SIMILAR PATTERNS OF AMINO ACIDS FOR 4XMF_A_HSMA202_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.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus) 		PF00704
(Glyco_hydro_18) 		3 ASP A  39
LEU A  30
GLY A  35
 ASP  A  39 ( 0.5A)
LEU  A  30 ( 0.6A)
GLY  A  35 ( 0.0A)
 0.57A 4xmfA-1c8xA:
0.0		 4xmfA-1c8xA:
21.56
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.
1ev1 ECHOVIRUS 1

(Enterovirus B) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.41A 4xmfA-1ev12:
0.0		 4xmfA-1ev12:
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		3 ASP A 334
LEU A  21
GLY A  20
 None
 0.52A 4xmfA-1fc4A:
0.0		 4xmfA-1fc4A:
16.06
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		3 ASP A 402
LEU A 343
GLY A 342
 None
 0.54A 4xmfA-1h17A:
0.0		 4xmfA-1h17A:
14.00
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.
1k9x M32 CARBOXYPEPTIDASE

(Pyrococcus
furiosus) 		PF02074
(Peptidase_M32) 		3 ASP A 188
LEU A 395
GLY A 396
 None
 0.53A 4xmfA-1k9xA:
0.0		 4xmfA-1k9xA:
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		3 ASP A 638
LEU A 629
GLY A 630
 None
 0.53A 4xmfA-1kwgA:
0.0		 4xmfA-1kwgA:
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.
1mhy METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		3 ASP B  97
LEU B  70
GLY B  69
 None
 0.57A 4xmfA-1mhyB:
undetectable		 4xmfA-1mhyB:
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.
1np8 CALCIUM-DEPENDENT
PROTEASE, SMALL
SUBUNIT

(Rattus
norvegicus) 		PF13833
(EF-hand_8) 		3 ASP A  70
LEU A  75
GLY A  76
 CD  A 700 (-2.7A)
None
None
 0.56A 4xmfA-1np8A:
undetectable		 4xmfA-1np8A:
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.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		3 ASP A 242
LEU A 102
GLY A 103
 None
 0.56A 4xmfA-1nxzA:
0.0		 4xmfA-1nxzA:
21.03
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		3 ASP A  49
LEU A  97
GLY A  12
 None
 0.50A 4xmfA-1p8rA:
undetectable		 4xmfA-1p8rA:
20.45
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.
1rhi HUMAN RHINOVIRUS 3
COAT PROTEIN

(Rhinovirus B) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.54A 4xmfA-1rhi2:
0.0		 4xmfA-1rhi2:
22.64
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.
1suv TRANSFERRIN RECEPTOR
PROTEIN 1

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		3 ASP A 457
LEU A 566
GLY A 567
 None
 0.50A 4xmfA-1suvA:
undetectable		 4xmfA-1suvA:
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.
1te2 2-DEOXYGLUCOSE-6-P
PHOSPHATASE

(Escherichia
coli) 		PF13419
(HAD_2) 		3 ASP A  13
LEU A  50
GLY A  51
 PGA  A 711 ( 2.4A)
None
PGA  A 711 (-3.3A)
 0.48A 4xmfA-1te2A:
undetectable		 4xmfA-1te2A:
19.91
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.
1uyo NALP

(Neisseria
meningitidis) 		PF03797
(Autotransporter) 		3 ASP X 958
LEU X 805
GLY X 802
 None
 0.54A 4xmfA-1uyoX:
undetectable		 4xmfA-1uyoX:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae) 		PF00491
(Arginase) 		3 ASP A  89
LEU A 123
GLY A  49
 None
 0.53A 4xmfA-1xfkA:
undetectable		 4xmfA-1xfkA:
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.
1xtz RIBOSE-5-PHOSPHATE
ISOMERASE

(Saccharomyces
cerevisiae) 		PF06026
(Rib_5-P_isom_A) 		3 ASP A 209
LEU A 126
GLY A 121
 None
 0.57A 4xmfA-1xtzA:
undetectable		 4xmfA-1xtzA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.56A 4xmfA-1z7s2:
undetectable		 4xmfA-1z7s2:
18.91
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.
1z9f SINGLE-STRAND
BINDING PROTEIN

