SIMILAR PATTERNS OF AMINO ACIDS FOR 2B82_A_ADNA1001_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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 LYS A 203
LEU A 200
TRP A 185
GLY A 143
THR A 150
 None
 1.47A 2b82A-1hcuA:
undetectable		 2b82A-1hcuA:
18.61
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.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		5 LYS A 369
GLU A  62
TYR A 373
LEU A  63
GLY A  25
 None
 1.44A 2b82A-1pz3A:
1.3		 2b82A-1pz3A:
16.32
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.
1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF02679
(ComA) 		5 PHE A  41
LYS A  43
GLU A 103
TYR A  72
LEU A 131
 None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.4A)
None
None
 1.27A 2b82A-1qwgA:
0.4		 2b82A-1qwgA:
20.83
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G

(Escherichia
coli) 		PF04349
(MdoG) 		5 PHE A 310
LEU A 250
GLY A 246
THR A 338
TYR A 383
 None
 1.16A 2b82A-1txkA:
undetectable		 2b82A-1txkA:
18.20
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 PHE A 155
TYR A 157
GLY A 124
ASP A  33
THR A 320
 None
None
None
4IG  A 885 (-2.7A)
None
 1.45A 2b82A-2g1sA:
undetectable		 2b82A-2g1sA:
19.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hf7 CLASS B ACID
PHOSPHATASE

(Escherichia
coli) 		PF03767
(Acid_phosphat_B) 		7 LYS A  60
GLU A  68
TYR A  70
LEU A  71
TRP A  77
GLY A 144
ASP A 145
 None
 1.04A 2b82A-2hf7A:
36.6		 2b82A-2hf7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hf7 CLASS B ACID
PHOSPHATASE

(Escherichia
coli) 		PF03767
(Acid_phosphat_B) 		10 PHE A  56
LYS A  60
GLU A  68
TYR A  70
LEU A  71
TRP A  77
GLY A 113
ASP A 145
THR A 192
TYR A 193
 None
None
None
None
None
None
AF3  A 800 (-3.5A)
None
None
None
 0.66A 2b82A-2hf7A:
36.6		 2b82A-2hf7A:
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.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 125
LEU A 497
GLY A 316
ASP A 320
THR A 113
 None
BHF  A 800 (-4.4A)
BHF  A 800 (-3.8A)
BHF  A 800 (-4.0A)
None
 1.48A 2b82A-2hi4A:
undetectable		 2b82A-2hi4A:
18.54
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.
2kha BETA-1,3-GLUCAN-BIND
ING PROTEIN

(Plodia
interpunctella) 		PF15886
(CBM39) 		5 PHE A  66
GLU A  15
LEU A  22
GLY A  38
THR A  65
 None
 1.30A 2b82A-2khaA:
undetectable		 2b82A-2khaA:
21.84
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 PHE A 770
GLU A 810
TRP A 783
GLY A 788
THR A 768
 None
 1.16A 2b82A-2q1fA:
0.0		 2b82A-2q1fA:
12.92
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 PHE A  74
GLU A 269
TRP A 229
GLY A 273
TYR A  77
 None
 1.29A 2b82A-2xf2A:
3.3		 2b82A-2xf2A:
16.16
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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		5 GLU A 150
TYR A 156
LEU A 154
GLY A  40
ASP A 100
 None
 1.46A 2b82A-2yvtA:
2.6		 2b82A-2yvtA:
22.30
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.
3h2i ESTERASE

(Xanthomonas
oryzae) 		PF03583
(LIP) 		5 PHE A 269
GLU A  89
LEU A 275
GLY A 231
TYR A 138
 None
 1.26A 2b82A-3h2iA:
undetectable		 2b82A-3h2iA:
19.69
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.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 PHE A 295
LEU A 304
GLY A 261
ASP A 200
THR A 330
 None
 1.30A 2b82A-3ldgA:
undetectable		 2b82A-3ldgA:
19.11
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.
3lyu PUTATIVE HYDROGENASE

