SIMILAR PATTERNS OF AMINO ACIDS FOR 5F8Y_A_X6XA201

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.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		5 HIS A 125
GLY A 127
GLY A 141
VAL A 145
HIS A  45
 CU  A 153 (-3.2A)
None
None
None
CU  A 153 (-3.0A)
 1.30A 5f8yA-1oalA:
undetectable		 5f8yA-1oalA:
24.18
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.
1r66 TDP-GLUCOSE-4,6-DEHY
DRATASE

(Streptomyces
venezuelae) 		PF16363
(GDP_Man_Dehyd) 		5 TYR A 185
GLY A 183
HIS A  15
ASP A 221
HIS A 219
 None
 1.17A 5f8yA-1r66A:
0.0		 5f8yA-1r66A:
17.16
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 HIS A 281
GLY A 161
GLY A 280
ASP A 447
HIS A 164
 None
 1.44A 5f8yA-1r8wA:
0.0		 5f8yA-1r8wA:
10.29
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ASN A 150
HIS A 157
GLY A 154
GLY A 155
ASP A 208
 None
PO4  A 442 (-4.1A)
None
None
None
 1.44A 5f8yA-2akzA:
0.0		 5f8yA-2akzA:
15.61
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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 143
GLY A 113
GLY A 114
HIS A 141
HIS A 448
 C2O  A 602 (-3.5A)
None
None
C2O  A 602 (-3.2A)
C2O  A 602 (-3.3A)
 1.46A 5f8yA-2fqdA:
undetectable		 5f8yA-2fqdA:
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.
2inp PHENOL HYDROXYLASE
COMPONENT PHO

(Pseudomonas
stutzeri) 		PF04663
(Phenol_monoox) 		5 HIS E  33
TYR E 119
GLY E 118
HIS E  65
ASP E  67
 None
 1.40A 5f8yA-2inpE:
undetectable		 5f8yA-2inpE:
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.
2jf7 STRICTOSIDINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 TYR A 385
GLY A 386
GLY A 387
VAL A 420
HIS A 390
 None
 1.37A 5f8yA-2jf7A:
undetectable		 5f8yA-2jf7A:
14.47
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 HIS A  65
GLY A  89
GLY A  88
ASP A  33
HIS A  85
 None
None
None
F2P  A 501 (-3.5A)
None
 1.20A 5f8yA-2qjgA:
0.0		 5f8yA-2qjgA:
20.28
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 ASN A 271
HIS A 362
GLY A 273
GLY A 361
ASP A 227
 None
ZN  A1001 ( 3.3A)
None
None
ZN  A1001 ( 2.0A)
 1.49A 5f8yA-3a52A:
0.0		 5f8yA-3a52A:
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.
3b97 ALPHA-ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ASN A 150
HIS A 157
GLY A 154
GLY A 155
ASP A 208
 None
SO4  A 436 (-4.1A)
None
None
None
 1.41A 5f8yA-3b97A:
undetectable		 5f8yA-3b97A:
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 TYR A 652
GLY A 651
GLY A 656
HIS A 661
ASP A 658
 None
 1.39A 5f8yA-3ecqA:
undetectable		 5f8yA-3ecqA:
8.07
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.
3ohg UNCHARACTERIZED
PROTEIN FROM DUF2233
FAMILY

(Bacteroides
ovatus) 		PF09992
(NAGPA) 		5 ASN A 307
GLY A 192
GLY A 193
VAL A 141
ASP A 270
 None
None
None
CL  A 400 (-4.3A)
EDO  A 414 ( 4.7A)
 1.23A 5f8yA-3ohgA:
undetectable		 5f8yA-3ohgA:
20.56
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.
3p2m POSSIBLE HYDROLASE

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		5 ASN A 236
HIS A  88
TYR A 249
GLY A  91
GLY A  90
 None
 1.31A 5f8yA-3p2mA:
undetectable		 5f8yA-3p2mA:
17.43
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.
3q48 CHAPERONE CUPB2

(Pseudomonas
aeruginosa) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		5 ASN A 240
GLY A 238
GLY A 237
VAL A 232
ASP A 235
 None
 1.41A 5f8yA-3q48A:
undetectable		 5f8yA-3q48A:
21.40
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 132
GLY A  99
GLY A 100
HIS A 130
HIS A 422
 CU  A 616 (-3.2A)
None
None
CU  A 615 (-3.2A)
CU  A 616 ( 3.2A)
 1.49A 5f8yA-3x1bA:
undetectable		 5f8yA-3x1bA:
14.94
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.
4f1n KPAGO

(Vanderwaltozyma
polyspora) 		PF02171
(Piwi) 		5 HIS A 476
TYR A 478
GLY A 479
GLY A 480
VAL A1134
 None
 1.17A 5f8yA-4f1nA:
undetectable		 5f8yA-4f1nA:
9.46
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.
4jox 13.6 KDA
INSECTICIDAL CRYSTAL
PROTEIN