(Thermotoga
maritima) 		PF00436
(SSB) 		3 ASP A 108
LEU A  13
GLY A  72
 None
 0.57A 4xmfA-1z9fA:
undetectable		 4xmfA-1z9fA:
16.40
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.
1zcl PROTEIN TYROSINE
PHOSPHATASE 4A1

(Rattus
norvegicus) 		PF00782
(DSPc) 		3 ASP A  72
LEU A 108
GLY A 109
 SO4  A4398 (-4.1A)
SO4  A4398 (-4.2A)
SO4  A4398 (-3.1A)
 0.57A 4xmfA-1zclA:
undetectable		 4xmfA-1zclA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		3 ASP A 307
LEU A 459
GLY A 458
 None
 0.57A 4xmfA-2aaaA:
undetectable		 4xmfA-2aaaA:
15.90
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		3 ASP A 417
LEU A 335
GLY A 334
 None
 0.58A 4xmfA-2aafA:
undetectable		 4xmfA-2aafA:
16.43
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.
2aby HYPOTHETICAL PROTEIN
TA0743

(Thermoplasma
acidophilum) 		PF09406
(DUF2004) 		3 ASP A  35
LEU A  60
GLY A   4
 None
 0.54A 4xmfA-2abyA:
undetectable		 4xmfA-2abyA:
22.28
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.
2dbo D-TYROSYL-TRNA(TYR)
DEACYLASE

(Aquifex
aeolicus) 		PF02580
(Tyr_Deacylase) 		3 ASP A  37
LEU A  31
GLY A  32
 None
 0.52A 4xmfA-2dboA:
undetectable		 4xmfA-2dboA:
18.97
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.
2ep6 MCTP2 PROTEIN

(Homo sapiens) 		PF00168
(C2) 		3 ASP A 154
LEU A 126
GLY A 127
 None
 0.51A 4xmfA-2ep6A:
undetectable		 4xmfA-2ep6A:
23.56
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 ASP A 676
LEU A 632
GLY A 633
 None
 0.55A 4xmfA-2gahA:
undetectable		 4xmfA-2gahA:
10.50
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.
2gh9 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Thermus
thermophilus) 		PF13416
(SBP_bac_8) 		3 ASP A  90
LEU A 296
GLY A 293
 None
 0.55A 4xmfA-2gh9A:
undetectable		 4xmfA-2gh9A:
19.41
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.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		3 ASP A 213
LEU A 192
GLY A 191
 None
 0.38A 4xmfA-2hk7A:
undetectable		 4xmfA-2hk7A:
22.10
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.
2imr HYPOTHETICAL PROTEIN
DR_0824

(Deinococcus
radiodurans) 		PF01979
(Amidohydro_1) 		3 ASP A 226
LEU A 290
GLY A 291
 None
 0.26A 4xmfA-2imrA:
undetectable		 4xmfA-2imrA:
16.49
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.
2lht CELLOPHANE-INDUCED
PROTEIN 1

(Venturia
inaequalis) 		no annotation 3 ASP A  94
LEU A 100
GLY A 101
 None
 0.45A 4xmfA-2lhtA:
undetectable		 4xmfA-2lhtA:
23.26
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.
2o6f 34 KDA MEMBRANE
ANTIGEN

(Treponema
pallidum) 		PF10634
(Iron_transport) 		3 ASP A  68
LEU A 135
GLY A 134
 EDO  A 401 (-2.8A)
None
None
 0.47A 4xmfA-2o6fA:
undetectable		 4xmfA-2o6fA:
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.
2okv PROBABLE
D-TYROSYL-TRNA(TYR)
DEACYLASE 1

(Homo sapiens) 		PF02580
(Tyr_Deacylase) 		3 ASP A  37
LEU A  31
GLY A  32
 None
 0.57A 4xmfA-2okvA:
undetectable		 4xmfA-2okvA:
18.01
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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		3 ASP A 294
LEU A 329
GLY A 326
 None
 0.48A 4xmfA-2qa1A:
undetectable		 4xmfA-2qa1A:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		3 ASP A 294
LEU A 329
GLY A 326
 None
 0.54A 4xmfA-2qa2A:
undetectable		 4xmfA-2qa2A:
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.
2qtv SMALL COPII COAT
GTPASE SAR1

