SIMILAR PATTERNS OF AMINO ACIDS FOR 3S68_A_SAMA228

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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
SER A  93
ASP A 163
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-2.7A)
CA  A 305 (-2.5A)
 0.61A 3s68A-1susA:
20.8		 3s68A-1susA:
25.48
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.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		5 MET A  42
GLU A  66
GLY A  68
SER A  74
ASP A 154
 SAH  A2001 (-3.9A)
SAH  A2001 ( 4.2A)
SAH  A2001 (-3.3A)
SAH  A2001 (-2.9A)
SAH  A2001 (-3.3A)
 0.41A 3s68A-2hnkA:
22.5		 3s68A-2hnkA:
23.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		10 MET A  40
GLU A  64
GLY A  66
TYR A  68
SER A  72
GLU A  90
SER A 119
GLN A 120
ASP A 141
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
MG  A 300 (-2.4A)
SAM  A 301 ( 3.4A)
 0.19A 3s68A-3bwmA:
40.7		 3s68A-3bwmA:
81.31
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 MET A  52
GLU A  76
GLY A  78
SER A  84
ASP A 154
 SAH  A 464 (-3.9A)
SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
SAH  A 464 (-2.8A)
CA  A 238 ( 2.2A)
 0.37A 3s68A-3c3yA:
21.7		 3s68A-3c3yA:
22.87
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 MET A  42
GLU A  66
GLY A  68
SER A  74
ASP A 143
 FER  A 501 (-3.7A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.7A)
SAH  A 301 (-2.9A)
MG  A 401 ( 2.7A)
 0.37A 3s68A-3cbgA:
21.5		 3s68A-3cbgA:
25.51
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.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 5 GLU A  35
GLY A  37
SER A  41
GLU A  57
ASP A 128
 None
 0.71A 3s68A-3cvoA:
14.6		 3s68A-3cvoA:
22.88
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 GLU A  77
GLY A  79
SER A  85
GLU A 102
GLN A 154
 SO4  A 233 (-4.0A)
None
SO4  A 233 (-2.6A)
None
None
 1.00A 3s68A-3ntvA:
20.6		 3s68A-3ntvA:
22.83
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		5 GLU A 470
GLY A 465
SER A 283
GLN A 282
ASP A 466
 None
 1.24A 3s68A-4fwtA:
2.5		 3s68A-4fwtA:
11.12
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 GLU A  69
GLY A  45
TYR A  68
SER A  70
SER A  49
 FAD  A 601 (-2.8A)
FAD  A 601 (-3.1A)
None
FAD  A 601 (-2.9A)
FAD  A 601 (-4.3A)
 1.48A 3s68A-4iv9A:
4.4		 3s68A-4iv9A:
18.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
GLY A 109
GLU A 133
SER A 162
GLN A 163
ASP A 184
 None
2F6  A 301 (-3.6A)
2F6  A 301 (-2.7A)
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
 0.41A 3s68A-4p58A:
33.3		 3s68A-4p58A:
97.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLY A 109
SER A 115
GLU A 133
SER A 162
ASP A 184
 2F6  A 301 (-3.6A)
None
2F6  A 301 (-2.7A)
2F6  A 301 (-3.2A)
None
 0.72A 3s68A-4p58A:
33.3		 3s68A-4p58A:
97.64
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLU A  62
GLY A  64
SER A  70
GLU A  88
ASP A 136
 SAM  A 301 ( 4.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
 0.27A 3s68A-4pclA:
23.1		 3s68A-4pclA:
25.86
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.
4u9c LACTOFERRIN-BINDING
PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 GLY A 131
SER A 220
GLU A 120
SER A 166
GLN A  96
 None
 1.49A 3s68A-4u9cA:
undetectable		 3s68A-4u9cA:
21.43
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		6 GLU A  71
GLY A  73
TYR A  75
SER A  79
GLU A  98
ASP A 144
 SAM  A1001 ( 4.4A)
SAM  A1001 (-3.3A)
SAM  A1001 (-4.8A)
SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.37A 3s68A-4ymgA:
20.9		 3s68A-4ymgA:
24.90
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.
5g5f TAU CLASS
GLUTATHIONE
S-TRANSFERASE

(Mangifera
indica) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLU A  36
GLY A  10
SER A  42
GLU A  35
SER A  14
 None
None
None
None
GSH  A1222 (-2.5A)
 1.39A 3s68A-5g5fA:
undetectable		 3s68A-5g5fA:
21.77
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.
5kha GLUTAMINE-DEPENDENT
NAD+ SYNTHETASE

