SIMILAR PATTERNS OF AMINO ACIDS FOR 3HII_A_PNTA901_0

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.
1jiu DNA
BETA-GLUCOSYLTRANSFE
RASE

(Escherichia
virus T4) 		PF09198
(T4-Gluco-transf) 		5 TYR A 261
THR A  99
ASP A 100
GLY A 187
TYR A 186
 UDP  A 353 (-4.7A)
None
None
UDP  A 353 ( 4.2A)
None
 0.91A 3hiiA-1jiuA:
0.0		 3hiiA-1jiuA:
18.91
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.
1m1j FIBRINOGEN BETA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 ASP B 402
GLY B 438
SER B 450
VAL B 440
TYR B 421
 None
 1.32A 3hiiA-1m1jB:
0.0		 3hiiA-1m1jB:
18.78
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 ASP A 354
TYR A 450
ASP A 452
TRP A 489
GLY A 490
 IFG  A 557 (-3.6A)
IFG  A 557 (-4.6A)
IFG  A 557 (-3.2A)
IFG  A 557 (-3.6A)
None
 1.38A 3hiiA-1nowA:
undetectable		 3hiiA-1nowA:
20.08
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.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		5 THR A  87
ASP A  54
GLY A  49
SER A  10
ASN A  94
 None
 1.17A 3hiiA-1yzfA:
0.0		 3hiiA-1yzfA:
13.68
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.
2a7n L(+)-MANDELATE
DEHYDROGENASE

(Pseudomonas
putida;
Spinacia
oleracea) 		PF01070
(FMN_dh) 		5 TYR A 131
TYR A  26
GLY A 256
SER A 285
ASN A  83
 FMN  A 390 (-4.2A)
FMN  A 390 (-4.2A)
FMN  A 390 (-3.2A)
FMN  A 390 (-3.9A)
None
 1.28A 3hiiA-2a7nA:
0.0		 3hiiA-2a7nA:
19.95
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.
2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE

(Escherichia
coli) 		PF02734
(Dak2) 		5 THR A 195
ASP A 191
ASP A  37
GLY A  78
VAL A  76
 None
ADP  A1211 (-2.5A)
ADP  A1211 (-2.5A)
ADP  A1211 (-3.5A)
None
 1.38A 3hiiA-2btdA:
0.0		 3hiiA-2btdA:
14.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 TYR A 176
TYR A 384
ASP A 386
GLY A 390
ASN A 470
 None
PAQ  A 471 ( 3.6A)
PAQ  A 471 ( 2.6A)
None
PAQ  A 471 ( 3.3A)
 0.82A 3hiiA-2c11A:
53.5		 3hiiA-2c11A:
39.55
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.
2p5i BH3822 PROTEIN

(Bacillus
halodurans) 		PF03099
(BPL_LplA_LipB) 		5 TYR A 149
GLY A 102
SER A 184
VAL A 183
TYR A 180
 None
 1.48A 3hiiA-2p5iA:
0.0		 3hiiA-2p5iA:
18.66
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.
2q0q ARYL ESTERASE

(Mycolicibacterium
smegmatis) 		PF13472
(Lipase_GDSL_2) 		5 THR A  35
GLY A 183
SER A 184
VAL A 185
ASN A 201
 None
 1.49A 3hiiA-2q0qA:
0.0		 3hiiA-2q0qA:
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.
2qww TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY

(Listeria
monocytogenes) 		PF12802
(MarR_2) 		5 THR A  39
GLY A  82
SER A 103
VAL A  84
ASN A  74
 None
 1.42A 3hiiA-2qwwA:
undetectable		 3hiiA-2qwwA:
11.46
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.
2xot AMPHOTERIN-INDUCED
PROTEIN 1