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		3 ASP B 114
LEU B 151
GLY B 150
 None
 0.57A 4xmfA-2qtvB:
undetectable		 4xmfA-2qtvB:
21.78
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.
2r14 MORPHINONE REDUCTASE

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		3 ASP A 318
LEU A  11
GLY A  10
 None
 0.41A 4xmfA-2r14A:
undetectable		 4xmfA-2r14A:
19.02
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.
2rs5 HUMAN RHINOVIRUS 14
COAT PROTEIN
(SUBUNIT VP2)

(Rhinovirus B) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.48A 4xmfA-2rs52:
undetectable		 4xmfA-2rs52:
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.
2taa TAKA-AMYLASE A

(Aspergillus
oryzae) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		3 ASP A 117
LEU A 250
GLY A 229
 None
 0.50A 4xmfA-2taaA:
undetectable		 4xmfA-2taaA:
16.32
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 ASP A 226
LEU A 220
GLY A 221
 None
 0.56A 4xmfA-2v7bA:
undetectable		 4xmfA-2v7bA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vw9 SINGLE-STRANDED DNA
BINDING PROTEIN

(Helicobacter
pylori) 		PF00436
(SSB) 		3 ASP A1106
LEU A1011
GLY A1070
 None
 0.55A 4xmfA-2vw9A:
undetectable		 4xmfA-2vw9A:
22.99
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.
2wbp L-ARGININE
BETA-HYDROXYLASE

(Streptomyces
vinaceus) 		PF02668
(TauD) 		3 ASP A 268
LEU A 165
GLY A 166
 ZZU  A1359 (-3.0A)
SIN  A1360 ( 4.7A)
ZZU  A1359 (-4.7A)
 0.54A 4xmfA-2wbpA:
undetectable		 4xmfA-2wbpA:
16.99
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		3 ASP B  36
LEU A 139
GLY A 138
 SF4  A 602 (-2.8A)
None
SF4  A 602 (-3.6A)
 0.47A 4xmfA-2xdqB:
undetectable		 4xmfA-2xdqB:
16.16
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.
3acf BETA-1,4-ENDOGLUCANA
SE

([Clostridium]
josui) 		PF03424
(CBM_17_28) 		3 ASP A 186
LEU A 140
GLY A 113
 None
 0.54A 4xmfA-3acfA:
undetectable		 4xmfA-3acfA:
21.60
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		3 ASP A 269
LEU A 689
GLY A 690
 None
 0.56A 4xmfA-3aqpA:
undetectable		 4xmfA-3aqpA:
13.03
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		3 ASP A 198
LEU A 259
GLY A 187
 MG  A 577 (-2.8A)
DG3  A 576 (-4.8A)
DG3  A 576 (-3.4A)
 0.54A 4xmfA-3auoA:
undetectable		 4xmfA-3auoA:
16.86
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.
3epc PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.51A 4xmfA-3epc2:
undetectable		 4xmfA-3epc2:
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.
3epd PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.46A 4xmfA-3epd2:
undetectable		 4xmfA-3epd2:
20.65
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.
3epf PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.45A 4xmfA-3epf2:
undetectable		 4xmfA-3epf2:
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.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum) 		PF01041
(DegT_DnrJ_EryC1) 		3 ASP A 157
LEU A  61
GLY A  60
 TQP  A 374 (-2.8A)
TQP  A 374 (-4.0A)
TQP  A 374 (-3.2A)
 0.55A 4xmfA-3frkA:
undetectable		 4xmfA-3frkA:
19.78
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.
3ie4 GRAM-NEGATIVE
BINDING PROTEIN 3

(Drosophila
melanogaster) 		PF15886
(CBM39) 		3 ASP A  91
LEU A  42
GLY A  41
 None
 0.52A 4xmfA-3ie4A:
undetectable		 4xmfA-3ie4A:
24.49
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.
3j2j PROTEIN VP2

