SIMILAR PATTERNS OF AMINO ACIDS FOR 2YGP_A_PCFA1213_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.
1wl7 ARABINANASE-TS

(Geobacillus
thermodenitrificans) 		PF04616
(Glyco_hydro_43) 		5 ILE A 300
ILE A  30
PHE A   7
PRO A 302
PHE A 204
 None
 1.37A 2ygpA-1wl7A:
0.0		 2ygpA-1wl7A:
20.06
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 ILE A 240
ILE A 221
ILE A 207
PHE A 154
VAL A 126
 None
 1.27A 2ygpA-1ycgA:
0.0		 2ygpA-1ycgA:
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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP) 		5 ILE L  68
ILE L 172
PHE L  25
PHE L 127
VAL L 150
 None
 1.16A 2ygpA-2bfuL:
0.0		 2ygpA-2bfuL:
18.33
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.
2qn0 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 ILE A 226
ILE A 194
PHE A  86
ILE A  97
VAL A 136
 None
 1.41A 2ygpA-2qn0A:
0.0		 2ygpA-2qn0A:
17.54
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.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 ILE A 262
ILE A 197
PHE A 212
ILE A 111
PHE A 416
 None
None
None
HEM  A 450 (-4.3A)
None
 1.24A 2ygpA-2wm4A:
0.0		 2ygpA-2wm4A:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		7 ILE A  49
ILE A  55
PHE A  66
PRO A  78
ILE A  80
PHE A  89
VAL A 156
 PCF  A1179 (-4.8A)
PCF  A1179 ( 4.5A)
PCF  A1179 (-3.8A)
PCF  A1179 (-4.3A)
None
PCF  A1179 ( 3.8A)
None
 0.26A 2ygpA-2ygnA:
28.2		 2ygpA-2ygnA:
82.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		6 ILE A  49
ILE A  55
PRO A  78
ILE A  80
PHE A  89
VAL A 127
 PCF  A1179 (-4.8A)
PCF  A1179 ( 4.5A)
PCF  A1179 (-4.3A)
None
PCF  A1179 ( 3.8A)
None
 1.39A 2ygpA-2ygnA:
28.2		 2ygpA-2ygnA:
82.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygn WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		5 ILE A  55
PHE A  66
ARG A  76
ILE A  80
PHE A  89
 PCF  A1179 ( 4.5A)
PCF  A1179 (-3.8A)
MLY  A  72 (-4.5A)
None
PCF  A1179 ( 3.8A)
 1.39A 2ygpA-2ygnA:
28.2		 2ygpA-2ygnA:
82.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygo WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		8 ILE A  49
ILE A  55
PHE A  66
ARG A  76
PRO A  78
ILE A  80
PHE A  89
VAL A 156
 PCF  A1213 (-4.6A)
PCF  A1213 (-4.0A)
PCF  A1213 ( 3.6A)
PCF  A1213 (-3.6A)
PCF  A1213 (-4.0A)
None
PCF  A1213 (-4.1A)
None
 0.30A 2ygpA-2ygoA:
29.0		 2ygpA-2ygoA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygo WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF) 		6 ILE A  49
ILE A  55
PRO A  78
ILE A  80
PHE A  89
VAL A 127
 PCF  A1213 (-4.6A)
PCF  A1213 (-4.0A)
PCF  A1213 (-4.0A)
None
PCF  A1213 (-4.1A)
None
 1.47A 2ygpA-2ygoA:
29.0		 2ygpA-2ygoA:
99.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygq WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF)
PF12661
(hEGF) 		5 ILE A  49
ILE A  55
PHE A  66
PHE A  89
VAL A 156
 PCF  A1275 (-4.7A)
PCF  A1275 ( 4.4A)
None
PCF  A1275 (-4.6A)
None
 0.67A 2ygpA-2ygqA:
26.2		 2ygpA-2ygqA:
57.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ygq WNT INHIBITORY
FACTOR 1

