SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_A_QPSA1050

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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ASP A  18
PHE A 294
TYR A 291
ASP A  53
HIS A 297
 MN  A3504 ( 2.7A)
None
OXL  A3508 (-4.6A)
None
None
 1.39A 2x2iA-1nvmA:
5.3		 2x2iA-1nvmA:
15.66
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ASP A  53
LEU A  90
ASN A 236
ASP A  18
PHE A 139
 None
None
MN  A3504 ( 4.2A)
MN  A3504 ( 2.7A)
OXL  A3508 (-4.7A)
 1.42A 2x2iA-1nvmA:
5.3		 2x2iA-1nvmA:
15.66
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.
2aaa ALPHA-AMYLASE

(Aspergillus
niger) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 ASP A 206
PHE A 292
ASN A 298
TYR A 252
ASP A 297
 CA  A 486 (-3.0A)
None
None
None
CA  A 486 ( 4.6A)
 1.33A 2x2iA-2aaaA:
12.0		 2x2iA-2aaaA:
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.
2bde CYTOSOLIC IMP-GMP
SPECIFIC
5'-NUCLEOTIDASE

(Legionella
pneumophila) 		PF05761
(5_nucleotid) 		5 LEU A 244
GLN A 280
TYR A 215
ASP A  25
HIS A 168
 None
 1.23A 2x2iA-2bdeA:
undetectable		 2x2iA-2bdeA:
18.07
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A  87
ASP A 212
ASP A 320
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 (-3.0A)
None
None
 0.44A 2x2iA-2g3nA:
31.4		 2x2iA-2g3nA:
23.03
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.
2hpw GREEN FLUORESCENT
PROTEIN

(Clytia gregaria) 		PF01353
(GFP) 		5 LEU A  64
PHE A 101
TYR A 107
PHE A 170
HIS A 182
 None
 1.43A 2x2iA-2hpwA:
undetectable		 2x2iA-2hpwA:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2huo INOSITOL OXYGENASE

(Mus musculus) 		PF05153
(MIOX) 		5 ASP A  88
PHE A 156
TYR A  31
ASP A 142
HIS A  48
 INS  A 303 (-3.7A)
None
None
INS  A 303 (-3.5A)
None
 1.43A 2x2iA-2huoA:
undetectable		 2x2iA-2huoA:
14.34
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.
2j86 PROTEIN
SERINE-THREONINE
PHOSPHATASE

(Synechococcus
elongatus) 		PF13672
(PP2C_2) 		5 LEU A 163
ASP A  18
ASN A 232
ASP A 231
ASP A 119
 None
None
None
MG  A1242 (-2.3A)
MG  A1241 (-2.9A)
 1.29A 2x2iA-2j86A:
undetectable		 2x2iA-2j86A:
11.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 470
ASP A 582
ASP A 659
PHE A 692
HIS A 740
 None
 0.43A 2x2iA-2xvgA:
31.4		 2x2iA-2xvgA:
23.85
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 587
ASP A 470
ASP A 582
ASP A 659
PHE A 692
 None
 0.87A 2x2iA-2xvgA:
31.4		 2x2iA-2xvgA:
23.85
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		6 ASP A 203
ASP A 327
ASP A 443
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.51A 2x2iA-3cttA:
36.2		 2x2iA-3cttA:
24.02
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 231
GLN A 232
ASP A 355
ASP A 472
ASP A 571
PHE A 604
HIS A 629
 None
None
TRS  A6001 (-2.9A)
TRS  A6001 (-3.2A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.72A 2x2iA-3lppA:
33.6		 2x2iA-3lppA:
23.77
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		6 LEU A 233
GLN A 232
ASP A 355
ASP A 571
PHE A 604
HIS A 629
 None
None
TRS  A6001 (-2.9A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.93A 2x2iA-3lppA:
33.6		 2x2iA-3lppA:
23.77
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.
3mse CALCIUM-DEPENDENT
PROTEIN KINASE,
PUTATIVE