(Enterovirus B) 		PF00073
(Rhv) 		3 ASP C  48
LEU C   9
GLY C  10
 None
 0.54A 4xmfA-3j2jC:
undetectable		 4xmfA-3j2jC:
24.24
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 ASP B 185
LEU B 137
GLY B 134
 None
None
SO4  B 246 (-3.7A)
 0.57A 4xmfA-3l7zB:
undetectable		 4xmfA-3l7zB:
24.60
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.
3my0 SERINE/THREONINE-PRO
TEIN KINASE RECEPTOR
R3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 ASP A 235
LEU A 351
GLY A 350
 None
 0.37A 4xmfA-3my0A:
undetectable		 4xmfA-3my0A:
20.13
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.
3o0h GLUTATHIONE
REDUCTASE

(Bartonella
henselae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 ASP A 338
LEU A 355
GLY A 354
 None
 0.44A 4xmfA-3o0hA:
undetectable		 4xmfA-3o0hA:
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.
3pjl 34 KDA MEMBRANE
ANTIGEN

(Treponema
pallidum) 		PF10634
(Iron_transport) 		3 ASP A  68
LEU A 135
GLY A 134
 None
 0.47A 4xmfA-3pjlA:
undetectable		 4xmfA-3pjlA:
20.73
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		3 ASP A 225
LEU A 343
GLY A 342
 None
 0.55A 4xmfA-3q4tA:
undetectable		 4xmfA-3q4tA:
21.50
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.
3qbt INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
RAS-RELATED PROTEIN
RAB-8A

(Homo sapiens) 		PF00071
(Ras)
no annotation 		3 ASP A  44
LEU B 661
GLY B 664
 SO4  B   1 ( 4.1A)
None
None
 0.58A 4xmfA-3qbtA:
undetectable		 4xmfA-3qbtA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5k FALCILYSIN

(Plasmodium
falciparum) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		3 ASP A1040
LEU A 150
GLY A 149
 None
 0.54A 4xmfA-3s5kA:
undetectable		 4xmfA-3s5kA:
11.15
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.
3s6m PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Burkholderia
pseudomallei) 		PF00160
(Pro_isomerase) 		3 ASP A 154
LEU A  59
GLY A  58
 None
 0.51A 4xmfA-3s6mA:
undetectable		 4xmfA-3s6mA:
22.01
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.
3sei CASKIN-1

(Homo sapiens) 		PF00536
(SAM_1) 		3 ASP A  32
LEU A  88
GLY A  87
 None
 0.53A 4xmfA-3seiA:
undetectable		 4xmfA-3seiA:
19.60
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.
3sen CASKIN-1

(Homo sapiens) 		PF00536
(SAM_1) 		3 ASP A  35
LEU A  91
GLY A  90
 None
 0.54A 4xmfA-3senA:
undetectable		 4xmfA-3senA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3txy ISOCHORISMATASE
FAMILY PROTEIN
FAMILY

(Burkholderia
thailandensis) 		PF00857
(Isochorismatase) 		3 ASP A  97
LEU A  91
GLY A  92
 None
 0.56A 4xmfA-3txyA:
undetectable		 4xmfA-3txyA:
22.81
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		3 ASP A 153
LEU A 159
GLY A 158
 None
 0.44A 4xmfA-3v8vA:
undetectable		 4xmfA-3v8vA:
13.22
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.
3vdy SINGLE-STRANDED
DNA-BINDING PROTEIN
SSBB

(Bacillus
subtilis) 		PF00436
(SSB) 		3 ASP A 104
LEU A  11
GLY A  68
 None
 0.53A 4xmfA-3vdyA:
undetectable		 4xmfA-3vdyA:
20.56
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.
3vm7 ALPHA-AMYLASE

(Malbranchea
cinnamomea) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		3 ASP A 326
LEU A 474
GLY A 473
 None
 0.55A 4xmfA-3vm7A:
undetectable		 4xmfA-3vm7A:
17.77
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ASP A 341
LEU A 335
GLY A 336
 None
 0.52A 4xmfA-3vteA:
undetectable		 4xmfA-3vteA:
16.83
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.
4bzi SAR1P

(Saccharomyces
cerevisiae) 		PF00025
(Arf) 		3 ASP B 114
LEU B 151
GLY B 150
 None
 0.56A 4xmfA-4bziB:
undetectable		 4xmfA-4bziB:
20.93
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.
4gb3 COAT PROTEIN 2