(Homo sapiens) 		PF02019
(WIF)
PF12661
(hEGF) 		6 ILE A  55
PHE A  66
PRO A  78
ILE A  80
PHE A  89
VAL A 156
 PCF  A1275 ( 4.4A)
None
PCF  A1275 (-4.1A)
PCF  A1275 (-4.7A)
PCF  A1275 (-4.6A)
None
 0.60A 2ygpA-2ygqA:
26.2		 2ygpA-2ygqA:
57.72
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ILE A 209
ILE A 211
PHE A  34
ILE A 107
VAL A 252
 None
 1.41A 2ygpA-2yxxA:
0.0		 2ygpA-2yxxA:
19.73
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.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		5 ILE A  81
ILE A 148
PHE A  88
PRO A  83
ILE A 199
 None
 1.42A 2ygpA-3at7A:
undetectable		 2ygpA-3at7A:
23.96
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 ILE A 323
ILE A 338
ARG A 310
ILE A  90
VAL A 349
 None
 1.49A 2ygpA-3td9A:
undetectable		 2ygpA-3td9A:
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ILE A 133
ILE A 102
PHE A 176
ILE A 136
VAL A 115
 None
 1.11A 2ygpA-3tm5A:
undetectable		 2ygpA-3tm5A:
20.48
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.
3u7u RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 ILE A 417
ILE A 411
PHE A 422
ILE A 348
VAL A 402
 None
 1.37A 2ygpA-3u7uA:
undetectable		 2ygpA-3u7uA:
16.19
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 ILE A 256
PRO A 272
ILE A  87
PHE A  72
VAL A  28
 None
 1.16A 2ygpA-4dwqA:
undetectable		 2ygpA-4dwqA:
15.59
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.
4gk8 HISTIDINOL-PHOSPHATA
SE

(Lactococcus
lactis) 		PF02811
(PHP) 		5 ILE A 194
ILE A 223
PHE A 215
ILE A 105
PHE A 257
 None
 1.46A 2ygpA-4gk8A:
undetectable		 2ygpA-4gk8A:
21.25
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.
4h62 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 22

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF10156
(Med17)
no annotation 		5 ILE Q 647
ILE Q 645
PHE Q 667
ILE Q 619
VAL V 116
 None
None
None
None
MES  Q 701 (-4.9A)
 1.28A 2ygpA-4h62Q:
undetectable		 2ygpA-4h62Q:
18.85
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.
4jmn PROBABLE
L,D-TRANSPEPTIDASE
LDTA

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ILE A 131
ILE A 161
ILE A 227
PHE A 164
VAL A  89
 None
 1.50A 2ygpA-4jmnA:
undetectable		 2ygpA-4jmnA:
20.18
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 ILE D 687
PRO D 766
ILE D 768
PHE D 668
VAL D 585
 None
MLY  D 764 ( 4.5A)
MLY  D 769 ( 3.8A)
None
None
 1.23A 2ygpA-4ngeD:
undetectable		 2ygpA-4ngeD:
10.97
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.
5c93 HISTIDINE KINASE

(Lactobacillus
plantarum) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		5 ILE A 511
ILE A 538
PHE A 504
ILE A 486
PHE A 490
 None
 1.47A 2ygpA-5c93A:
undetectable		 2ygpA-5c93A:
20.91
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.
5exr DNA POLYMERASE ALPHA
SUBUNIT B

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		5 ILE D 367
ILE D 409
PHE D 422
ILE D 598
VAL D 389
 None
 1.28A 2ygpA-5exrD:
undetectable		 2ygpA-5exrD:
15.66
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 557
ILE A 646
ILE A 525
PHE A 638
VAL A 796
 None
 1.44A 2ygpA-5fjjA:
undetectable		 2ygpA-5fjjA:
13.28
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.
5jnb POLY(A) RNA
POLYMERASE GLD-2
RNP (RRM RNA BINDING
DOMAIN) CONTAINING

(Caenorhabditis
elegans;
Caenorhabditis
elegans) 		PF03828
(PAP_assoc)
no annotation 		5 ILE A 677
PHE E 207
ARG E 206
PHE A 877
VAL A 723
 None
 1.28A 2ygpA-5jnbA:
undetectable		 2ygpA-5jnbA:
20.91
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 ILE A 235
ILE A 216
PRO A 237
ILE A  80
VAL A 112
 None
None
None
HEM  A 501 (-4.4A)
None
 1.29A 2ygpA-5omsA:
undetectable		 2ygpA-5omsA:
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.
5t9x GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 ILE A 121
ILE A 300
PHE A  75
ILE A 169
VAL A  56
 None
 1.28A 2ygpA-5t9xA:
undetectable		 2ygpA-5t9xA:
16.51
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.
5tgn UNCHARACTERIZED
PROTEIN

(Sphaerobacter
thermophilus) 		PF12680
(SnoaL_2) 		5 ILE A  87
ILE A 103
PHE A  49
ILE A  61
PHE A  91
 GOL  A 202 ( 4.5A)
GOL  A 202 ( 4.2A)
None
None
None
 1.28A 2ygpA-5tgnA:
undetectable		 2ygpA-5tgnA:
19.79
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.
5vvw UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 ILE A 297
ARG A 275
PRO A 277
ILE A 257
VAL A 232
 None
 1.42A 2ygpA-5vvwA:
undetectable		 2ygpA-5vvwA:
19.62