SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_D_QPSD1060_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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		5 THR A 341
SER A 355
SER A 359
VAL A  41
GLY A  38
 None
 1.48A 2x2iD-1bl5A:
0.3		 2x2iD-1bl5A:
17.05
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.
1en4 MANGANESE SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 THR A 143
VAL A 141
PHE A 116
VAL A 168
GLY A 127
 None
 1.39A 2x2iD-1en4A:
0.0		 2x2iD-1en4A:
10.61
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.
1m0u GST2 GENE PRODUCT

(Drosophila
melanogaster) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 VAL A 231
PHE A 202
ASN A 186
VAL A 183
GLY A 188
 None
 1.38A 2x2iD-1m0uA:
undetectable		 2x2iD-1m0uA:
11.56
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.
1mdf 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 425
SER A 311
VAL A 305
GLY A 306
GLN A 353
 None
 1.37A 2x2iD-1mdfA:
0.5		 2x2iD-1mdfA:
19.34
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.
1npc NEUTRAL PROTEASE

(Bacillus cereus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 THR A  81
VAL A 177
PHE A 173
SER A 170
VAL A 149
 None
None
None
ZN  A 323 ( 4.7A)
None
 1.40A 2x2iD-1npcA:
0.0		 2x2iD-1npcA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 VAL A 518
SER A 409
SER A 410
VAL A 332
GLY A 333
 None
 1.06A 2x2iD-1ukcA:
0.0		 2x2iD-1ukcA:
19.35
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A  91
SER A 262
ASN A 164
VAL A 273
GLY A 160
 None
 1.46A 2x2iD-1v6aA:
0.0		 2x2iD-1v6aA:
16.07
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.
2dwr OUTER CAPSID PROTEIN

(Rotavirus A) 		PF00426
(VP4_haemagglut) 		5 VAL A 130
PHE A 128
SER A 125
VAL A  91
GLY A  90
 None
None
None
None
IPA  A5000 (-4.0A)
 1.39A 2x2iD-2dwrA:
0.0		 2x2iD-2dwrA:
10.40
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.
2e4p BIPHENYL DIOXYGENASE
FERREDOXIN SUBUNIT

(Pseudomonas sp.) 		PF00355
(Rieske) 		5 VAL A  12
PHE A  30
SER A  51
SER A  49
VAL A  27
 None
 1.39A 2x2iD-2e4pA:
undetectable		 2x2iD-2e4pA:
7.95
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.
2exh BETA-D-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43) 		5 THR A 394
VAL A 396
SER A 406
VAL A 410
GLY A 512
 None
 1.48A 2x2iD-2exhA:
undetectable		 2x2iD-2exhA:
18.96
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.
2i6t UBIQUITIN-CONJUGATIN
G ENZYME E2-LIKE
ISOFORM A

(Homo sapiens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 VAL A 248
SER A 400
ASN A 320
VAL A 411
GLY A 316
 None
 1.39A 2x2iD-2i6tA:
undetectable		 2x2iD-2i6tA:
14.36
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.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		5 PHE A 292
SER A 260
VAL A 399
GLY A 398
GLN A  39
 None
 1.38A 2x2iD-2m56A:
undetectable		 2x2iD-2m56A:
17.65
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.
2pg6 CYTOCHROME P450 2A6

(Homo sapiens) 		PF00067
(p450) 		5 VAL A  92
SER A 433
SER A 369
VAL A 398
GLY A  83
 None
HEM  A 500 (-2.6A)
HEM  A 500 ( 3.7A)
None
None
 1.37A 2x2iD-2pg6A:
undetectable		 2x2iD-2pg6A:
18.89
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.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		5 VAL A 254
PHE A 337
SER A 224
VAL A 246
GLY A 245
 None
 1.44A 2x2iD-2py6A:
undetectable		 2x2iD-2py6A:
16.52
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.
2zah COAT PROTEIN

(Melon necrotic
spot virus) 		PF00729
(Viral_coat) 		5 PHE A 326
SER A 330
SER A 353
VAL A 302
GLY A 301
 None
 1.43A 2x2iD-2zahA:
2.4		 2x2iD-2zahA:
15.41
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF11

