SIMILAR PATTERNS OF AMINO ACIDS FOR 6D8P_A_ACTA814

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.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		4 GLN B 246
ASN B 280
THR B 285
LEU B 278
 None
 1.34A 6d8pA-1htrB:
0.0		 6d8pA-1htrB:
18.24
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.
1i4g ENTEROTOXIN TYPE A

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 TYR A 205
ASN A 207
THR A 208
LEU A 209
 None
 1.22A 6d8pA-1i4gA:
0.0		 6d8pA-1i4gA:
15.75
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 TYR A 270
GLN A 267
ASN A 269
THR A 273
 None
 1.22A 6d8pA-1ia5A:
0.0		 6d8pA-1ia5A:
17.85
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		4 TYR A  16
GLN A  99
THR A  94
LEU A  95
 SAH  A1900 ( 4.2A)
SAH  A1900 (-2.9A)
SAH  A1900 (-4.0A)
SAH  A1900 (-4.4A)
 1.22A 6d8pA-1kphA:
0.0		 6d8pA-1kphA:
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		4 TYR A  24
GLN A 107
THR A 102
LEU A 103
 SAH  A 900 ( 4.1A)
SAH  A 900 (-2.9A)
SAH  A 900 (-4.0A)
SAH  A 900 (-4.4A)
 1.28A 6d8pA-1kpiA:
0.0		 6d8pA-1kpiA:
18.24
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.
1olp ALPHA-TOXIN

(Clostridium
sardiniense) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 TYR A  62
GLN A  66
ASN A  77
THR A  79
 None
 1.41A 6d8pA-1olpA:
undetectable		 6d8pA-1olpA:
17.95
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		4 TYR A 148
GLN A 179
THR A 158
LEU A 159
 None
 1.17A 6d8pA-1qonA:
1.6		 6d8pA-1qonA:
21.45
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.
1s05 CYTOCHROME C-556

(Rhodopseudomonas
palustris) 		PF01322
(Cytochrom_C_2) 		4 GLN A  43
ASN A  15
THR A  47
LEU A  11
 None
HEM  A 130 ( 4.0A)
None
None
 1.37A 6d8pA-1s05A:
undetectable		 6d8pA-1s05A:
10.17
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		4 TYR A  16
GLN A  99
THR A  94
LEU A  95
 SAH  A1900 ( 4.1A)
SAH  A1900 (-3.0A)
SAH  A1900 (-4.1A)
SAH  A1900 (-4.3A)
 1.19A 6d8pA-1tpyA:
undetectable		 6d8pA-1tpyA:
18.93
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 GLN A 249
ASN A 171
THR A 262
LEU A 263
 None
 1.43A 6d8pA-1uwyA:
2.1		 6d8pA-1uwyA:
19.57
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.
1y1u SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 5A

(Mus musculus) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 GLN A 288
ASN A 289
THR A 155
LEU A 151
 None
 1.34A 6d8pA-1y1uA:
undetectable		 6d8pA-1y1uA:
21.19
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
BETA-SUBUNIT

(Aromatoleum
aromaticum) 		PF13247
(Fer4_11) 		4 TYR B  68
ASN B  55
THR B  57
LEU B 147
 None
 1.32A 6d8pA-2ivfB:
undetectable		 6d8pA-2ivfB:
18.48
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.
2n4e OR34

(synthetic
construct) 		no annotation 4 TYR A  47
GLN A  51
ASN A  18
THR A  24
 None
 1.44A 6d8pA-2n4eA:
undetectable		 6d8pA-2n4eA:
9.82
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.
2r2d ZN-DEPENDENT
HYDROLASES

(Agrobacterium
fabrum) 		PF00753
(Lactamase_B) 		4 TYR A 275
GLN A 205
THR A 254
LEU A 256
 GOL  A 281 (-4.4A)
GOL  A 281 ( 4.3A)
GOL  A 281 ( 4.6A)
None
 1.14A 6d8pA-2r2dA:
undetectable		 6d8pA-2r2dA:
18.50
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.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		4 GLN A 113
ASN A 114
THR A 117
LEU A  29
 None
 1.36A 6d8pA-2ybxA:
undetectable		 6d8pA-2ybxA:
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.
3gz5 MUTT/NUDIX FAMILY
PROTEIN

