SIMILAR PATTERNS OF AMINO ACIDS FOR 1M4D_A_TOYA500

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.
1elv COMPLEMENT C1S
COMPONENT

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 PHE A 511
ASP A 514
SER A 612
SER A 617
ALA A 445
 None
None
None
SO4  A2001 ( 2.7A)
None
 1.50A 1m4dA-1elvA:
0.0		 1m4dA-1elvA:
19.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9) 		9 PHE A  32
ASP A  35
ASP A  40
GLU A  82
SER A 117
ALA A 120
ASP A 152
THR A 155
ASP A 179
 COA  A 600 ( 3.7A)
KAN  A 500 (-3.4A)
KAN  A 500 (-3.4A)
KAN  A 500 (-3.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
KAN  A 500 ( 4.3A)
 0.50A 1m4dA-1m4iA:
35.1		 1m4dA-1m4iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9) 		5 SER A 117
SER A 119
ALA A 120
ASP A 152
THR A 155
 KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 ( 4.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
 0.56A 1m4dA-1m4iA:
35.1		 1m4dA-1m4iA:
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PHE A 646
SER A 527
SER A 564
ALA A 502
THR A 358
 None
 1.47A 1m4dA-1tkcA:
0.0		 1m4dA-1tkcA:
13.43
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.
2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
agalactiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ASP A  13
GLU A  46
ALA A 294
THR A 257
ASP A 205
 MN  A 401 (-2.6A)
None
None
None
MG  A 501 ( 4.0A)
 1.47A 1m4dA-2enxA:
0.0		 1m4dA-2enxA:
21.14
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.
3d3q TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Staphylococcus
epidermidis) 		PF01715
(IPPT) 		5 PHE A  76
ALA A 246
ASP A  48
THR A  51
ASP A  68
 None
 1.48A 1m4dA-3d3qA:
undetectable		 1m4dA-3d3qA:
16.42
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.
3hvm AGMATINE DEIMINASE

(Helicobacter
pylori) 		PF04371
(PAD_porph) 		5 GLU A 140
ALA A 207
ASP A 197
THR A 205
ASP A 200
 None
 1.21A 1m4dA-3hvmA:
0.2		 1m4dA-3hvmA:
18.84
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.
3kl9 GLUTAMYL
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF05343
(Peptidase_M42) 		5 ASP A  68
SER A  65
ALA A  64
THR A 309
ASP A 181
 None
None
None
None
ZN  A 356 ( 2.4A)
 1.42A 1m4dA-3kl9A:
0.0		 1m4dA-3kl9A:
22.88
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.
3l84 TRANSKETOLASE

(Campylobacter
jejuni) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PHE A 615
ASP A 611
SER A 498
ALA A 474
THR A 340
 None
 1.30A 1m4dA-3l84A:
0.0		 1m4dA-3l84A:
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.
3l84 TRANSKETOLASE

(Campylobacter
jejuni) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PHE A 615
ASP A 611
SER A 498
SER A 535
ALA A 474
 None
 1.19A 1m4dA-3l84A:
0.0		 1m4dA-3l84A:
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLU A  62
SER A  64
ALA A  21
THR A  47
ASP A  91
 None
None
None
None
SO4  A 590 (-3.8A)
 1.50A 1m4dA-3n05A:
0.0		 1m4dA-3n05A:
18.23
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 ASP A1024
SER A1062
SER A1060
ASP A1064
THR A1066
 None
 1.47A 1m4dA-3sfzA:
undetectable		 1m4dA-3sfzA:
9.73
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PHE A 671
SER A 543
SER A 586
ALA A 519
THR A 376
 None
 1.37A 1m4dA-3uk1A:
undetectable		 1m4dA-3uk1A:
15.84
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASP A  94
SER A 226
SER A 149
ALA A 150
ASP A 250
 ZN  A1595 (-2.4A)
None
None
None
ZN  A1595 ( 3.2A)
 1.48A 1m4dA-3zu0A:
undetectable		 1m4dA-3zu0A:
15.52
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ASP A 589
ASP A 367
SER A 396
ALA A 650
ASP A 373
 None
 1.46A 1m4dA-4cakA:
undetectable		 1m4dA-4cakA:
11.54
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 ASP A 361
GLU A 395
ALA A 563
THR A 462
ASP A 401
 CA  A1576 (-2.2A)
None
None
None
CA  A1576 ( 4.9A)
 1.50A 1m4dA-4cj0A:
undetectable		 1m4dA-4cj0A:
14.10
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 PHE A 323
ASP A 255
SER A  52
THR A  49
ASP A 128
 None
GOL  A 401 (-2.7A)
GOL  A 401 ( 4.4A)
None
GOL  A 401 (-2.8A)
 1.47A 1m4dA-4yv7A:
undetectable		 1m4dA-4yv7A:
19.05
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 PHE A1403
ASP A1361
GLU A1292
SER A1295
ALA A1370
 None
 1.45A 1m4dA-5a31A:
undetectable		 1m4dA-5a31A:
8.11
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.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum) 		PF00463
(ICL) 		5 ASP A 126
SER A 110
SER A 115
ALA A 116
ASP A 123
 None
None
None
None
MN  A 601 ( 4.0A)
 1.47A 1m4dA-5e9hA:
1.5		 1m4dA-5e9hA:
15.96
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.
5erd DESMOGLEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 ASP A 215
SER A 123
ALA A 124
THR A 177
ASP A 218
 CA  A 619 (-3.3A)
None
None
None
CA  A 620 ( 2.4A)
 1.45A 1m4dA-5erdA:
undetectable		 1m4dA-5erdA:
14.18
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.
5j5j DESMOCOLLIN-2,DESMOG
LEIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 ASP A 213
SER A 121
ALA A 122
THR A 175
ASP A 216
 CA  A 626 (-3.2A)
None
None
None
CA  A 626 ( 2.9A)
 1.38A 1m4dA-5j5jA:
undetectable		 1m4dA-5j5jA:
14.73
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 PHE A1403
ASP A1361
GLU A1292
SER A1295
ALA A1370
 None
 1.42A 1m4dA-5lcwA:
undetectable		 1m4dA-5lcwA:
6.17
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 PHE A 355
SER A 446
SER A 375
ASP A 442
THR A 443
 None
None
None
GLC  A 501 ( 2.6A)
None
 1.45A 1m4dA-5od2A:
undetectable		 1m4dA-5od2A:
14.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5us1 AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Providencia
stuartii) 		PF13673
(Acetyltransf_10) 		7 PHE A  29
ASP A  32
ASP A  37
GLU A  79
SER A 114
SER A 116
ASP A 176
 8MM  A 201 ( 4.9A)
8MM  A 201 ( 4.5A)
8MM  A 201 (-3.3A)
8MM  A 201 (-4.5A)
8MM  A 201 (-3.3A)
8MM  A 201 (-3.7A)
8MM  A 201 (-4.4A)
 0.62A 1m4dA-5us1A:
27.9		 1m4dA-5us1A:
33.52
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.
6dft -

(-) 		no annotation 5 GLU B 103
SER B  72
ALA B  69
THR B  71
ASP B 213
 NAD  B 500 (-3.9A)
NAD  B 500 (-3.6A)
None
NAD  B 500 (-3.0A)
NAD  B 500 (-3.4A)
 1.31A 1m4dA-6dftB:
undetectable		 1m4dA-6dftB:
undetectable