(Mus musculus) 		PF07679
(I-set)
PF13855
(LRR_8) 		5 TYR A 142
ASP A  67
SER A  90
TYR A 114
ASN A  96
 None
 1.42A 3hiiA-2xotA:
2.1		 3hiiA-2xotA:
18.73
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.
3bvh FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 ASP B 398
GLY B 434
SER B 446
VAL B 436
TYR B 417
 None
 1.40A 3hiiA-3bvhB:
undetectable		 3hiiA-3bvhB:
15.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		12 TYR A 148
THR A 185
ASP A 186
TYR A 371
ASP A 373
TRP A 376
GLY A 377
SER A 380
VAL A 381
TYR A 404
TYR A 459
ASN A 460
 BRN  A 901 (-3.7A)
BRN  A 901 ( 4.2A)
BRN  A 901 (-3.9A)
BRN  A 901 (-3.3A)
BRN  A 901 (-3.3A)
BRN  A 901 (-3.5A)
None
None
None
None
BRN  A 901 (-3.2A)
TPQ  A 461 ( 3.3A)
 0.38A 3hiiA-3higA:
67.6		 3hiiA-3higA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		6 TYR A 148
THR A 185
ASP A 373
GLY A 375
TYR A 459
ASN A 460
 BRN  A 901 (-3.7A)
BRN  A 901 ( 4.2A)
BRN  A 901 (-3.3A)
None
BRN  A 901 (-3.2A)
TPQ  A 461 ( 3.3A)
 1.42A 3hiiA-3higA:
67.6		 3hiiA-3higA:
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 TYR A 926
SER A 847
VAL A 846
TYR A 956
ASN A 960
 None
 1.35A 3hiiA-3iayA:
2.2		 3hiiA-3iayA:
21.10
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.
3ix1 N-FORMYL-4-AMINO-5-A
MINOMETHYL-2-METHYLP
YRIMIDINE BINDING
PROTEIN

(Bacillus
halodurans) 		PF09084
(NMT1) 		5 TYR A 139
ASP A 167
ASP A  74
SER A  89
TYR A  90
 None
None
None
None
NFM  A 401 (-3.9A)
 1.35A 3hiiA-3ix1A:
undetectable		 3hiiA-3ix1A:
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.
3olz GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 TYR A 234
THR A 230
ASP A 232
TYR A 122
GLY A 345
 None
 1.45A 3hiiA-3olzA:
1.5		 3hiiA-3olzA:
20.81
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.
3tgw V-TYPE ATP SYNTHASE
BETA CHAIN

(Methanosarcina
mazei) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 TYR A 252
THR A 282
ASP A 279
SER A  48
ASN A 111
 None
None
None
None
GOL  A 465 ( 3.6A)
 1.43A 3hiiA-3tgwA:
undetectable		 3hiiA-3tgwA:
22.15
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 ASP A 106
ASP A   9
GLY A  14
SER A 114
TYR A 117
 None
 1.10A 3hiiA-4aefA:
undetectable		 3hiiA-4aefA:
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 TYR A 188
ASP A   9
GLY A  14
SER A 114
TYR A 117
 None
 1.15A 3hiiA-4aefA:
undetectable		 3hiiA-4aefA:
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.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 ASP A 746
GLY A 707
VAL A 744
TYR A 653
TYR A 637
 None
 1.45A 3hiiA-4c4vA:
1.5		 3hiiA-4c4vA:
20.19
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.
4d6v G PROTEIN BETA
SUBUNIT GIB2

(Cryptococcus
neoformans) 		PF00400
(WD40) 		5 ASP A 304
GLY A  16
SER A  35
VAL A  18
ASN A  10
 None
 1.21A 3hiiA-4d6vA:
2.2		 3hiiA-4d6vA:
18.01
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 THR A1198
ASP A1199
ASP A1228
GLY A1230
TYR A1343
 None
 1.15A 3hiiA-4iglA:
undetectable		 3hiiA-4iglA:
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		5 ASP A 746
GLY A 707
VAL A 744
TYR A 653
TYR A 637
 None
 1.46A 3hiiA-4n75A:
1.5		 3hiiA-4n75A:
18.26
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.
4r31 URIDINE
PHOSPHORYLASE