(Shewanella
oneidensis) 		PF00293
(NUDIX) 		4 TYR A 159
GLN A 155
THR A 154
LEU A 184
 None
 1.15A 6d8pA-3gz5A:
undetectable		 6d8pA-3gz5A:
15.22
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		4 GLN A  64
ASN A  61
THR A 324
LEU A 296
 None
 1.39A 6d8pA-3lscA:
1.7		 6d8pA-3lscA:
21.42
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 TYR A 426
ASN A 382
THR A 380
LEU A 462
 None
 1.43A 6d8pA-4a5qA:
1.4		 6d8pA-4a5qA:
22.42
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 TYR A 161
GLN A 165
THR A 171
LEU A 174
 None
 1.12A 6d8pA-4fgvA:
undetectable		 6d8pA-4fgvA:
21.17
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 GLN A   5
ASN A   9
THR A   8
LEU A  12
 NAG  A1001 (-4.7A)
NAG  A1001 (-2.3A)
None
None
 1.14A 6d8pA-4j5tA:
undetectable		 6d8pA-4j5tA:
19.86
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 GLN A 322
ASN A 346
THR A 345
LEU A 369
 None
NAG  A2001 (-1.8A)
None
NAG  A2001 ( 4.4A)
 1.22A 6d8pA-4lxrA:
undetectable		 6d8pA-4lxrA:
23.33
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.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		4 GLN A 292
ASN A 320
THR A 304
LEU A 322
 None
 1.05A 6d8pA-4nesA:
3.9		 6d8pA-4nesA:
19.55
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.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLN A 371
ASN A 372
THR A 322
LEU A 236
 None
 1.42A 6d8pA-4wjlA:
undetectable		 6d8pA-4wjlA:
22.73
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.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		4 TYR A 335
GLN A 250
ASN A 260
LEU A 252
 None
 1.23A 6d8pA-4wu0A:
undetectable		 6d8pA-4wu0A:
19.12
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.
4wuv 2-HYDROXYCYCLOHEXANE
CARBOXYL-COA
DEHYDROGENASE

(Haemophilus
influenzae) 		PF00106
(adh_short) 		4 TYR A 141
ASN A 165
THR A 192
LEU A 195
 EDO  A 302 (-4.3A)
None
None
None
 1.46A 6d8pA-4wuvA:
2.4		 6d8pA-4wuvA:
18.10
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.
4xzc NUCLEOPROTEIN

(Nairobi sheep
disease
orthonairovirus) 		PF02477
(Nairo_nucleo) 		4 GLN A 284
ASN A 222
THR A 280
LEU A 277
 None
 1.41A 6d8pA-4xzcA:
undetectable		 6d8pA-4xzcA:
20.23
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.
4zd6 HALOHYDRIN EPOXIDASE
B

(Corynebacterium
sp.) 		PF13561
(adh_short_C2) 		4 TYR A 116
GLN A 161
ASN A 166
THR A 164
 None
CL  A 301 (-4.3A)
CL  A 301 (-3.8A)
CL  A 301 (-4.5A)
 1.43A 6d8pA-4zd6A:
4.4		 6d8pA-4zd6A:
14.41
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.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 4 TYR A 366
ASN A 388
THR A 234
LEU A 236
 None
 1.34A 6d8pA-5ah1A:
1.1		 6d8pA-5ah1A:
20.05
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.
5fka STAPHYLOCOCCAL
ENTEROTOXIN E

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 TYR C 205
GLN C  95
THR C 208
LEU C 209
 None
 1.35A 6d8pA-5fkaC:
undetectable		 6d8pA-5fkaC:
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.
5k04 UNCHARACTERIZED
PROTEIN
N-TERMINAL
ACETYLTRANSFERASE B
COMPLEX SUBUNIT NAT3

(Candida
albicans;
Candida
albicans) 		PF09797
(NatB_MDM20)
PF08445
(FR47) 		4 GLN B  41
ASN A 485
THR A 180
LEU A 210
 None
 1.36A 6d8pA-5k04B:
undetectable		 6d8pA-5k04B:
12.26
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 4 GLN A 129
ASN A 104
THR A 201
LEU A 204
 None
 1.21A 6d8pA-5m41A:
undetectable		 6d8pA-5m41A:
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.
5mz6 SEPARASE

(Caenorhabditis
elegans) 		PF03568
(Peptidase_C50) 		4 TYR 1 904
GLN 1 931
THR 1 937
LEU 1 941
 None
 1.42A 6d8pA-5mz61:
3.3		 6d8pA-5mz61:
21.02
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.
5ngd PORTAL PROTEIN

(Thermus virus
P74-26) 		no annotation 4 TYR A  74
ASN A  70
THR A 318
LEU A 321
 None
 1.26A 6d8pA-5ngdA:
undetectable		 6d8pA-5ngdA:
21.13
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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E

(Mus musculus) 		no annotation 4 TYR A1310
GLN A1339
THR A1342
LEU A1346
 None
 1.36A 6d8pA-5yudA:
undetectable		 6d8pA-5yudA:
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.
6d95 -

(-) 		no annotation 5 TYR A 494
GLN A 497
ASN A 498
THR A 733
LEU A 734
 None
None
U  B   2 ( 3.9A)
None
C  B   4 ( 4.1A)
 0.20A 6d8pA-6d95A:
54.1		 6d8pA-6d95A:
undetectable