(Acinetobacter
baumannii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLU A 148
GLU A 122
SER A 172
GLN A 203
ASP A 149
 None
 1.49A 3s68A-5khaA:
2.9		 3s68A-5khaA:
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 MET A  75
GLU A  99
GLY A 101
TYR A 103
SER A 107
ASP A 177
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-2.8A)
CA  A 302 ( 2.2A)
 0.44A 3s68A-5kvaA:
20.9		 3s68A-5kvaA:
24.49
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 MET A  41
GLU A  65
GLY A  67
SER A  73
ASP A 142
 SAH  A1001 ( 3.8A)
SAH  A1001 ( 4.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-2.7A)
MG  A1002 (-2.5A)
 0.43A 3s68A-5logA:
22.1		 3s68A-5logA:
22.86
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 GLY A 598
TYR A 211
SER A 591
GLU A 202
ASP A 641
 None
 1.46A 3s68A-5mfaA:
undetectable		 3s68A-5mfaA:
14.49
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		5 GLU A  63
GLY A  65
SER A  71
GLU A  89
ASP A 139
 SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
 0.27A 3s68A-5n5dA:
19.0		 3s68A-5n5dA:
28.94
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 GLU A  60
GLY A  62
SER A  68
GLU A  85
ASP A 133
 SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.34A 3s68A-5zw4A:
22.8		 3s68A-5zw4A:
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 GLY A 598
TYR A 211
SER A 591
GLU A 202
ASP A 641
 None
 1.45A 3s68A-6azpA:
undetectable		 3s68A-6azpA:
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.
1e1h BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN
BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN

(Clostridium
botulinum;
Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF01742
(Peptidase_M27) 		5 VAL A 218
TYR B 348
ALA A 235
HIS A 226
ARG A 230
 None
None
None
ZN  A 501 ( 3.4A)
None
 1.35A 3s68A-1e1hA:
0.0		 3s68A-1e1hA:
22.22
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 243
TYR A 226
ALA A  36
PHE A  89
ARG A  32
 None
 1.31A 3s68A-1mdfA:
3.2		 3s68A-1mdfA:
16.09
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.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		5 VAL A 176
TYR A 180
ASN A 152
ALA A 113
PHE A 165
 None
 1.27A 3s68A-2bacA:
2.4		 3s68A-2bacA:
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.
2yut PUTATIVE SHORT-CHAIN
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 VAL A 117
TYR A 144
ALA A 136
PHE A 119
HIS A  97
 None
None
None
NAP  A 500 ( 4.4A)
NAP  A 500 (-4.6A)
 1.42A 3s68A-2yutA:
7.4		 3s68A-2yutA:
21.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		9 ASN A  41
VAL A  42
TYR A  71
ASN A  92
ALA A 118
PHE A 139
HIS A 142
LYS A 144
ARG A 146
 SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
None
None
SAM  A 301 (-4.2A)
None
SAM  A 301 ( 4.9A)
DNC  A 302 (-2.7A)
None
 0.23A 3s68A-3bwmA:
40.7		 3s68A-3bwmA:
81.31
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.
3c5m OLIGOGALACTURONATE
LYASE

(Vibrio
parahaemolyticus) 		PF14583
(Pectate_lyase22) 		5 ASN A 227
VAL A 228
ASN A 270
ALA A 253
PHE A 205
 None
 1.05A 3s68A-3c5mA:
0.0		 3s68A-3c5mA:
20.91
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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		5 ASN A 373
VAL A 389
ALA A 362
PHE A 189
ARG A 361
 None
 1.43A 3s68A-3gjuA:
0.0		 3s68A-3gjuA:
21.15
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.
3rh7 HYPOTHETICAL
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01613
(Flavin_Reduct) 		5 ASN A  75
VAL A  76
ASN A  62
ALA A  57
PHE A  42
 None
None
FMN  A 321 (-3.5A)
FMN  A 321 (-3.4A)
None
 1.40A 3s68A-3rh7A:
0.0		 3s68A-3rh7A:
23.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		8 TYR A 114
MET A 132
ASN A 135
TYR A 138
ALA A 161
PHE A 182
HIS A 185
ARG A 189
 None
None
None
None
2F6  A 301 (-4.1A)
None
None
None
 0.46A 3s68A-4p58A:
33.3		 3s68A-4p58A:
97.64
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.
5ly8 TAIL COMPONENT

(Lactobacillus
phage J-1) 		no annotation 5 ASN A 101
VAL A 100
ASN A 105
ALA A 133
PHE A 112
 None
 1.44A 3s68A-5ly8A:
undetectable		 3s68A-5ly8A:
21.89
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.
5nqf APICAL MEMBRANE
ANTIGEN 1

(Plasmodium
falciparum) 		PF02430
(AMA-1) 		5 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.48A 3s68A-5nqfA:
undetectable		 3s68A-5nqfA:
19.39
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT E
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation 		5 ASN A  80
VAL A  77
ASN C  87
ALA C  82
PHE A  73
 None
 1.43A 3s68A-6cfwA:
undetectable		 3s68A-6cfwA:
undetectable