(Schizosaccharomyces
pombe) 		PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 VAL X 758
SER X 783
SER X 780
ASN X 983
GLY X1009
 None
 1.48A 2x2iD-3jb9X:
undetectable		 2x2iD-3jb9X:
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.
3ocr CLASS II
ALDOLASE/ADDUCIN
DOMAIN PROTEIN

(Pseudomonas
savastanoi) 		PF00596
(Aldolase_II) 		5 VAL A 155
PHE A 151
SER A 148
SER A 145
GLY A 131
 None
 1.19A 2x2iD-3ocrA:
undetectable		 2x2iD-3ocrA:
14.83
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 THR A 343
VAL A 341
SER A 527
VAL A 519
GLY A  80
 None
 1.47A 2x2iD-3q3qA:
undetectable		 2x2iD-3q3qA:
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.
3ren GLYCOSYL HYDROLASE,
FAMILY 8

(Clostridium
perfringens) 		PF01270
(Glyco_hydro_8) 		5 THR A 298
PHE A 252
SER A 255
VAL A 230
GLY A 295
 None
 1.43A 2x2iD-3renA:
undetectable		 2x2iD-3renA:
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 THR A 269
VAL A 352
SER A  73
SER A 127
GLY A  50
 FAD  A3005 (-3.0A)
None
None
None
FES  A3002 ( 3.1A)
 1.25A 2x2iD-3zyvA:
undetectable		 2x2iD-3zyvA:
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.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 THR A  73
VAL A  57
ASN A 109
VAL A 108
GLY A 134
 JLN  A1528 (-2.7A)
None
None
None
JLN  A1528 (-3.2A)
 1.42A 2x2iD-4a1oA:
1.7		 2x2iD-4a1oA:
20.54
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.
4ac3 BIFUNCTIONAL PROTEIN
GLMU

(Streptococcus
pneumoniae) 		PF00132
(Hexapep)
PF00483
(NTP_transferase)
PF14602
(Hexapep_2) 		5 VAL A 323
SER A 312
ASN A 345
VAL A 347
GLY A 361
 None
 1.46A 2x2iD-4ac3A:
undetectable		 2x2iD-4ac3A:
18.60
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.
4b97 CELLULOSE BINDING
DOMAIN-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		PF00942
(CBM_3) 		5 VAL A  26
SER A  61
ASN A  66
VAL A  67
GLY A  88
 None
 1.34A 2x2iD-4b97A:
2.7		 2x2iD-4b97A:
9.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A 681
SER A 784
ASN A 767
VAL A 769
GLY A 779
 None
 1.22A 2x2iD-4c3hA:
undetectable		 2x2iD-4c3hA:
20.96
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.
4cdp PUTATIVE
HEME/HEMOGLOBIN
TRANSPORT PROTEIN

(Escherichia
coli) 		PF05171
(HemS) 		5 THR A 299
VAL A 288
SER A 232
ASN A 238
GLY A 316
 None
None
EDO  A1347 (-3.5A)
None
None
 1.47A 2x2iD-4cdpA:
undetectable		 2x2iD-4cdpA:
15.76
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 THR A 408
VAL A 291
PHE A 340
TRP A 321
GLY A 363
 None
 1.16A 2x2iD-4gaxA:
undetectable		 2x2iD-4gaxA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4isy CYSTEINE DESULFURASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 VAL A 345
SER A 337
SER A 327
VAL A 156
GLY A 289
 None
 1.48A 2x2iD-4isyA:
1.4		 2x2iD-4isyA:
16.63
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		5 THR A  44
VAL A  51
SER A 112
GLY A  21
GLN A  46
 None
 1.29A 2x2iD-4jjpA:
0.7		 2x2iD-4jjpA:
12.34
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 THR A 277
PHE A 610
SER A 615
SER A  85
GLY A 177
 None
 1.49A 2x2iD-4mt1A:
undetectable		 2x2iD-4mt1A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4od5 4-HYDROXYBENZOATE
OCTAPRENYLTRANSFERAS
E