(Plasmodium
falciparum) 		PF10591
(SPARC_Ca_bdg)
PF13202
(EF-hand_5) 		5 ASP B  82
LEU B  81
PHE B  44
ASP B  48
ASN B  52
 None
None
None
CA  B 183 (-3.1A)
CA  B 183 (-2.8A)
 1.46A 2x2iA-3mseB:
undetectable		 2x2iA-3mseB:
11.33
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A  73
ASP A 197
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.43A 2x2iA-3pocA:
35.1		 2x2iA-3pocA:
24.15
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.
3rjt LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Alicyclobacillus
acidocaldarius) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 138
ASP A  13
ASN A  91
PHE A 136
HIS A 199
 None
ACT  A 301 (-3.8A)
ACT  A 301 (-3.0A)
None
CSO  A  18 ( 4.2A)
 1.11A 2x2iA-3rjtA:
2.9		 2x2iA-3rjtA:
12.27
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A1157
GLN A1158
ASP A1279
ASP A1420
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-2.6A)
ACR  A   1 ( 4.8A)
ACR  A   1 (-3.2A)
ACR  A   1 (-3.6A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.00A 2x2iA-3topA:
32.8		 2x2iA-3topA:
24.45
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		6 ASP A 232
ASP A 357
ASP A 469
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.41A 2x2iA-3welA:
3.9		 2x2iA-3welA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		6 PHE A 271
ASP A 299
ASP A 412
ASP A 480
PHE A 513
HIS A 540
 None
 0.47A 2x2iA-4b9yA:
32.4		 2x2iA-4b9yA:
23.49
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.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ASP A  16
PHE A 292
TYR A 289
ASP A  51
HIS A 295
 MN  A 402 ( 2.7A)
None
OXL  A 401 (-4.1A)
None
None
 1.41A 2x2iA-4jn6A:
7.5		 2x2iA-4jn6A:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 ASP A  22
PHE A 298
TYR A 295
ASP A  57
HIS A 301
 MG  A 404 ( 2.7A)
None
PYR  A 402 (-4.4A)
None
None
 1.38A 2x2iA-4lrsA:
4.4		 2x2iA-4lrsA:
15.66
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ASP A 224
LEU A 226
PHE A 173
ASN A 183
ASP A 182
 None
None
None
EDO  A 406 (-3.9A)
EDO  A 406 (-4.1A)
 1.43A 2x2iA-4rnwA:
7.1		 2x2iA-4rnwA:
16.65
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ASP A 257
GLN A 315
TYR A 212
ASP A 108
PHE A 107
 None
 1.48A 2x2iA-5c2vA:
undetectable		 2x2iA-5c2vA:
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		6 ASP A 303
ASP A 443
ASP A 556
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.56A 2x2iA-5dkxA:
31.7		 2x2iA-5dkxA:
23.95
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A 228
ASP A 348
ASP A 460
ASP A 523
PHE A 556
HIS A 588
 None
 0.63A 2x2iA-5f7cA:
28.8		 2x2iA-5f7cA:
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLN A 199
ASP A 467
ASP A 532
PHE A 565
HIS A 591
 None
CA  A 805 (-2.9A)
CA  A 805 ( 4.6A)
None
None
 1.02A 2x2iA-5f7sA:
27.3		 2x2iA-5f7sA:
22.91
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A 305
ASP A 451
ASP A 564
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-2.1A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.47A 2x2iA-5hjrA:
36.1		 2x2iA-5hjrA:
25.54
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ASP A 561
ASP A 441
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.8A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.95A 2x2iA-5jouA:
30.0		 2x2iA-5jouA:
23.43
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN9

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		5 ASP O   8
LEU O  11
PHE O  69
TYR O  33
PHE O  65
 None
 1.27A 2x2iA-5mpdO:
undetectable		 2x2iA-5mpdO:
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 6 ASP A 282
ASP A 404
ASP A 518
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.54A 2x2iA-5nn8A:
37.0		 2x2iA-5nn8A:
24.28
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.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 125
LEU A 127
PHE A  74
ASN A  84
ASP A  83
 None
 1.46A 2x2iA-5v4pA:
5.4		 2x2iA-5v4pA:
5.68
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 ASP A 202
ASP A 388
ASP A 310
PHE A 144
HIS A 169
 TRS  A 600 (-2.8A)
None
TRS  A 600 ( 4.7A)
None
None
 1.19A 2x2iA-5x7uA:
12.4		 2x2iA-5x7uA:
6.03
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 5 ASP A2330
LEU A2332
ASN A2480
ASP A2494
ASP A2335
 None
 1.44A 2x2iA-5yz0A:
undetectable		 2x2iA-5yz0A:
5.37
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.
1lt8 BETAINE-HOMOCYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF02574
(S-methyl_trans) 		4 VAL A 343
TRP A 352
ARG A 278
TRP A 279
 None
 1.17A 2x2iA-1lt8A:
4.9		 2x2iA-1lt8A:
16.68
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 318
MET A 321
ARG A 400
TRP A 413
 None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.1A)
None
 0.48A 2x2iA-2g3nA:
31.4		 2x2iA-2g3nA:
23.03
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.
2gdj DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51) 		4 VAL A 173
MET A 162
ARG A 158
THR A 153
 None
None
ANP  A 401 (-3.7A)
MG  A 501 ( 4.0A)
 1.24A 2x2iA-2gdjA:
undetectable		 2x2iA-2gdjA:
13.61
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 TRP A 580
ARG A 642
TRP A 656
THR A 693
 None
 0.82A 2x2iA-2xvgA:
31.4		 2x2iA-2xvgA:
23.85
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A 441
MET A 444
ARG A 526
TRP A 539
 3CU  A1001 (-4.9A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 3.5A)
3CU  A1001 (-4.6A)
 0.52A 2x2iA-3cttA:
36.1		 2x2iA-3cttA:
24.02
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A 470
MET A 473
ARG A 555
TRP A 568
 None
TRS  A6001 ( 3.7A)
TRS  A6001 ( 4.6A)
None
 0.62A 2x2iA-3lppA:
33.6		 2x2iA-3lppA:
23.77
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.
3ntu DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 VAL A 173
MET A 162
ARG A 158
THR A 153
 None
None
ANP  A 401 (-3.5A)
MG  A 501 ( 4.6A)
 1.20A 2x2iA-3ntuA:
undetectable		 2x2iA-3ntuA:
15.74
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 MET A1421
ARG A1510
TRP A1523
THR A1586
 ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
None
 0.85A 2x2iA-3topA:
32.8		 2x2iA-3topA:
24.45
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 TRP A1418
MET A1421
ARG A1510
TRP A1523
 None
ACR  A   1 (-3.5A)
ACR  A   1 (-2.9A)
ACR  A   1 (-4.5A)
 0.58A 2x2iA-3topA:
32.8		 2x2iA-3topA:
24.45
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		4 TRP A 467
MET A 470
ARG A 552
TRP A 565
 None
ACR  A1001 (-3.3A)
ACR  A1001 (-3.0A)
ACR  A1001 (-4.8A)
 0.66A 2x2iA-3welA:
32.8		 2x2iA-3welA:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA

(Homo sapiens) 		PF00069
(Pkinase) 		4 VAL A 235
TRP A 206
ARG A 220
THR A 217
 None
 1.47A 2x2iA-4e3cA:
undetectable		 2x2iA-4e3cA:
20.75
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.
4ixj FIMBRIAL PROTEIN
(PILIN)

(Clostridioides
difficile) 		no annotation 4 VAL A 201
TRP A 224
MET A 120
THR A 182
 None
 1.39A 2x2iA-4ixjA:
undetectable		 2x2iA-4ixjA:
14.17
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.
4lr4 HYPOTHETICAL PROTEIN

([Eubacterium]
rectale) 		no annotation 4 VAL A 365
TRP A 338
TRP A 339
THR A 376
 None
 1.15A 2x2iA-4lr4A:
undetectable		 2x2iA-4lr4A:
16.34
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.
4nik SINGLE-CHAIN FV
FRAGMENT ANTIBODY

(Homo sapiens) 		PF07686
(V-set) 		4 TRP B  38
MET B  36
ARG B  74
THR B  78
 None
 1.44A 2x2iA-4nikB:
undetectable		 2x2iA-4nikB:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		4 VAL A 131
MET A 181
ARG A  64
THR A  51
 None
 1.37A 2x2iA-4qc8A:
undetectable		 2x2iA-4qc8A:
20.12
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.
4qvg SIBL

(Streptosporangium
sibiricum) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 VAL A 338
TRP A 309
ARG A 308
THR A 305
 None
 1.22A 2x2iA-4qvgA:
undetectable		 2x2iA-4qvgA:
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		4 VAL A 302
ARG A 455
TRP A 469
THR A 509
 NSQ  A1681 (-3.5A)
NSQ  A1681 (-3.7A)
NSQ  A1681 (-4.8A)
None
 1.09A 2x2iA-5aeeA:
25.7		 2x2iA-5aeeA:
21.25
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		4 VAL A 205
TRP A 247
MET A 308
THR A 299
 None
 1.44A 2x2iA-5b4sA:
undetectable		 2x2iA-5b4sA:
14.02
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 TRP A 554
MET A 557
ARG A 617
TRP A 630
 TRS  A1001 (-4.9A)
TRS  A1001 (-3.5A)
TRS  A1001 (-4.0A)
None
 0.56A 2x2iA-5dkxA:
31.7		 2x2iA-5dkxA:
23.95
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		4 VAL A 312
TRP A 111
ARG A 256
THR A 236
 None
None
PEG  A1477 (-4.4A)
None
 1.19A 2x2iA-5g0aA:
undetectable		 2x2iA-5g0aA:
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 562
MET A 565
ARG A 624
TRP A 637
 5GF  A1021 (-4.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.4A)
5GF  A1021 ( 4.6A)
 0.63A 2x2iA-5hjrA:
36.1		 2x2iA-5hjrA:
25.54
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 TRP A 516
MET A 519
ARG A 600
TRP A 613
 None
ACR  A1015 (-3.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-4.8A)
 0.44A 2x2iA-5nn8A:
37.0		 2x2iA-5nn8A:
24.28
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 VAL C3726
ARG C3630
TRP C3686
THR C3635
 None
 1.45A 2x2iA-5y3rC:
undetectable		 2x2iA-5y3rC:
12.61