(Enterovirus B) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.52A 4xmfA-4gb32:
undetectable		 4xmfA-4gb32:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gmk RIBOSE-5-PHOSPHATE
ISOMERASE A

(Lactobacillus
salivarius) 		PF06026
(Rib_5-P_isom_A) 		3 ASP A 178
LEU A 103
GLY A  98
 None
None
PO4  A 301 (-4.0A)
 0.55A 4xmfA-4gmkA:
undetectable		 4xmfA-4gmkA:
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.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		3 ASP A  49
LEU A  97
GLY A  12
 None
 0.42A 4xmfA-4hxqA:
undetectable		 4xmfA-4hxqA:
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		3 ASP A  67
LEU A 116
GLY A  30
 None
 0.37A 4xmfA-4ixuA:
undetectable		 4xmfA-4ixuA:
19.28
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.
4lqx TENA/THI-4
DOMAIN-CONTAINING
PROTEIN

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4)
PF16293
(zf-C2H2_9) 		3 ASP A 206
LEU A 252
GLY A 249
 None
 0.51A 4xmfA-4lqxA:
undetectable		 4xmfA-4lqxA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lur INTERPHOTORECEPTOR
RETINOID-BINDING
PROTEIN(IRBP)

(Danio rerio) 		PF03572
(Peptidase_S41)
PF11918
(Peptidase_S41_N) 		3 ASP A 133
LEU A 193
GLY A 194
 None
 0.46A 4xmfA-4lurA:
undetectable		 4xmfA-4lurA:
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.
4o01 BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		3 ASP A 207
LEU A 463
GLY A 464
 LBV  A 600 (-3.4A)
None
None
 0.55A 4xmfA-4o01A:
undetectable		 4xmfA-4o01A:
16.73
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.
4oo0 MAF-LIKE PROTEIN
BCAL2394

(Burkholderia
cenocepacia) 		PF02545
(Maf) 		3 ASP A 112
LEU A 104
GLY A 105
 None
 0.52A 4xmfA-4oo0A:
undetectable		 4xmfA-4oo0A:
18.95
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.
4p22 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Homo sapiens) 		PF00899
(ThiF)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		3 ASP A 279
LEU A  54
GLY A  53
 None
 0.57A 4xmfA-4p22A:
undetectable		 4xmfA-4p22A:
18.90
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.
4q0s L-RIBOSE ISOMERASE

(Acinetobacter
sp. DL-28) 		no annotation 3 ASP A 197
LEU A 119
GLY A 120
 None
 0.49A 4xmfA-4q0sA:
undetectable		 4xmfA-4q0sA:
20.52
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		3 ASP 2  57
LEU 2  18
GLY 2  19
 None
 0.53A 4xmfA-4q4y2:
undetectable		 4xmfA-4q4y2:
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.
4qci ANTI-PDGF-BB
ANTIBODY - LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 ASP A  50
LEU A  27
GLY A  28
 None
 0.52A 4xmfA-4qciA:
undetectable		 4xmfA-4qciA:
23.15
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.
4wq3 CALPAIN SMALL
SUBUNIT 1

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		3 ASP A 154
LEU A 159
GLY A 160
 CA  A 302 (-2.8A)
None
CA  A 302 ( 4.9A)
 0.54A 4xmfA-4wq3A:
undetectable		 4xmfA-4wq3A:
23.20
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.
4wrr PUTATIVE
DIACYLGLYCEROL
KINASE

(Bacillus
anthracis) 		PF00781
(DAGK_cat) 		3 ASP A 100
LEU A 167
GLY A 164
 None
 0.56A 4xmfA-4wrrA:
undetectable		 4xmfA-4wrrA:
22.33
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.
4z0x ANTIBODY HC26AM
LIGHT CHAIN VARIABLE
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		3 ASP A  50
LEU A  27
GLY A  28
 None
 0.48A 4xmfA-4z0xA:
undetectable		 4xmfA-4z0xA:
20.90
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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 3 ASP A 401
LEU A 408
GLY A 406
 None
 0.54A 4xmfA-5affA:
undetectable		 4xmfA-5affA:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5avp L-RIBOSE ISOMERASE