(Bacillus
thuringiensis) 		PF06355
(Aegerolysin) 		5 GLY A 101
GLY A 100
VAL A   6
HIS A 107
ASP A   9
 None
 1.42A 5f8yA-4joxA:
undetectable		 5f8yA-4joxA:
22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 9 ASN A  27
HIS A  64
TYR A  66
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
 GOL  A 202 (-3.5A)
GOL  A 202 (-3.7A)
GOL  A 202 ( 4.9A)
GOL  A 202 (-3.7A)
GOL  A 202 (-2.9A)
None
GOL  A 202 (-3.5A)
GOL  A 202 (-3.1A)
GOL  A 202 (-3.8A)
 0.19A 5f8yA-5duyA:
34.0		 5f8yA-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 ASN A 119
HIS A  16
GLY A  20
VAL A  31
HIS A  33
 GOL  A 201 (-3.2A)
GOL  A 201 (-3.8A)
GOL  A 201 (-3.1A)
None
GOL  A 201 (-3.5A)
 0.95A 5f8yA-5duyA:
34.0		 5f8yA-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 9 ASN A 119
HIS A  16
TYR A  18
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
 GOL  A 201 (-3.2A)
GOL  A 201 (-3.8A)
GOL  A 201 ( 4.5A)
GOL  A 201 (-3.3A)
GOL  A 201 (-3.1A)
None
GOL  A 201 (-3.5A)
GOL  A 201 (-3.6A)
GOL  A 201 (-4.1A)
 0.22A 5f8yA-5duyA:
34.0		 5f8yA-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 HIS A  16
GLY A  19
VAL A  31
HIS A  33
ASP A  35
 GOL  A 201 (-3.8A)
GOL  A 201 (-3.3A)
None
GOL  A 201 (-3.5A)
GOL  A 201 (-3.6A)
 0.92A 5f8yA-5duyA:
34.0		 5f8yA-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 7 HIS A 108
GLY A 111
GLY A 112
VAL A 123
HIS A 125
ASP A 127
HIS A 129
 GOL  A 203 (-3.8A)
GOL  A 203 (-3.5A)
GOL  A 203 (-3.3A)
None
GOL  A 203 (-3.6A)
None
GOL  A 203 (-4.2A)
 0.25A 5f8yA-5duyA:
34.0		 5f8yA-5duyA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5duy GALNAC/GAL-SPECIFIC
LECTIN

(Crenomytilus
grayanus) 		no annotation 5 HIS A 108
GLY A 112
VAL A 123
HIS A 125
ASP A 127
 GOL  A 203 (-3.8A)
GOL  A 203 (-3.3A)
None
GOL  A 203 (-3.6A)
None
 0.77A 5f8yA-5duyA:
34.0		 5f8yA-5duyA:
82.87
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.
5f4z EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 ASN A  77
HIS A  79
GLY A 141
GLY A 138
VAL A  78
 None
 1.37A 5f8yA-5f4zA:
undetectable		 5f8yA-5f4zA:
17.56
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 HIS A 283
GLY A 163
GLY A 282
ASP A 452
HIS A 166
 PGO  A 901 (-4.0A)
None
None
PGO  A 901 (-3.5A)
PGO  A 901 (-4.0A)
 1.40A 5f8yA-5i2gA:
undetectable		 5f8yA-5i2gA:
10.68
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 TYR A 178
GLY A 156
GLY A 157
VAL A 176
ASP A 162
 None
 1.16A 5f8yA-5twbA:
undetectable		 5f8yA-5twbA:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 7 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
 GOL  A 201 (-4.0A)
GOL  A 201 (-3.6A)
GOL  A 201 (-3.3A)
None
GOL  A 201 (-3.7A)
None
GOL  A 201 (-3.9A)
 0.32A 5f8yA-5vbkA:
33.3		 5f8yA-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 5 HIS A  16
GLY A  20
VAL A  31
HIS A  33
ASP A  35
 GOL  A 201 (-4.0A)
GOL  A 201 (-3.3A)
None
GOL  A 201 (-3.7A)
None
 0.72A 5f8yA-5vbkA:
33.3		 5f8yA-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 7 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
 GOL  A 203 (-3.5A)
GOL  A 203 (-3.6A)
GOL  A 203 (-3.7A)
None
GOL  A 203 ( 4.0A)
GOL  A 203 (-3.8A)
GOL  A 203 (-4.1A)
 0.26A 5f8yA-5vbkA:
33.3		 5f8yA-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 5 HIS A  64
GLY A  68
VAL A  79
HIS A  81
ASP A  83
 GOL  A 203 (-3.5A)
GOL  A 203 (-3.7A)
None
GOL  A 203 ( 4.0A)
GOL  A 203 (-3.8A)
 0.93A 5f8yA-5vbkA:
33.3		 5f8yA-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 7 HIS A 108
GLY A 111
GLY A 112
VAL A 123
HIS A 125
ASP A 127
HIS A 129
 GOL  A 202 (-3.9A)
GOL  A 202 (-3.1A)
GOL  A 202 (-3.3A)
None
GOL  A 202 (-3.8A)
None
GOL  A 202 (-4.1A)
 0.40A 5f8yA-5vbkA:
33.3		 5f8yA-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbk LECTIN

(Mytilus
californianus) 		no annotation 5 HIS A 108
GLY A 112
VAL A 123
HIS A 125
ASP A 127
 GOL  A 202 (-3.9A)
GOL  A 202 (-3.3A)
None
GOL  A 202 (-3.8A)
None
 0.86A 5f8yA-5vbkA:
33.3		 5f8yA-5vbkA:
88.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		7 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
 A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-4.0A)
 0.16A 5f8yA-5xg5A:
27.0		 5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		5 HIS A  16
GLY A  20
VAL A  31
HIS A  33
ASP A  35
 A2G  A 201 (-3.7A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
 0.79A 5f8yA-5xg5A:
27.0		 5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		7 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
 A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-4.0A)
 0.13A 5f8yA-5xg5A:
27.0		 5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		5 HIS A  64
GLY A  68
VAL A  79
HIS A  81
ASP A  83
 A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
 0.86A 5f8yA-5xg5A:
27.0		 5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xg5 MITSUBA-1

(synthetic
construct) 		PF14200
(RicinB_lectin_2) 		7 HIS A 112
GLY A 115
GLY A 116
VAL A 127
HIS A 129
ASP A 131
HIS A 133
 A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-4.0A)
 0.14A 5f8yA-5xg5A:
27.0		 5f8yA-5xg5A:
59.09