SIMILAR PATTERNS OF AMINO ACIDS FOR 4WCX_C_SAMC503_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.
1jmm PROTEIN I/II
V-REGION

(Streptococcus
mutans) 		PF08363
(GbpC) 		4 LEU A 736
GLU A 742
LYS A 805
TYR A 750
 None
 1.48A 4wcxC-1jmmA:
undetectable		 4wcxC-1jmmA:
21.28
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		4 ASN A 219
LEU A 229
GLU A 283
LYS A 286
 None
 1.42A 4wcxC-1p9eA:
undetectable		 4wcxC-1p9eA:
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.
2a5h L-LYSINE
2,3-AMINOMUTASE

(Clostridium
subterminale) 		PF04055
(Radical_SAM)
PF12544
(LAM_C) 		4 CYH A 129
ASN A 266
LEU A 275
GLU A 236
 SF4  A 418 (-2.3A)
None
None
None
 1.30A 4wcxC-2a5hA:
11.2		 4wcxC-2a5hA:
22.13
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.
2b2c SPERMIDINE SYNTHASE

(Caenorhabditis
elegans) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 CYH A 157
ASN A 290
LEU A 291
GLU A 125
 None
 1.36A 4wcxC-2b2cA:
undetectable		 4wcxC-2b2cA:
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.
2bfu COWPEA MOSAIC VIRUS,
SMALL (S) SUBUNIT

(Cowpea mosaic
virus) 		PF02248
(Como_SCP) 		4 ASN S 119
LEU S 118
GLU S 160
TYR S  11
 None
 1.28A 4wcxC-2bfuS:
undetectable		 4wcxC-2bfuS:
16.45
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.
2e5o ACTIVATING SIGNAL
COINTEGRATOR 1

(Homo sapiens) 		PF04266
(ASCH) 		4 ASN A  73
GLU A 119
LYS A 123
TYR A  75
 None
 1.07A 4wcxC-2e5oA:
undetectable		 4wcxC-2e5oA:
16.11
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11) 		4 CYH B  28
ASN B 129
LEU A 867
TYR B 146
 SF4  B1358 (-2.2A)
None
None
None
 1.16A 4wcxC-2ivfB:
undetectable		 4wcxC-2ivfB:
20.89
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.
3ayh DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC9
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC8

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF03874
(RNA_pol_Rpb4)
PF03876
(SHS2_Rpb7-N)
PF08292
(RNA_pol_Rbc25) 		4 ASN A  13
LEU A  88
GLU B  83
TYR A  55
 None
 1.46A 4wcxC-3ayhA:
undetectable		 4wcxC-3ayhA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		4 CYH A 186
ASN A  34
LEU A 258
TYR A 164
 None
 1.32A 4wcxC-3cl6A:
6.9		 4wcxC-3cl6A:
19.05
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.
3e3u PEPTIDE DEFORMYLASE

(Mycobacterium
tuberculosis) 		PF01327
(Pep_deformylase) 		4 CYH A 106
ASN A  55
LEU A 153
GLU A 149
 NI  A 200 ( 2.3A)
None
None
NVC  A 201 (-2.6A)
 1.33A 4wcxC-3e3uA:
undetectable		 4wcxC-3e3uA:
17.39
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASN A 598
GLU A 802
LYS A 837
TYR A 593
 None
 1.15A 4wcxC-3ecqA:
2.1		 4wcxC-3ecqA:
15.62
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.
3fiq ODORANT-BINDING
PROTEIN 1F

(Rattus
norvegicus) 		PF00061
(Lipocalin) 		4 ASN A 125
LEU A 124
GLU A 131
LYS A  92
 None
 1.41A 4wcxC-3fiqA:
undetectable		 4wcxC-3fiqA:
14.05
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.
3pfq PROTEIN KINASE C
BETA TYPE

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00130
(C1_1)
PF00168
(C2)
PF00433
(Pkinase_C) 		4 CYH A 488
LEU A 406
GLU A 390
TYR A 464
 None
 1.38A 4wcxC-3pfqA:
undetectable		 4wcxC-3pfqA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		4 ASN A 318
GLU A 478
LYS A 578
TYR A 324
 None
 1.18A 4wcxC-3thcA:
10.0		 4wcxC-3thcA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ASN A1016
LEU A1177
GLU A1182
TYR A1187
 None
 1.40A 4wcxC-4bedA:
undetectable		 4wcxC-4bedA:
15.03
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 CYH A 894
ASN A1016
LEU A1176
GLU A1182
 CUO  A9003 (-3.1A)
None
None
None
 1.11A 4wcxC-4bedA:
undetectable		 4wcxC-4bedA:
15.03
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.
4btm TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 CYH A 115
ASN A 183
GLU A 101
LYS A  87
 F8E  A1340 (-3.2A)
None
None
F8E  A1340 ( 4.0A)
 1.09A 4wcxC-4btmA:
undetectable		 4wcxC-4btmA:
22.45
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.
4dyo ASPARTYL
AMINOPEPTIDASE