(Geodermatophilus
obscurus) 		no annotation 3 ASP A 201
LEU A 123
GLY A 124
 None
 0.45A 4xmfA-5avpA:
undetectable		 4xmfA-5avpA:
18.97
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.
5fgc ANTI-HCV E2 FAB
HC33.8 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 ASP B  50
LEU B  27
GLY B  28
 None
 0.58A 4xmfA-5fgcB:
undetectable		 4xmfA-5fgcB:
24.68
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.
5hrz TPR DOMAIN PROTEIN
1NA0C3_3

(synthetic
construct) 		PF13174
(TPR_6)
PF13432
(TPR_16) 		3 ASP A  88
LEU A 120
GLY A 119
 None
 0.50A 4xmfA-5hrzA:
undetectable		 4xmfA-5hrzA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvn 3-DEHYDROQUINATE
SYNTHASE

(Francisella
tularensis) 		PF01761
(DHQ_synthase) 		3 ASP A 309
LEU A 262
GLY A 261
 None
 0.52A 4xmfA-5hvnA:
undetectable		 4xmfA-5hvnA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		3 ASP A 198
LEU A 203
GLY A 201
 None
 0.57A 4xmfA-5hzgA:
undetectable		 4xmfA-5hzgA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		3 ASP A 523
LEU A 709
GLY A 708
 None
 0.56A 4xmfA-5ikzA:
undetectable		 4xmfA-5ikzA:
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.
5j13 ANTI-TSLP
FAB-FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 ASP B  53
LEU B  30
GLY B  31
 None
 0.52A 4xmfA-5j13B:
undetectable		 4xmfA-5j13B:
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		3 ASP A 280
LEU A 237
GLY A 234
 None
 0.50A 4xmfA-5jheA:
undetectable		 4xmfA-5jheA:
17.26
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.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		3 ASP A 299
LEU A 142
GLY A 141
 None
 0.56A 4xmfA-5jkjA:
undetectable		 4xmfA-5jkjA:
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.
5jz8 ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE

(Homo sapiens) 		PF05118
(Asp_Arg_Hydrox)
PF13181
(TPR_8)
PF13432
(TPR_16) 		3 ASP A 523
LEU A 549
GLY A 550
 None
 0.50A 4xmfA-5jz8A:
undetectable		 4xmfA-5jz8A:
17.45
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 ASP A 430
LEU A 456
GLY A 455
 BXP  A 511 (-4.6A)
None
BXP  A 511 (-3.3A)
 0.55A 4xmfA-5l6fA:
undetectable		 4xmfA-5l6fA:
16.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m6j NITROPHORIN-7

(Rhodnius
prolixus) 		no annotation 3 ASP A  32
LEU A 125
GLY A 133
 None
 0.12A 4xmfA-5m6jA:
36.4		 4xmfA-5m6jA:
98.75
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 3 ASP A 227
LEU A 316
GLY A 315
 None
 0.52A 4xmfA-5nd1A:
undetectable		 4xmfA-5nd1A:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nyw PROTEASOME SUBUNIT

(Yersinia
bercovieri) 		no annotation 3 ASP A 180
LEU A 229
GLY A 226
 None
 0.55A 4xmfA-5nywA:
undetectable		 4xmfA-5nywA:
23.11
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.
5t3b GLYCOSIDE HYDROLASE

(Bacteroides
plebeius) 		no annotation 3 ASP A 254
LEU A 196
GLY A 195
 None
 0.49A 4xmfA-5t3bA:
undetectable		 4xmfA-5t3bA:
18.68
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.
5tj2 SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,GASDERMIN-B
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF04598
(Gasdermin)
PF13416
(SBP_bac_8) 		3 ASP A1383
LEU A  75
GLY A  74
 None
 0.47A 4xmfA-5tj2A:
undetectable		 4xmfA-5tj2A:
16.58
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.
5u24 PUTATIVE
AMINOTRANSFERASE

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		3 ASP A 155
LEU A  59
GLY A  58
 7SG  A 402 (-2.6A)
7SG  A 402 (-4.4A)
7SG  A 402 (-3.5A)
 0.48A 4xmfA-5u24A:
undetectable		 4xmfA-5u24A:
20.76
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 3 ASP A  60
LEU A 134
GLY A 135
 None
 0.53A 4xmfA-6c0dA:
undetectable		 4xmfA-6c0dA:
16.85