SIMILAR PATTERNS OF AMINO ACIDS FOR 3CAS_A_ASDA332

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.
1a68 POTASSIUM CHANNEL
KV1.1

(Aplysia
californica) 		PF02214
(BTB_2) 		5 TYR A 149
ASN A  71
VAL A  69
VAL A  68
LEU A  84
 None
 1.44A 3casA-1a68A:
undetectable		 3casA-1a68A:
14.42
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ASN A 186
TRP A 185
VAL A 184
VAL A 163
LEU A 488
 None
 1.30A 3casA-1knrA:
undetectable		 3casA-1knrA:
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 ASN A 316
TRP A 315
VAL A 314
VAL A 313
LEU A 338
 ADP  A 396 (-3.2A)
None
None
None
None
 1.17A 3casA-1phpA:
undetectable		 3casA-1phpA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TRP A  86
TRP A 227
VAL A 228
VAL A 306
 None
 1.14A 3casA-1q5mA:
50.2		 3casA-1q5mA:
59.76
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.
1up2 CELA1 PROTEIN

(Mycobacterium
tuberculosis) 		PF01341
(Glyco_hydro_6) 		5 TRP A 186
TYR A 183
SER A 272
VAL A 241
LEU A 233
 None
 1.43A 3casA-1up2A:
4.8		 3casA-1up2A:
23.40
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.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		5 TRP A 281
TYR A 193
SER A 251
VAL A 210
VAL A 219
 None
None
None
CA  A1004 (-4.9A)
MG  A1102 (-4.7A)
 1.46A 3casA-1vclA:
undetectable		 3casA-1vclA:
22.04
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.
2a79 POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY A
MEMBER 2

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF02214
(BTB_2) 		5 TYR B 116
ASN B  38
VAL B  36
VAL B  35
LEU B  51
 None
 1.47A 3casA-2a79B:
undetectable		 3casA-2a79B:
20.94
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.
2d4r HYPOTHETICAL PROTEIN
TTHA0849

(Thermus
thermophilus) 		PF03364
(Polyketide_cyc) 		5 ASN A  75
TRP A  91
VAL A  92
VAL A 102
LEU A 135
 None
 1.39A 3casA-2d4rA:
undetectable		 3casA-2d4rA:
19.46
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.
2e6k TRANSKETOLASE

(Thermus
thermophilus) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 TYR A 399
TRP A 177
ASN A 380
VAL A 453
LEU A 413
 None
 1.18A 3casA-2e6kA:
undetectable		 3casA-2e6kA:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		6 TYR A  24
TRP A  86
THR A 221
TRP A 227
VAL A 228
VAL A 306
 None
None
NAP  A1001 (-4.7A)
None
None
None
 0.79A 3casA-2fvlA:
50.8		 3casA-2fvlA:
56.13
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.
2htm THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF05690
(ThiG) 		5 TYR A  22
SER A  13
VAL A  39
VAL A  64
LEU A  61
 None
 1.45A 3casA-2htmA:
6.1		 3casA-2htmA:
21.90
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.
2nt2 PROTEIN PHOSPHATASE
SLINGSHOT HOMOLOG 2

(Homo sapiens) 		PF00782
(DSPc) 		5 THR A 402
SER A 401
VAL A 340
VAL A 390
LEU A 389
 None
 1.46A 3casA-2nt2A:
undetectable		 3casA-2nt2A:
20.25
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 5 TYR A 217
THR A 167
SER A 168
ASN A 169
LEU A 210
 None
 1.20A 3casA-2po4A:
undetectable		 3casA-2po4A:
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.
3but UNCHARACTERIZED
PROTEIN AF_0446

(Archaeoglobus
fulgidus) 		PF03168
(LEA_2) 		5 ASN A  44
TRP A  81
VAL A  46
VAL A  48
LEU A  78
 None
 1.32A 3casA-3butA:
undetectable		 3casA-3butA:
17.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		9 TYR A  26
TRP A  89
TYR A 132
THR A 224
SER A 225
ASN A 227
VAL A 231
VAL A 309
LEU A 311
 CI2  A 328 ( 4.0A)
None
None
None
NAP  A 327 (-4.6A)
None
None
CI2  A 328 ( 4.9A)
None
 0.58A 3casA-3cavA:
56.3		 3casA-3cavA:
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.
3ez1 AMINOTRANSFERASE
MOCR FAMILY