(Homo sapiens) 		PF02127
(Peptidase_M18) 		4 CYH A 241
ASN A 300
GLU A 239
TYR A 121
 None
 1.45A 4wcxC-4dyoA:
undetectable		 4wcxC-4dyoA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lut ALANINE RACEMASE

(Clostridioides
difficile) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 CYH A 360
LEU A  73
GLU A  69
TYR A  43
 None
None
None
DCS  A 401 (-4.6A)
 1.48A 4wcxC-4lutA:
8.7		 4wcxC-4lutA:
23.37
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.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 ASN A 283
GLU A 443
LYS A 523
TYR A 292
 None
 1.12A 4wcxC-4madA:
6.1		 4wcxC-4madA:
24.38
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.
4nfu EDS1

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		4 ASN A 404
LEU A 590
GLU A 587
TYR A 395
 None
 1.27A 4wcxC-4nfuA:
3.1		 4wcxC-4nfuA:
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.
4r33 NOSL

(Streptomyces
actuosus) 		PF06968
(BATS) 		4 CYH A 102
ASN A 175
GLU A 204
LYS A 224
 SF4  A 502 (-2.4A)
SAH  A 501 (-3.9A)
SAH  A 501 (-2.7A)
SAH  A 501 ( 2.8A)
 0.50A 4wcxC-4r33A:
38.1		 4wcxC-4r33A:
29.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rtb HYDG PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 CYH A  95
ASN A 164
LEU A 186
GLU A 189
LYS A 205
 SF4  A 502 ( 2.7A)
SAM  A 501 (-3.5A)
None
SAM  A 501 (-2.4A)
SAM  A 501 (-3.3A)
 0.40A 4wcxC-4rtbA:
46.2		 4wcxC-4rtbA:
43.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED

(Thermoanaerobacter
italicus) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 CYH A  97
ASN A 169
LEU A 191
GLU A 194
LYS A 210
 SF4  A 501 (-2.1A)
MET  A 503 (-3.2A)
None
SF4  A 501 ( 4.9A)
SF4  A 501 (-3.3A)
 0.26A 4wcxC-4wcxA:
61.1		 4wcxC-4wcxA:
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.
5c3m PUTATIVE
6-PHOSPHO-BETA-GLUCO
SIDASE

(Geobacillus
stearothermophilus) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 CYH A 255
ASN A 150
GLU A 355
TYR A 257
 None
MN  A 501 (-3.4A)
None
None
 1.38A 4wcxC-5c3mA:
undetectable		 4wcxC-5c3mA:
22.77
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		4 ASN A 185
LEU A 195
GLU A 249
LYS A 252
 None
 1.46A 4wcxC-5hifA:
undetectable		 4wcxC-5hifA:
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		4 CYH B1291
LEU B1245
GLU B1249
TYR B1472
 None
 1.37A 4wcxC-5hzkB:
undetectable		 4wcxC-5hzkB:
23.12
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.
5k04 UNCHARACTERIZED
PROTEIN
N-TERMINAL
ACETYLTRANSFERASE B
COMPLEX SUBUNIT NAT3

(Candida
albicans;
Candida
albicans) 		PF09797
(NatB_MDM20)
PF08445
(FR47) 		4 LEU A 554
GLU A 369
LYS A 405
TYR B  84
 None
 1.08A 4wcxC-5k04A:
5.7		 4wcxC-5k04A:
20.67
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.
5xbj FLAGELLAR
HOOK-ASSOCIATED
PROTEIN FLGK

(Campylobacter
jejuni) 		no annotation 4 ASN A 117
LEU A 113
GLU A 529
TYR A 511
 None
 1.16A 4wcxC-5xbjA:
2.6		 4wcxC-5xbjA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fuy VINCULIN

(Homo sapiens) 		no annotation 4 ASN A 705
LEU A 671
GLU A 670
LYS A 236
 None
 1.39A 4wcxC-6fuyA:
undetectable		 4wcxC-6fuyA:
undetectable