(Pyrococcus
furiosus) 		no annotation 5 LYS A 101
GLU A 187
LEU A 103
GLY A 106
THR A 150
 None
 1.24A 2b82A-3lyuA:
3.8		 2b82A-3lyuA:
24.89
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.
3os4 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia pestis) 		PF04095
(NAPRTase) 		5 PHE A 174
GLU A 122
TYR A  18
ASP A 284
THR A 176
 None
 1.48A 2b82A-3os4A:
undetectable		 2b82A-3os4A:
20.84
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.
3t8k UNCHARACTERIZED
PROTEIN

(Leptotrichia
buccalis) 		no annotation 5 PHE A  57
LYS A  53
GLU A  17
TYR A  16
LEU A  20
 None
 1.45A 2b82A-3t8kA:
undetectable		 2b82A-3t8kA:
22.27
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.
3zjk BETA GLYCOSIDASE

(Thermus
thermophilus) 		PF00232
(Glyco_hydro_1) 		5 PHE A 114
GLU A   6
GLY A 215
ASP A 277
THR A 112
 None
 1.37A 2b82A-3zjkA:
2.1		 2b82A-3zjkA:
17.78
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.
4gpn 6-PHOSPHO-BETA-D-GLU
COSIDASE

(Streptococcus
mutans) 		PF00232
(Glyco_hydro_1) 		5 PHE A 161
LYS A 165
LEU A 232
GLY A 235
ASP A 306
 None
 1.28A 2b82A-4gpnA:
1.9		 2b82A-4gpnA:
18.67
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.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 123
LEU A 496
GLY A 316
ASP A 320
THR A 111
 None
None
BHF  A 602 (-3.5A)
BHF  A 602 (-3.7A)
None
 1.43A 2b82A-4i8vA:
undetectable		 2b82A-4i8vA:
18.43
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.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		5 PHE A 104
LYS A 106
GLU A 102
GLY A  19
ASP A  21
 None
 1.44A 2b82A-4pj1A:
2.0		 2b82A-4pj1A:
17.72
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.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		5 PHE A 269
GLU A 252
TYR A 254
LEU A 225
GLY A 110
 None
EDO  A 304 (-3.5A)
EDO  A 304 (-4.6A)
None
None
 1.08A 2b82A-4x00A:
undetectable		 2b82A-4x00A:
21.71
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.
5avp L-RIBOSE ISOMERASE

(Geodermatophilus
obscurus) 		no annotation 5 PHE A 129
GLU A  65
TYR A 168
LEU A 160
GLY A 157
 None
 1.40A 2b82A-5avpA:
undetectable		 2b82A-5avpA:
21.07
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.
5cyl FIMBRIAL SUBUNIT
CUPB6

(Pseudomonas
aeruginosa) 		PF00419
(Fimbrial) 		5 PHE A 257
GLU A 254
GLY A 351
ASP A 350
THR A 300
 None
 1.35A 2b82A-5cylA:
undetectable		 2b82A-5cylA:
21.95
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 PHE A 303
TYR A 276
LEU A 310
THR A 305
TYR A 304
 None
 1.40A 2b82A-5ldtA:
undetectable		 2b82A-5ldtA:
17.37
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 TYR A 276
LEU A 310
GLY A 294
THR A 305
TYR A 304
 None
 1.35A 2b82A-5ldtA:
undetectable		 2b82A-5ldtA:
17.37
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.
5mgt KILLER CELL
LECTIN-LIKE RECEPTOR
SUBFAMILY B MEMBER 1

(Homo sapiens) 		no annotation 5 GLU C 186
TRP C 165
GLY C 182
ASP C 183
TYR C 201
 None
 1.13A 2b82A-5mgtC:
undetectable		 2b82A-5mgtC:
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.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 142
GLU A 115
TYR A 143
LEU A 118
GLY A 123
 None
 1.47A 2b82A-5w4bA:
2.7		 2b82A-5w4bA:
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.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		5 PHE A 196
LEU A 504
TRP A 122
GLY A 186
THR A 211
 None
 1.46A 2b82A-5xeqA:
undetectable		 2b82A-5xeqA:
18.27
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 5 GLU A  97
GLY A  74
ASP A  75
THR A 396
TYR A 395
 None
 1.48A 2b82A-6b82A:
undetectable		 2b82A-6b82A:
22.41