(Aeropyrum
pernix) 		PF01040
(UbiA) 		5 VAL A 137
PHE A  15
SER A  12
VAL A 171
GLY A 130
 None
None
GST  A 301 ( 4.1A)
None
None
 1.22A 2x2iD-4od5A:
undetectable		 2x2iD-4od5A:
13.58
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A6270
SER A6275
SER A6509
ASN A6516
VAL A6368
 None
 1.47A 2x2iD-4opfA:
undetectable		 2x2iD-4opfA:
18.00
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.
4ozx ALGINATE LYASE

(Klebsiella
pneumoniae) 		PF08787
(Alginate_lyase2) 		5 THR A 147
ASN A 152
TRP A 153
VAL A 151
GLY A 150
 None
 1.41A 2x2iD-4ozxA:
undetectable		 2x2iD-4ozxA:
13.91
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		5 THR A  19
VAL A  28
SER A  31
ASN A  10
GLY A  14
 None
 1.11A 2x2iD-4toqA:
4.7		 2x2iD-4toqA:
13.69
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.
4yio SUPEROXIDE DISMUTASE

(Streptococcus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 THR A 144
VAL A 142
PHE A 116
VAL A 163
GLY A 127
 None
 1.36A 2x2iD-4yioA:
undetectable		 2x2iD-4yioA:
10.86
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 THR A 261
VAL A 344
SER A  69
SER A 122
GLY A  46
 FAD  A3004 (-2.9A)
None
None
None
FES  A3002 ( 3.3A)
 1.21A 2x2iD-4yswA:
undetectable		 2x2iD-4yswA:
21.39
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 THR B 403
SER B 329
ASN B 317
VAL B 318
GLN B 404
 None
 1.48A 2x2iD-5a8rB:
undetectable		 2x2iD-5a8rB:
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.
5any E1

(Chikungunya
virus) 		PF01589
(Alpha_E1_glycop) 		5 THR A 217
VAL A 108
SER A 111
SER A 113
GLY A 239
 None
 1.18A 2x2iD-5anyA:
undetectable		 2x2iD-5anyA:
17.31
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.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 THR A  22
VAL A  96
SER A 420
SER A 435
GLN A  94
 None
 1.16A 2x2iD-5cykA:
undetectable		 2x2iD-5cykA:
17.42
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.
5e7t MINOR STRUCTURAL
PROTEIN 4
MINOR STRUCTURAL
PROTEIN 5

(Lactococcus
phage Tuc2009) 		no annotation 5 THR B   9
SER B 247
SER A 317
VAL B 233
GLY B 241
 None
 1.46A 2x2iD-5e7tB:
undetectable		 2x2iD-5e7tB:
14.58
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.
5evm FUSION GLYCOPROTEIN
F0

(Nipah
henipavirus) 		PF00523
(Fusion_gly) 		5 THR A 415
VAL A 436
ASN A 380
VAL A 382
GLY A 430
 None
None
None
None
NAG  A 601 (-3.2A)
 1.33A 2x2iD-5evmA:
undetectable		 2x2iD-5evmA:
20.30
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.
5ijg CYS/MET METABOLISM
PYRIDOXAL-PHOSPHATE-
DEPENDENT ENZYME

(Brucella
melitensis) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 182
SER A 327
VAL A 157
GLY A 156
GLN A 336
 None
 1.29A 2x2iD-5ijgA:
undetectable		 2x2iD-5ijgA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 THR A 927
VAL A 909
ASN A 894
VAL A 941
GLY A 943
 None
 1.42A 2x2iD-5kf7A:
4.9		 2x2iD-5kf7A:
21.91
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.
5n56 SUPEROXIDE DISMUTASE
[MN/FE] 1

(Staphylococcus
aureus) 		no annotation 5 THR A 143
VAL A 141
PHE A 116
VAL A 162
GLY A 127
 None
 1.43A 2x2iD-5n56A:
undetectable		 2x2iD-5n56A:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 THR A  48
PHE A 116
SER A  84
SER A  78
GLY A  87
 None
 1.50A 2x2iD-5p60A:
undetectable		 2x2iD-5p60A:
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.
5ud0 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Helicobacter
pylori) 		no annotation 5 VAL A 293
SER A 213
ASN A 253
VAL A 252
GLY A  20
 None
None
NA  A 401 (-3.5A)
None
None
 1.30A 2x2iD-5ud0A:
9.1		 2x2iD-5ud0A:
undetectable