PHE A 231
ILE A 181
GLY A 243
 None
 1.00A 4fgjA-3mczA:
2.2
4fgjB-3mczA:
2.1		 4fgjA-3mczA:
23.27
4fgjB-3mczA:
23.27
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.
3mor CATHEPSIN B-LIKE
CYSTEINE PROTEASE

(Trypanosoma
brucei) 		PF00112
(Peptidase_C1) 		4 GLN A 207
PHE A 208
GLY A 201
ASN A 305
 None
 0.95A 4fgjA-3morA:
undetectable
4fgjB-3morA:
undetectable		 4fgjA-3morA:
20.00
4fgjB-3morA:
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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN

(Sinorhizobium
meliloti) 		PF00278
(Orn_DAP_Arg_deC) 		4 ILE A 227
PHE A 173
GLY A 198
ASN A 163
 None
None
SO4  A 401 (-3.6A)
None
 1.02A 4fgjA-3mt1A:
undetectable
4fgjB-3mt1A:
undetectable		 4fgjA-3mt1A:
21.74
4fgjB-3mt1A:
21.74
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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN

(Sinorhizobium
meliloti) 		PF00278
(Orn_DAP_Arg_deC) 		4 PHE A 212
PHE A 173
GLY A 197
ASN A 163
 None
 1.01A 4fgjA-3mt1A:
undetectable
4fgjB-3mt1A:
undetectable		 4fgjA-3mt1A:
21.74
4fgjB-3mt1A:
21.74
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.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		4 GLN A  57
PHE A  63
ILE A  54
GLY A 388
 None
 0.78A 4fgjA-3om5A:
undetectable
4fgjB-3om5A:
undetectable		 4fgjA-3om5A:
18.06
4fgjB-3om5A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oyo HEMOPEXIN FOLD
PROTEIN CP4

(Vigna
unguiculata) 		PF00045
(Hemopexin) 		4 PHE A  10
ILE A  86
PHE A  21
GLY A  50
 None
 1.00A 4fgjA-3oyoA:
undetectable
4fgjB-3oyoA:
undetectable		 4fgjA-3oyoA:
22.05
4fgjB-3oyoA:
22.05
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.
3p3l CYTOCHROME P450

(Streptomyces
thioluteus) 		PF00067
(p450) 		4 GLN A  91
PHE A  89
PHE A  85
GLY A 176
 HEM  A 501 (-4.3A)
None
None
None
 0.65A 4fgjA-3p3lA:
undetectable
4fgjB-3p3lA:
undetectable		 4fgjA-3p3lA:
21.12
4fgjB-3p3lA:
21.12
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ILE A  94
TRP A 353
GLY A 132
ASN A 114
 None
 0.92A 4fgjA-3pzrA:
2.6
4fgjB-3pzrA:
3.1		 4fgjA-3pzrA:
22.22
4fgjB-3pzrA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qc2 GLYCOSYL HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		4 ILE A 348
TRP A  36
GLY A  40
ASN A  31
 None
 0.99A 4fgjA-3qc2A:
undetectable
4fgjB-3qc2A:
undetectable		 4fgjA-3qc2A:
23.55
4fgjB-3qc2A:
23.55
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 ILE A  18
PHE A 213
TRP A  87
GLY A  83
ASN A 218
 None
 1.43A 4fgjA-3t8iA:
3.7
4fgjB-3t8iA:
3.1		 4fgjA-3t8iA:
22.26
4fgjB-3t8iA:
22.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		4 TRP A 105
GLY A 149
ASN A 161
GLU A 193
 FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
None
FAD  A 232 ( 3.1A)
 0.09A 4fgjA-3te7A:
39.1
4fgjB-3te7A:
39.7		 4fgjA-3te7A:
98.28
4fgjB-3te7A:
98.28
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ILE A  94
TRP A 357
GLY A 132
ASN A 114
 None
 0.90A 4fgjA-3uw3A:
3.5
4fgjB-3uw3A:
3.5		 4fgjA-3uw3A:
21.23
4fgjB-3uw3A:
21.23
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.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 GLN A 230
GLY A 225
ASN A 341
GLU A 234
 None
 1.01A 4fgjA-3v4pA:
undetectable
4fgjB-3v4pA:
undetectable		 4fgjA-3v4pA:
17.03
4fgjB-3v4pA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu1 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0242