(Deinococcus
geothermalis) 		PF12897
(Aminotran_MocR) 		5 TYR A 335
THR A 351
VAL A 355
VAL A 359
LEU A 362
 None
 1.43A 3casA-3ez1A:
undetectable		 3casA-3ez1A:
19.82
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.
3fn9 PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 TYR A 472
ASN A 451
VAL A 420
VAL A 383
LEU A 163
 None
 1.28A 3casA-3fn9A:
9.0		 3casA-3fn9A:
18.22
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.
3rsc CALG2

(Micromonospora
echinospora) 		PF04101
(Glyco_tran_28_C) 		5 TYR A  80
TRP A 179
VAL A 176
VAL A 175
LEU A 162
 C0T  A 398 (-3.3A)
None
None
None
None
 1.42A 3casA-3rscA:
undetectable		 3casA-3rscA:
20.00
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.
3vwc SERINE PROTEASE
INHIBITOR 1

(Coprinopsis
cinerea) 		PF16850
(Inhibitor_I66) 		5 TRP A  47
THR A 105
SER A 104
VAL A 123
LEU A  72
 None
 1.49A 3casA-3vwcA:
undetectable		 3casA-3vwcA:
19.88
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.
4fk9 CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF00150
(Cellulase) 		5 TYR A 156
ASN A 174
VAL A 172
VAL A 171
LEU A 164
 None
 1.13A 3casA-4fk9A:
9.2		 3casA-4fk9A:
21.66
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.
4ica MATRIX PROTEIN P15

(Feline
immunodeficiency
virus) 		no annotation 5 TRP A   9
THR A  46
SER A  45
VAL A  63
LEU A  60
 None
 1.09A 3casA-4icaA:
undetectable		 3casA-4icaA:
17.99
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.
4rgl FILAMENTATION
INDUCED BY CAMP
PROTEIN FIC

(Desulfovibrio
alaskensis) 		PF02661
(Fic) 		5 TRP A 203
THR A  51
ASN A  47
VAL A 212
LEU A 247
 None
 1.43A 3casA-4rglA:
undetectable		 3casA-4rglA:
21.64
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.
4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		5 TYR A   4
ASN A   8
VAL A  24
VAL A 113
LEU A  68
 None
 1.41A 3casA-4wi0A:
undetectable		 3casA-4wi0A:
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.
4wyk NTF2-RELATED EXPORT
PROTEIN 1

(Homo sapiens) 		PF02136
(NTF2) 		5 TYR B  25
TYR B  39
VAL B  94
VAL B  93
LEU B 115
 None
 1.37A 3casA-4wykB:
undetectable		 3casA-4wykB:
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TRP A 121
THR A 303
VAL A 296
VAL A 603
LEU A 593
 None
 1.50A 3casA-4z26A:
undetectable		 3casA-4z26A:
18.47
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 THR A 183
SER A 180
VAL A 156
VAL A 205
LEU A 253
 None
 1.23A 3casA-5a7mA:
3.4		 3casA-5a7mA:
17.35
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 THR A 540
SER A 534
VAL A 497
VAL A 542
LEU A 544
 None
 1.48A 3casA-5nbsA:
undetectable		 3casA-5nbsA:
14.63
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 TYR A 307
THR A 309
VAL A 319
VAL A 321
LEU A 274
 None
 1.09A 3casA-5ur2A:
8.4		 3casA-5ur2A:
15.04
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.
5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1 BETA
SUBCOMPLEX SUBUNIT
5, MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2

(Homo sapiens) 		no annotation 5 TYR a 171
THR i 201
ASN i 197
VAL i 193
LEU i 149
 None
 1.43A 3casA-5xtca:
undetectable		 3casA-5xtca:
21.52
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.
6c80 CYTOKININ OXIDASE
LUCKX1.1

(Linum
usitatissimum) 		no annotation 5 TYR A  53
THR A 235
SER A 143
ASN A 126
VAL A  82
 None
 1.47A 3casA-6c80A:
undetectable		 3casA-6c80A:
14.65
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.
6d2v TERB OXIDOREDUCTASE

(Streptomyces) 		no annotation 5 TRP A 236
ASN A  27
VAL A  29
VAL A   8
LEU A  75
 None
 1.46A 3casA-6d2vA:
undetectable		 3casA-6d2vA:
13.77
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.
6fao GLYCOSIDE HYDROLASE
FAMILY 6

(metagenome) 		no annotation 5 TRP A  97
TYR A  94
SER A 186
VAL A 154
LEU A 145
 None
 1.45A 3casA-6faoA:
4.8		 3casA-6faoA:
13.61