SIMILAR PATTERNS OF AMINO ACIDS FOR 4PE5_B_QELB920_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.
1a0p SITE-SPECIFIC
RECOMBINASE XERD

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		5 TYR A  85
ALA A   6
GLN A  10
ILE A   8
PHE A  11
 None
 1.26A 4pe5A-1a0pA:
undetectable
4pe5B-1a0pA:
undetectable		 4pe5A-1a0pA:
17.19
4pe5B-1a0pA:
15.91
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.
1dcz TRANSCARBOXYLASE
1.3S SUBUNIT

(Propionibacterium
freudenreichii) 		PF00364
(Biotin_lipoyl) 		5 THR A  75
LEU A  69
ALA A  96
ILE A 122
GLU A  93
 None
 1.42A 4pe5A-1dczA:
undetectable
4pe5B-1dczA:
undetectable		 4pe5A-1dczA:
7.24
4pe5B-1dczA:
6.80
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 THR A 365
LEU A 332
ALA A 302
GLN A 309
ILE A 307
 None
 1.27A 4pe5A-1pn3A:
4.7
4pe5B-1pn3A:
3.3		 4pe5A-1pn3A:
19.37
4pe5B-1pn3A:
18.04
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.
1yf8 BETA-GALACTOSIDE-SPE
CIFIC LECTIN 4

(Viscum album) 		PF00161
(RIP) 		5 LEU A 233
ALA A 161
ILE A  21
PHE A  18
PRO A  38
 None
 1.20A 4pe5A-1yf8A:
undetectable
4pe5B-1yf8A:
undetectable		 4pe5A-1yf8A:
13.98
4pe5B-1yf8A:
13.78
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.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		5 TYR A 152
LEU A  63
ALA A  17
ILE A 156
PHE A 155
 None
 1.47A 4pe5A-1yp4A:
undetectable
4pe5B-1yp4A:
1.2		 4pe5A-1yp4A:
21.81
4pe5B-1yp4A:
20.24
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.
1yts YERSINIA PROTEIN
TYROSINE PHOSPHATASE

(Yersinia
enterocolitica) 		PF00102
(Y_phosphatase) 		5 TYR A 248
THR A 238
LEU A 244
ALA A 258
ILE A 249
 None
 1.08A 4pe5A-1ytsA:
2.5
4pe5B-1ytsA:
2.6		 4pe5A-1ytsA:
15.53
4pe5B-1ytsA:
16.18
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		5 TYR A  26
THR A  39
LEU A 106
ALA A 389
ILE A  27
 None
 1.38A 4pe5A-2e0pA:
undetectable
4pe5B-2e0pA:
0.2		 4pe5A-2e0pA:
22.83
4pe5B-2e0pA:
20.39
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.
2p18 GLYOXALASE II

(Leishmania
infantum) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 TYR A 146
THR A 162
ALA A 136
ILE A 134
GLU A 176
 None
 1.32A 4pe5A-2p18A:
undetectable
4pe5B-2p18A:
1.1		 4pe5A-2p18A:
17.41
4pe5B-2p18A:
16.40
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 ARG A1262
GLN A 870
PHE A 880
PRO A 842
GLU A 849
 None
 1.42A 4pe5A-3av6A:
1.2
4pe5B-3av6A:
1.6		 4pe5A-3av6A:
20.03
4pe5B-3av6A:
21.36
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.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		5 THR A  89
LEU A 149
ALA A 376
ILE A  42
GLU A 254
 None
 1.21A 4pe5A-3clwA:
undetectable
4pe5B-3clwA:
undetectable		 4pe5A-3clwA:
22.17
4pe5B-3clwA:
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		5 THR A  14
ALA A 190
ILE A 192
PHE A 211
GLU A 185
 None
 1.43A 4pe5A-3e96A:
2.0
4pe5B-3e96A:
undetectable		 4pe5A-3e96A:
17.01
4pe5B-3e96A:
16.55
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.
3wnv GLYOXYLATE REDUCTASE

(Paecilomyces
sp.
'thermophila') 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 TYR A  55
LEU A  22
ALA A  53
ILE A  54
GLU A 316
 None
 1.48A 4pe5A-3wnvA:
5.7
4pe5B-3wnvA:
6.4		 4pe5A-3wnvA:
17.13
4pe5B-3wnvA:
18.37
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.
4g7v VOLTAGE-SENSOR
CONTAINING
PHOSPHATASE

(Ciona
intestinalis) 		PF00520
(Ion_trans) 		5 TYR S 150
ARG S 223
LEU S 137
GLN S 147
PHE S 149
 None
 1.02A 4pe5A-4g7vS:
undetectable
4pe5B-4g7vS:
undetectable		 4pe5A-4g7vS:
13.40
4pe5B-4g7vS:
10.73
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.
4he8 NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 8

