SIMILAR PATTERNS OF AMINO ACIDS FOR 1N2X_A_SAMA401_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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 HIS A 499
ASP A 311
SER A 308
ASP A 315
 None
 1.39A 1n2xA-1cygA:
0.5		 1n2xA-1cygA:
17.01
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		4 HIS A  67
ASP A  78
SER A 254
ASP A  73
 None
 1.50A 1n2xA-1fbwA:
undetectable		 1n2xA-1fbwA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		4 HIS A  38
ASP A  55
SER A  81
ASP A 103
 SAH  A 401 (-4.0A)
SAH  A 401 (-2.7A)
SAH  A 401 (-3.0A)
SAH  A 401 (-3.7A)
 0.12A 1n2xA-1m6yA:
47.9		 1n2xA-1m6yA:
100.00
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		4 HIS A  68
ASP A 266
SER A 271
ASP A 237
 ZN  A 372 (-3.5A)
None
None
ZN  A 372 (-1.9A)
 1.43A 1n2xA-1vheA:
0.2		 1n2xA-1vheA:
22.56
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.
1y75 PHOSPHOLIPASE A2
ISOFORM 6

(Naja
sagittifera) 		PF00068
(Phospholip_A2_1) 		4 HIS B  48
ASP B  42
SER B  36
ASP B  49
 None
 1.48A 1n2xA-1y75B:
undetectable		 1n2xA-1y75B:
15.30
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.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		4 HIS A 225
ASP A 289
SER A 315
ASP A  36
 None
 1.33A 1n2xA-2b4eA:
0.0		 1n2xA-2b4eA:
24.16
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 HIS A 369
ASP A 363
SER A 394
ASP A 370
 None
 1.24A 1n2xA-2cfzA:
0.0		 1n2xA-2cfzA:
20.41
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 HIS A  78
ASP A 250
SER A 253
ASP A  91
 None
 1.43A 1n2xA-2qo3A:
0.7		 1n2xA-2qo3A:
17.40
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.
2qom SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 HIS A1127
ASP A1088
SER A1090
ASP A1129
 None
 1.21A 1n2xA-2qomA:
undetectable		 1n2xA-2qomA:
21.47
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.
2rik TITIN

(Oryctolagus
cuniculus) 		PF07679
(I-set) 		4 HIS A 247
ASP A 255
SER A 253
ASP A 205
 None
 1.33A 1n2xA-2rikA:
undetectable		 1n2xA-2rikA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvg PUTATIVE METAL
BINDING PROTEIN

(Coccidioides
immitis) 		PF12849
(PBP_like_2) 		4 HIS A 151
ASP A 145
SER A 138
ASP A 152
 None
 1.22A 1n2xA-3cvgA:
undetectable		 1n2xA-3cvgA:
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.
3g68 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Clostridioides
difficile) 		PF01380
(SIS) 		4 HIS A 215
ASP A 221
SER A  47
ASP A 217
 None
 1.12A 1n2xA-3g68A:
0.9		 1n2xA-3g68A:
23.35
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.
3j3i CAPSID PROTEIN

(Penicillium
chrysogenum
virus) 		no annotation 4 HIS A 228
ASP A 285
SER A 354
ASP A 288
 None
 1.48A 1n2xA-3j3iA:
undetectable		 1n2xA-3j3iA:
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.
3kmi PUTATIVE MEMBRANE
PROTEIN COG4129

(Clostridioides
difficile) 		PF11728
(ArAE_1_C) 		4 HIS A 253
ASP A 184
SER A 182
ASP A 170
 None
 1.06A 1n2xA-3kmiA:
undetectable		 1n2xA-3kmiA:
21.05
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.
3loy COPPER AMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid) 		4 HIS A 269
ASP A 445
SER A 280
ASP A 267
 None
 1.42A 1n2xA-3loyA:
undetectable		 1n2xA-3loyA:
19.84
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.
3qlb ENANTIO-PYOCHELIN
RECEPTOR

(Pseudomonas
fluorescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 HIS A 208
ASP A 173
SER A 171
ASP A 207
 None
 1.03A 1n2xA-3qlbA:
undetectable		 1n2xA-3qlbA:
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.
3slt SERINE PROTEASE ESPP

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 HIS A1127
ASP A1088
SER A1090
ASP A1129
 None
 1.03A 1n2xA-3sltA:
undetectable		 1n2xA-3sltA:
21.49
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.
3tdw GENTAMICIN
RESISTANCE PROTEIN

(Enterococcus
gallinarum) 		PF01636
(APH) 		4 HIS A 201
ASP A 230
SER A 225
ASP A 196
 MG  A 501 ( 3.4A)
None
None
None
 1.49A 1n2xA-3tdwA:
undetectable		 1n2xA-3tdwA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		4 HIS A 163
ASP A 220
SER A 107
ASP A 264
 IMD  A 702 (-3.7A)
CA  A 703 (-2.9A)
None
None
 1.45A 1n2xA-4hhrA:
undetectable		 1n2xA-4hhrA:
19.10
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		4 HIS A 108
ASP A  80
SER A  84
ASP A 105
 None
SAH  A 502 (-2.5A)
None
SAH  A 502 (-3.0A)
 1.36A 1n2xA-4krgA:
14.1		 1n2xA-4krgA:
21.05
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		4 HIS A 157
ASP A 214
SER A 101
ASP A 257
 IMD  A 705 (-3.8A)
CA  A 703 (-2.9A)
None
None
 1.39A 1n2xA-4kvlA:
undetectable		 1n2xA-4kvlA:
19.20
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.
4nzj PUTATIVE
ALPHA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF05345
(He_PIG)
PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2) 		4 HIS A 423
ASP A 425
SER A 418
ASP A 422
 None
 1.47A 1n2xA-4nzjA:
undetectable		 1n2xA-4nzjA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p6y AMINOPEPTIDASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		4 HIS A 234
ASP A 226
SER A 239
ASP A 223
 None
 1.32A 1n2xA-4p6yA:
undetectable		 1n2xA-4p6yA:
25.27
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.
5ifk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Kluyveromyces
lactis) 		PF01048
(PNP_UDP_1) 		4 HIS A 201
ASP A 294
SER A 292
ASP A 141
 None
 0.92A 1n2xA-5ifkA:
undetectable		 1n2xA-5ifkA:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 HIS A 906
ASP A 909
SER A 917
ASP A 905
 None
 1.48A 1n2xA-5ip9A:
undetectable		 1n2xA-5ip9A:
13.38
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.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 HIS A 431
ASP A 467
SER A 472
ASP A 428
 None
 1.47A 1n2xA-5t98A:
1.7		 1n2xA-5t98A:
16.59
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.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 4 HIS A 404
ASP A 537
SER A 539
ASP A 439
 CA  A 601 ( 4.8A)
None
None
None
 1.42A 1n2xA-5ukhA:
undetectable		 1n2xA-5ukhA:
23.35
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.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 4 HIS A 253
ASP A  73
SER A  49
ASP A  78
 None
 1.43A 1n2xA-6b5iA:
4.1		 1n2xA-6b5iA:
undetectable