(Pyrococcus
horikoshii) 		no annotation 4 GLN A 823
ILE A 770
GLY A 767
ASN A 715
 None
 0.92A 4fgjA-3vu1A:
undetectable
4fgjB-3vu1A:
undetectable		 4fgjA-3vu1A:
17.91
4fgjB-3vu1A:
17.91
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.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 PHE A 180
ILE A 173
GLY A 281
GLU A 208
 None
 0.98A 4fgjA-4c23A:
undetectable
4fgjB-4c23A:
undetectable		 4fgjA-4c23A:
20.82
4fgjB-4c23A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4crm TRANSLATION
INITIATION FACTOR
RLI1

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI) 		4 GLN P  71
ILE P  10
GLY P 296
ASN P  78
 None
 0.90A 4fgjA-4crmP:
undetectable
4fgjB-4crmP:
undetectable		 4fgjA-4crmP:
16.26
4fgjB-4crmP:
16.26
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.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 PHE A 379
ILE A 303
PHE A 264
GLY A 221
 None
 1.01A 4fgjA-4dqdA:
4.5
4fgjB-4dqdA:
undetectable		 4fgjA-4dqdA:
20.32
4fgjB-4dqdA:
20.32
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.
4e6u ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Acinetobacter
baumannii) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 ILE A  31
TRP A  82
GLY A  68
GLU A  69
 None
None
None
SO4  A 302 ( 4.3A)
 0.98A 4fgjA-4e6uA:
undetectable
4fgjB-4e6uA:
undetectable		 4fgjA-4e6uA:
21.30
4fgjB-4e6uA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		4 PHE A 191
PHE A 192
TRP A 209
GLY A 146
 None
 0.87A 4fgjA-4gl3A:
undetectable
4fgjB-4gl3A:
undetectable		 4fgjA-4gl3A:
18.55
4fgjB-4gl3A:
18.55
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.
4guz PROBABLE ARYLAMINE
N-ACETYL TRANSFERASE

(Mycobacteroides
abscessus) 		PF00797
(Acetyltransf_2) 		4 PHE A 215
PHE A 210
TRP A  42
GLU A 169
 None
 0.84A 4fgjA-4guzA:
undetectable
4fgjB-4guzA:
undetectable		 4fgjA-4guzA:
21.28
4fgjB-4guzA:
21.28
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.
4hh2 TRANSCRIPTIONAL
REGULATOR, PPSR

(Rhodobacter
sphaeroides) 		PF13188
(PAS_8)
PF13426
(PAS_9) 		5 PHE A 317
ILE A 314
PHE A 297
GLY A 292
ASN A 294
 None
 1.47A 4fgjA-4hh2A:
undetectable
4fgjB-4hh2A:
undetectable		 4fgjA-4hh2A:
20.47
4fgjB-4hh2A:
20.47
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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 PHE A  75
ILE A  38
PHE A  76
GLY A  65
GLU A 268
 None
None
None
SAM  A 504 (-4.2A)
None
 1.49A 4fgjA-4k37A:
undetectable
4fgjB-4k37A:
undetectable		 4fgjA-4k37A:
19.19
4fgjB-4k37A:
19.19
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.
4ky9 BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF07565
(Band_3_cyto) 		4 GLN A 191
ILE A 276
GLY A 232
GLU A  63
 None
 0.97A 4fgjA-4ky9A:
undetectable
4fgjB-4ky9A:
undetectable		 4fgjA-4ky9A:
22.12
4fgjB-4ky9A:
22.12
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.
4lq0 LAGLIDADG HOMING
ENDONUCLEASE

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		4 PHE A  96
ILE A  60
PHE A  97
GLY A  17
 None
 0.85A 4fgjA-4lq0A:
undetectable
4fgjB-4lq0A:
undetectable		 4fgjA-4lq0A:
23.47
4fgjB-4lq0A:
23.47
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 GLN A 523
ILE A 421
GLY A 404
ASN A 413
 None
 1.02A 4fgjA-4p08A:
2.2
4fgjB-4p08A:
2.2		 4fgjA-4p08A:
18.55
4fgjB-4p08A:
18.55
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.
4pfy ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 ILE A 554
PHE A 516
TRP A 265
GLY A 547
ASN A 247
 None
 1.47A 4fgjA-4pfyA:
undetectable
4fgjB-4pfyA:
undetectable		 4fgjA-4pfyA:
18.28
4fgjB-4pfyA:
18.28
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		4 GLN A 553
ILE A 485
PHE A 146
GLU A 467
 None
 1.02A 4fgjA-4pxqA:
undetectable
4fgjB-4pxqA:
undetectable		 4fgjA-4pxqA:
18.54
4fgjB-4pxqA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6y PUTATIVE
2-AMINOETHYLPHOSPHON
ATE-BINDING
PERIPLASMIC PROTEIN