(Actinobacillus
succinogenes) 		PF01048
(PNP_UDP_1) 		5 THR A 108
ASP A 115
GLY A  68
SER A  71
VAL A  72
 None
 1.09A 3hiiA-4r31A:
undetectable		 3hiiA-4r31A:
18.64
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 TYR A2812
THR A2013
ASP A2012
GLY A2700
SER A2729
 None
 1.49A 3hiiA-4tvcA:
0.9		 3hiiA-4tvcA:
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.
4yfz OUTER CAPSID PROTEIN
VP4

(Rotavirus A) 		no annotation 5 THR A 105
TYR A 191
GLY A 172
TYR A 166
ASN A 176
 None
 1.27A 3hiiA-4yfzA:
1.9		 3hiiA-4yfzA:
13.04
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 TYR A 257
THR A 295
TYR A 327
SER A 170
VAL A 169
 None
None
None
SAM  A 400 ( 4.8A)
None
 1.28A 3hiiA-5e72A:
undetectable		 3hiiA-5e72A:
20.16
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 TYR A 299
ASP A 303
GLY A 306
SER A 250
ASN A1301
 None
 1.20A 3hiiA-5gjvA:
undetectable		 3hiiA-5gjvA:
16.74
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 ASP A 361
TYR A 365
ASP A 348
GLY A 539
SER A 536
 None
 1.18A 3hiiA-5ho9A:
3.2		 3hiiA-5ho9A:
21.85
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.
5iys PHYTOENE SYNTHASE

(Enterococcus
hirae) 		PF00494
(SQS_PSY) 		5 TYR A 224
GLY A 137
SER A 138
VAL A 139
TYR A 249
 None
None
None
FPS  A 506 (-4.3A)
FPS  A 506 (-4.2A)
 1.39A 3hiiA-5iysA:
undetectable		 3hiiA-5iysA:
15.83
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.
5l7x MOUSE ANTIBODY FAB
FRAGMENT, IGG1-KAPPA
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TYR H  27
THR H  30
GLY H  97
SER H 100
ASN H  52
 None
 1.46A 3hiiA-5l7xH:
undetectable		 3hiiA-5l7xH:
15.06
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 TYR B 612
TRP B 876
GLY B 890
SER B 867
ASN B 909
 None
 1.28A 3hiiA-5nd1B:
undetectable		 3hiiA-5nd1B:
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.
5npu ANC27

(synthetic
construct) 		no annotation 5 TYR A  28
TYR A 123
ASP A 120
GLY A 107
SER A 108
 None
 1.43A 3hiiA-5npuA:
undetectable		 3hiiA-5npuA:
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.
5ols RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ASP A 246
GLY A 269
TYR A 270
TYR A 322
ASN A 324
 CA  A 602 (-2.5A)
None
None
GTR  A 608 (-4.9A)
RAM  A 607 (-2.8A)
 1.43A 3hiiA-5olsA:
undetectable		 3hiiA-5olsA:
20.93
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.
5uin FORMYLTRANSFERASE

(Salmonella
enterica) 		PF00551
(Formyl_trans_N)
PF13637
(Ank_4) 		5 ASP A  10
TYR A 372
GLY A  38
TYR A 335
ASN A 334
 None
 1.20A 3hiiA-5uinA:
undetectable		 3hiiA-5uinA:
18.13
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.
5uqd DUMPY: SHORTER THAN
WILD-TYPE

(Caenorhabditis
elegans) 		no annotation 5 TRP A1606
GLY A1406
SER A1357
VAL A1359
ASN A1378
 None
PG0  A1703 ( 4.5A)
None
None
None
 1.48A 3hiiA-5uqdA:
undetectable		 3hiiA-5uqdA:
20.62
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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		no annotation 5 TYR A 299
ASP A 303
GLY A 306
SER A 250
ASN A1301
 None
 1.18A 3hiiA-6byoA:
undetectable		 3hiiA-6byoA:
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 THR A 157
GLY A 424
SER A 423
TYR A 419
ASN A  99
 FAD  A 601 (-2.9A)
None
None
None
FAD  A 601 (-4.0A)
 1.32A 3hiiA-6f74A:
undetectable		 3hiiA-6f74A:
undetectable