(Thermus
thermophilus) 		no annotation 5 TYR H 249
LEU H  33
ALA H  27
ILE H 253
PHE H 252
 None
 1.48A 4pe5A-4he8H:
undetectable
4pe5B-4he8H:
undetectable		 4pe5A-4he8H:
17.90
4pe5B-4he8H:
17.90
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.
4rho UNCHARACTERIZED
PROTEIN

(Burkholderia
pseudomallei) 		PF15579
(Imm52) 		5 LEU A 173
ALA A 150
ILE A   3
PHE A 116
PRO A 165
 None
 1.38A 4pe5A-4rhoA:
undetectable
4pe5B-4rhoA:
undetectable		 4pe5A-4rhoA:
17.35
4pe5B-4rhoA:
15.09
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.
4tll RECEPTOR SUBUNIT
GLUN2B

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 ALA B 102
GLN B 105
ILE B 106
PHE B 109
PRO B 172
GLU B 231
 QEM  B 901 ( 4.0A)
QEM  B 901 (-3.3A)
QEM  B 901 (-4.6A)
QEM  B 901 (-4.4A)
QEM  B 901 (-4.5A)
QEM  B 901 (-3.1A)
 0.48A 4pe5A-4tllB:
30.1
4pe5B-4tllB:
35.9		 4pe5A-4tllB:
29.93
4pe5B-4tllB:
86.11
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.
4z3y BENZOYL-COA
REDUCTASE, PUTATIVE

(Geobacter
metallireducens) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 LEU A  59
ALA A  63
ILE A  79
PHE A  92
GLU A  11
 None
 1.29A 4pe5A-4z3yA:
undetectable
4pe5B-4z3yA:
undetectable		 4pe5A-4z3yA:
21.77
4pe5B-4z3yA:
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.
5bqm SOMATOLIBERIN,BOTULI
NUM NEUROTOXIN TYPE
D

(Clostridium
botulinum;
Homo sapiens) 		PF07952
(Toxin_trans) 		5 TYR B 641
THR B 627
LEU B 644
ALA B 799
ILE B 640
 None
 1.44A 4pe5A-5bqmB:
0.4
4pe5B-5bqmB:
undetectable		 4pe5A-5bqmB:
20.66
4pe5B-5bqmB:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU A 740
ALA B1083
GLN B1084
ILE B1085
PHE B1086
 None
 1.32A 4pe5A-5ip9A:
undetectable
4pe5B-5ip9A:
undetectable		 4pe5A-5ip9A:
18.04
4pe5B-5ip9A:
19.90
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.
5olc GALACTONATE
DEHYDRATASE

(Zobellia
galactanivorans) 		no annotation 5 TYR A  43
THR A  37
ALA A 104
ILE A 108
GLU A  47
 None
 1.13A 4pe5A-5olcA:
2.1
4pe5B-5olcA:
2.2		 4pe5A-5olcA:
8.05
4pe5B-5olcA:
7.90
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ARG A 180
ALA A 131
ILE A 128
PHE A 125
GLU A 136
 None
 1.40A 4pe5A-5thkA:
6.3
4pe5B-5thkA:
2.7		 4pe5A-5thkA:
16.19
4pe5B-5thkA:
14.51
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.
5tpz GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 ALA D 107
GLN D 110
PHE D 114
PRO D 177
GLU D 236
 None
 0.55A 4pe5A-5tpzD:
28.3
4pe5B-5tpzD:
23.2		 4pe5A-5tpzD:
18.70
4pe5B-5tpzD:
99.72
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.
5up2 N-METHYL-D-ASPARTATE
RECEPTOR SUBUNIT
NR2A

(Xenopus laevis) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ALA B 100
ILE B 104
PHE B 107
PRO B 170
GLU B 227
 None
 0.81A 4pe5A-5up2B:
25.1
4pe5B-5up2B:
28.2		 4pe5A-5up2B:
29.17
4pe5B-5up2B:
71.05
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.
5wkh D30 TCR BETA CHAIN
T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968)
no annotation 		5 THR E 120
ALA D  49
ILE D  51
PHE D  52
PRO E  50
 None
 1.27A 4pe5A-5wkhE:
undetectable
4pe5B-5wkhE:
undetectable		 4pe5A-5wkhE:
15.39
4pe5B-5wkhE:
15.99
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 5 TYR A  76
THR A  77
LEU A  71
ALA A  48
ILE A  79
 None
 1.28A 4pe5A-5xstA:
undetectable
4pe5B-5xstA:
undetectable		 4pe5A-5xstA:
7.46
4pe5B-5xstA:
6.87