(Salmonella
enterica) 		PF13343
(SBP_bac_6) 		4 GLN A 153
ILE A 210
GLY A 199
ASN A 220
 None
 0.99A 4fgjA-4r6yA:
undetectable
4fgjB-4r6yA:
undetectable		 4fgjA-4r6yA:
22.22
4fgjB-4r6yA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4raj HEME OXYGENASE

(Chlamydomonas
reinhardtii) 		PF01126
(Heme_oxygenase) 		4 GLN A 144
PHE A  61
PHE A  96
GLY A 152
 PG6  A 301 (-4.1A)
None
None
None
 0.90A 4fgjA-4rajA:
undetectable
4fgjB-4rajA:
undetectable		 4fgjA-4rajA:
22.22
4fgjB-4rajA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 GLN A 150
PHE A 152
TRP A 444
GLY A 421
 BGC  A 707 ( 4.6A)
BGC  A 707 (-4.9A)
None
None
 0.95A 4fgjA-4tz5A:
undetectable
4fgjB-4tz5A:
undetectable		 4fgjA-4tz5A:
17.74
4fgjB-4tz5A:
17.74
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ILE A  50
GLY A  14
ASN A 513
GLU A  36
 None
FAD  A 700 (-3.2A)
FAD  A 700 (-4.0A)
FAD  A 700 (-2.7A)
 0.95A 4fgjA-4udrA:
2.3
4fgjB-4udrA:
undetectable		 4fgjA-4udrA:
18.63
4fgjB-4udrA:
18.63
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.
4v03 SITE-DETERMINING
PROTEIN

(Aquifex
aeolicus) 		PF01656
(CbiA) 		4 ILE A   7
GLY A  12
ASN A 145
GLU A 127
 None
ADP  A 303 ( 4.0A)
None
None
 1.01A 4fgjA-4v03A:
5.7
4fgjB-4v03A:
5.8		 4fgjA-4v03A:
22.76
4fgjB-4v03A:
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 ILE A 266
PHE A 190
GLY A 210
GLU A 518
 None
 0.94A 4fgjA-4wboA:
undetectable
4fgjB-4wboA:
undetectable		 4fgjA-4wboA:
17.34
4fgjB-4wboA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ILE A 265
GLY A 397
ASN A 358
GLU A 371
 None
 0.97A 4fgjA-4xb3A:
undetectable
4fgjB-4xb3A:
undetectable		 4fgjA-4xb3A:
18.03
4fgjB-4xb3A:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yb9 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Bos taurus) 		PF00083
(Sugar_tr) 		4 GLN D 434
ILE D 303
PHE D 445
GLY D 427
 None
 1.00A 4fgjA-4yb9D:
undetectable
4fgjB-4yb9D:
undetectable		 4fgjA-4yb9D:
19.07
4fgjB-4yb9D:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yeh LECTIN

(Cicer arietinum) 		PF00045
(Hemopexin) 		4 PHE A 124
ILE A 196
PHE A 135
GLY A 160
 None
 0.90A 4fgjA-4yehA:
undetectable
4fgjB-4yehA:
undetectable		 4fgjA-4yehA:
21.96
4fgjB-4yehA:
21.96
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.
5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED

(Bacteroides
thetaiotaomicron) 		PF04041
(Glyco_hydro_130) 		4 ILE B 345
TRP B  33
GLY B  37
ASN B  28
 None
 0.98A 4fgjA-5a7vB:
undetectable
4fgjB-5a7vB:
undetectable		 4fgjA-5a7vB:
19.79
4fgjB-5a7vB:
19.79
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.
5apg TSR3

