SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_B_QPSB1050_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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli) 		PF06134
(RhaA) 		5 LEU A  63
ASP A 267
ASP A 302
PHE A 336
HIS A 103
 None
ZN  A 450 (-3.0A)
MN  A 451 ( 2.2A)
RNS  A1462 (-4.2A)
RNS  A1462 (-4.4A)
 1.29A 2x2iB-1de6A:
5.1		 2x2iB-1de6A:
17.10
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.
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)
 1.36A 2x2iB-1nvmA:
6.7		 2x2iB-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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A  87
ASP A 212
ASP A 320
MET A 321
ASP A 416
PHE A 449
HIS A 480
 BOG  A2000 (-2.7A)
None
None
BOG  A2000 ( 4.0A)
BOG  A2000 (-3.0A)
None
None
 0.47A 2x2iB-2g3nA:
31.4		 2x2iB-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.
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
 0.44A 2x2iB-2xvgA:
30.2		 2x2iB-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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ASP A 151
LEU A 150
ASP A  24
HIS A 119
HIS A 129
 None
EDO  A 506 ( 4.8A)
None
None
None
 1.49A 2x2iB-3b5qA:
undetectable		 2x2iB-3b5qA:
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 VAL A 384
ASN A 428
PHE A 567
HIS A 325
HIS A 571
 None
PO4  A 810 (-3.1A)
None
None
None
 1.31A 2x2iB-3cmgA:
9.4		 2x2iB-3cmgA:
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 203
ASP A 327
ASP A 443
MET A 444
ASP A 542
PHE A 575
HIS A 600
 GOL  A3001 (-2.6A)
3CU  A1001 (-2.7A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.60A 2x2iB-3cttA:
32.4		 2x2iB-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.
3f84 CFA/I FIMBRIAL
SUBUNIT B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 LEU A 283
ASP A  57
VAL A  63
ASN A  60
ASP A 286
 None
 1.04A 2x2iB-3f84A:
undetectable		 2x2iB-3f84A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f85 HOMO TRIMERIC FUSION
OF CFA/I FIMBRIAL
SUBUNITS B

(Escherichia
coli) 		PF04449
(Fimbrial_CS1) 		5 LEU A 283
ASP A  57
VAL A  63
ASN A  60
ASP A 286
 None
 1.27A 2x2iB-3f85A:
undetectable		 2x2iB-3f85A:
17.97
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 ASP A 313
VAL A 278
PHE A 154
HIS A  63
HIS A 185
 FE  A 502 (-3.2A)
None
None
FE  A 502 (-3.1A)
None
 1.34A 2x2iB-3g77A:
3.5		 2x2iB-3g77A:
17.32
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		8 ASP A 231
GLN A 232
ASP A 355
ASP A 472
MET A 473
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 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.69A 2x2iB-3lppA:
33.6		 2x2iB-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) 		7 LEU A 233
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)
 0.76A 2x2iB-3lppA:
33.6		 2x2iB-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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A  73
ASP A 197
MET A 308
ASP A 420
PHE A 453
HIS A 478
 None
ACR  A 664 (-2.9A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 0.46A 2x2iB-3pocA:
30.5		 2x2iB-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)
 1.09A 2x2iB-3rjtA:
2.8		 2x2iB-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) 		8 ASP A1157
GLN A1158
ASP A1279
ASP A1420
MET A1421
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 (-3.5A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.96A 2x2iB-3topA:
32.8		 2x2iB-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) 		7 ASP A 232
ASP A 357
ASP A 469
MET A 470
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-2.7A)
ACR  A1001 (-3.0A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.3A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.46A 2x2iB-3welA:
37.6		 2x2iB-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) 		5 ASP A 299
ASP A 412
ASP A 480
PHE A 513
HIS A 540
 None
 0.44A 2x2iB-4b9yA:
33.8		 2x2iB-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.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 ASP A 332
LEU A 270
GLN A 307
ASP A 248
ASP A 324
 None
 1.48A 2x2iB-4bkoA:
undetectable		 2x2iB-4bkoA:
17.79
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.
4s1b LMO1466 PROTEIN

(Listeria
monocytogenes) 		PF01966
(HD) 		5 GLN A 558
ASP A 648
VAL A 518
ASP A 544
HIS A 605
 2BA  A 803 ( 4.2A)
FE  A 802 ( 2.6A)
None
FE  A 802 (-2.7A)
FE  A 801 ( 3.5A)
 1.24A 2x2iB-4s1bA:
undetectable		 2x2iB-4s1bA:
11.26
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		7 ASP A 303
ASP A 443
ASP A 556
MET A 557
ASP A 633
PHE A 666
HIS A 691
 None
TRS  A1001 (-2.9A)
TRS  A1001 (-3.2A)
TRS  A1001 (-3.5A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.60A 2x2iB-5dkxA:
35.9		 2x2iB-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.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		5 GLN A 371
ASN A 544
ASP A 452
MET A 453
PHE A 515
 None
 1.41A 2x2iB-5dsyA:
undetectable		 2x2iB-5dsyA:
14.23
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.
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
 0.61A 2x2iB-5f7cA:
21.6		 2x2iB-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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 228
GLN A 230
ASP A 523
PHE A 556
HIS A 588
 None
 1.03A 2x2iB-5f7cA:
21.6		 2x2iB-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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 305
ASP A 451
ASP A 564
MET A 565
ASP A 640
PHE A 673
HIS A 698
 None
5GF  A1021 (-2.0A)
5GF  A1021 (-2.1A)
5GF  A1021 (-2.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.50A 2x2iB-5hjrA:
33.7		 2x2iB-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)
 0.94A 2x2iB-5jouA:
30.0		 2x2iB-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.
5k9n POLYAMINE N
ACETYLTRANSFERASE

(Drosophila
melanogaster) 		PF00583
(Acetyltransf_1) 		5 ASP A  49
LEU A  53
ASP A 165
VAL A 209
HIS A 127
 None
 1.34A 2x2iB-5k9nA:
undetectable		 2x2iB-5k9nA:
11.93
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 7 ASP A 282
ASP A 404
ASP A 518
MET A 519
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-2.6A)
ACR  A1015 (-3.0A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.3A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.62A 2x2iB-5nn8A:
32.3		 2x2iB-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.
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
 1.21A 2x2iB-5x7uA:
11.2		 2x2iB-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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 GLN A 229
ASP A  68
VAL A  67
ASN A  65
HIS A 373
 None
 1.10A 2x2iB-5xaoA:
undetectable		 2x2iB-5xaoA:
17.83
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.
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR

(Homo sapiens) 		no annotation 5 ASP A2330
LEU A2332
ASN A2480
ASP A2494
ASP A2335
 None
 1.47A 2x2iB-5yz0A:
undetectable		 2x2iB-5yz0A:
5.37