(Vulcanisaeta
distributa) 		PF04034
(Ribo_biogen_C) 		4 ILE A 109
TRP A 138
GLY A 105
ASN A 146
 None
 1.01A 4fgjA-5apgA:
undetectable
4fgjB-5apgA:
undetectable		 4fgjA-5apgA:
22.51
4fgjB-5apgA:
22.51
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.
5bnt ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		no annotation 4 ILE C  95
TRP C 354
GLY C 133
ASN C 115
 None
 0.95A 4fgjA-5bntC:
3.6
4fgjB-5bntC:
3.9		 4fgjA-5bntC:
21.19
4fgjB-5bntC:
21.19
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.
5bwa ORNITHINE
DECARBOXYLASE

(Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 GLN A 341
ILE A  28
GLY A 378
ASN A 319
 None
 0.97A 4fgjA-5bwaA:
undetectable
4fgjB-5bwaA:
undetectable		 4fgjA-5bwaA:
19.87
4fgjB-5bwaA:
19.87
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.
5djw ALPHA-GLUCOSIDASE II

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 GLN A 585
ILE A 203
PHE A 243
GLY A 177
 None
 0.97A 4fgjA-5djwA:
undetectable
4fgjB-5djwA:
undetectable		 4fgjA-5djwA:
15.80
4fgjB-5djwA:
15.80
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.
5eo6 COPROPORPHYRINOGEN
OXIDASE

(Acinetobacter
baumannii) 		PF01218
(Coprogen_oxidas) 		4 PHE A 195
PHE A 180
GLY A 259
ASN A 253
 None
None
None
ACT  A 400 (-3.1A)
 0.85A 4fgjA-5eo6A:
undetectable
4fgjB-5eo6A:
undetectable		 4fgjA-5eo6A:
20.37
4fgjB-5eo6A:
20.37
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.
5f0p SORTING NEXIN-3

(Homo sapiens) 		PF00787
(PX) 		4 GLN C 100
ILE C 109
GLY C  94
GLU C  75
 SO4  C 202 (-3.3A)
SO4  C 202 (-4.4A)
None
None
 1.02A 4fgjA-5f0pC:
undetectable
4fgjB-5f0pC:
undetectable		 4fgjA-5f0pC:
20.25
4fgjB-5f0pC:
20.25
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.
5ie2 OXALATE--COA LIGASE

(Arabidopsis
thaliana) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A  73
PHE A  69
GLY A 217
ASN A  65
 None
 0.98A 4fgjA-5ie2A:
4.0
4fgjB-5ie2A:
4.0		 4fgjA-5ie2A:
17.37
4fgjB-5ie2A:
17.37
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.
5ikg DYE-DECOLORIZING
PEROXIDASE

(Auricularia
auricula-judae) 		PF04261
(Dyp_perox) 		4 ILE A  13
PHE A 435
TRP A 207
GLY A 196
 None
 0.98A 4fgjA-5ikgA:
undetectable
4fgjB-5ikgA:
undetectable		 4fgjA-5ikgA:
21.83
4fgjB-5ikgA:
21.83
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.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE

(Oscillatoria
sp.) 		PF11266
(Ald_deCOase) 		4 ILE A 204
GLY A 211
ASN A 217
GLU A 152
 None
 1.02A 4fgjA-5k53A:
undetectable
4fgjB-5k53A:
undetectable		 4fgjA-5k53A:
18.55
4fgjB-5k53A:
18.55
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.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		4 PHE A 208
ILE A 361
PHE A 210
GLY A 162
 None
 1.01A 4fgjA-5l2rA:
undetectable
4fgjB-5l2rA:
undetectable		 4fgjA-5l2rA:
17.58
4fgjB-5l2rA:
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.
5mlh -

(-) 		no annotation 4 ILE A  37
TRP A 284
GLY A 204
ASN A 278
 NAP  A 404 (-4.0A)
None
NAP  A 404 (-4.5A)
None
 0.81A 4fgjA-5mlhA:
7.1
4fgjB-5mlhA:
6.9		 4fgjA-5mlhA:
undetectable
4fgjB-5mlhA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nge UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		no annotation 4 PHE A 409
ILE A 419
GLY A 458
ASN A 512
 8WK  A 601 (-3.8A)
None
None
None
 0.95A 4fgjA-5ngeA:
undetectable
4fgjB-5ngeA:
undetectable		 4fgjA-5ngeA:
22.06
4fgjB-5ngeA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ILE A4294
GLY A4322
ASN A4325
GLU A4637
 None
 0.96A 4fgjA-5nugA:
undetectable
4fgjB-5nugA:
undetectable		 4fgjA-5nugA:
4.40
4fgjB-5nugA:
4.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t8u LIPOATE-PROTEIN
LIGASE 1

(Plasmodium
falciparum) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		4 GLN A 295
GLY A 107
ASN A 152
GLU A  86
 None
LPA  A 401 (-4.2A)
LPA  A 401 (-4.6A)
None
 0.92A 4fgjA-5t8uA:
undetectable
4fgjB-5t8uA:
undetectable		 4fgjA-5t8uA:
20.38
4fgjB-5t8uA:
20.38
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.
5tjf ALLOPHYCOCYANIN
ALPHA SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		4 GLN A 161
ILE A 123
GLY A 129
GLU A 128
 None
None
CYC  A 201 ( 4.6A)
None
 0.96A 4fgjA-5tjfA:
undetectable
4fgjB-5tjfA:
undetectable		 4fgjA-5tjfA:
20.85
4fgjB-5tjfA:
20.85
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.
5tpv WLARA,
TDP-FUCOSE-3,4-KETOI
SOMERASE

(Campylobacter
jejuni) 		PF05523
(FdtA) 		4 PHE A  56
ILE A  93
PHE A  58
GLY A  47
 None
None
None
TYD  A 201 (-3.5A)
 0.96A 4fgjA-5tpvA:
undetectable
4fgjB-5tpvA:
undetectable		 4fgjA-5tpvA:
20.43
4fgjB-5tpvA:
20.43
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.
5xvn CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Enterococcus
faecalis) 		PF01867
(Cas_Cas1) 		4 PHE A 156
PHE A 164
GLY A 175
ASN A 170
 None
 0.89A 4fgjA-5xvnA:
undetectable
4fgjB-5xvnA:
undetectable		 4fgjA-5xvnA:
22.37
4fgjB-5xvnA:
22.37
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.
5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 PHE B 194
ILE B 217
PHE B 195
GLY B 110
 None
None
None
FAD  B 401 (-3.2A)
 0.98A 4fgjA-5y6qB:
undetectable
4fgjB-5y6qB:
undetectable		 4fgjA-5y6qB:
undetectable
4fgjB-5y6qB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yq5 OSTEOMODULIN

(Homo sapiens) 		no annotation 4 PHE A 296
ILE A 272
GLY A 288
ASN A 340
 None
 0.95A 4fgjA-5yq5A:
undetectable
4fgjB-5yq5A:
undetectable		 4fgjA-5yq5A:
undetectable
4fgjB-5yq5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 PHE A 110
ILE A  18
GLY A  47
ASN A 102
 None
None
FAD  A 501 (-3.2A)
None
 1.03A 4fgjA-6aonA:
3.1
4fgjB-6aonA:
undetectable		 4fgjA-6aonA:
16.80
4fgjB-6aonA:
16.80
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.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 PHE A 292
ILE A 277
TRP A 315
GLY A 285
 None
 0.97A 4fgjA-6aphA:
4.7
4fgjB-6aphA:
undetectable		 4fgjA-6aphA:
20.99
4fgjB-6aphA:
20.99
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.
6bac ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		no annotation 4 ILE A  95
TRP A 354
GLY A 133
ASN A 115
 None
 0.95A 4fgjA-6bacA:
3.7
4fgjB-6bacA:
3.6		 4fgjA-6bacA:
20.67
4fgjB-6bacA:
20.67
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A 754
ILE A 742
GLY A 773
GLU A 775
 None
 1.02A 4fgjA-6eojA:
undetectable
4fgjB-6eojA:
undetectable		 4fgjA-6eojA:
11.49
4fgjB-6eojA:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 PHE A2532
PHE A2453
TRP A2465
GLY A2423
 None
 0.79A 4fgjA-6fb3A:
undetectable
4fgjB-6fb3A:
undetectable		 4fgjA-6fb3A:
undetectable
4fgjB-6fb3A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g42 MINOR CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 4 GLN A 186
PHE A 165
PHE A 154
GLY A 106
 None
 0.99A 4fgjA-6g42A:
undetectable
4fgjB-6g42A:
undetectable		 4fgjA-6g42A:
undetectable
4fgjB-6g42A:
undetectable