SIMILAR PATTERNS OF AMINO ACIDS FOR 4I89_B_1FLB201_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gke TRANSTHYRETIN

(Rattus
norvegicus) 		PF00576
(Transthyretin) 		4 LYS A  15
ALA A 108
SER A 117
THR A 119
 None
 0.86A 4i89B-1gkeA:
21.0		 4i89B-1gkeA:
82.50
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.
1jfd INORGANIC
PYROPHOSPHATASE

(Escherichia
coli) 		PF00719
(Pyrophosphatase) 		4 LYS A 173
ALA A 172
SER A  63
THR A  61
 None
 1.39A 4i89B-1jfdA:
0.0		 4i89B-1jfdA:
20.43
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 LYS B 157
ALA B  11
SER B 200
THR B   7
 None
 1.43A 4i89B-1qs0B:
0.0		 4i89B-1qs0B:
15.68
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.
1xso COPPER,ZINC
SUPEROXIDE DISMUTASE

(Xenopus laevis) 		PF00080
(Sod_Cu) 		4 LYS A 120
ALA A 138
SER A 132
THR A 135
 None
 1.39A 4i89B-1xsoA:
0.5		 4i89B-1xsoA:
20.13
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.
1yio RESPONSE REGULATORY
PROTEIN

(Pseudomonas
fluorescens) 		PF00072
(Response_reg)
PF00196
(GerE) 		4 LYS A  96
ALA A  97
SER A  74
THR A  71
 None
 1.47A 4i89B-1yioA:
undetectable		 4i89B-1yioA:
19.72
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.
2b4m GLYCINE
BETAINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		4 LYS A 240
ALA A 214
SER A 217
THR A 211
 None
 1.25A 4i89B-2b4mA:
0.0		 4i89B-2b4mA:
19.78
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.
2bod ENDOGLUCANASE E-2

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		4 LYS X 202
ALA X 201
SER X 160
THR X 186
 None
 1.33A 4i89B-2bodX:
0.0		 4i89B-2bodX:
17.82
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.
2pvz PRPF METHYLACONITATE
ISOMERASE

(Shewanella
oneidensis) 		PF04303
(PrpF) 		4 LYS A  59
ALA A  67
SER A  69
THR A  71
 CA  A1002 (-3.3A)
None
CA  A1003 (-3.3A)
None
 1.17A 4i89B-2pvzA:
0.0		 4i89B-2pvzA:
15.87
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 LYS A 838
ALA A 836
SER A 850
THR A 835
 None
 1.45A 4i89B-2wyhA:
0.0		 4i89B-2wyhA:
8.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fc8 TRANSTHYRETIN

(Homo sapiens) 		PF00576
(Transthyretin) 		4 LYS A  15
ALA A 108
SER A 117
THR A 119
 IFA  A3000 (-3.0A)
IFA  A3000 (-3.1A)
IFA  A3000 (-3.9A)
IFA  A3000 ( 4.9A)
 0.13A 4i89B-3fc8A:
22.9		 4i89B-3fc8A:
99.19
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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		4 LYS C  65
ALA C  64
SER C  58
THR C  60
 None
 1.34A 4i89B-3gi8C:
undetectable		 4i89B-3gi8C:
18.36
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LYS A   1
ALA A   3
SER A 124
THR A  59
 None
 1.23A 4i89B-3jv7A:
undetectable		 4i89B-3jv7A:
18.53
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT C

(Thermus
thermophilus) 		PF01425
(Amidase)
PF02686
(Glu-tRNAGln) 		4 LYS G  17
ALA G  16
SER E 304
THR E 346
 None
 1.48A 4i89B-3kfuG:
undetectable		 4i89B-3kfuG:
21.09
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.
3n29 CARBOXYNORSPERMIDINE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF00278
(Orn_DAP_Arg_deC) 		4 LYS A  68
ALA A  67
SER A  62
THR A  80
 None
 1.47A 4i89B-3n29A:
undetectable		 4i89B-3n29A:
17.89
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.
3opn PUTATIVE HEMOLYSIN

(Lactococcus
lactis) 		PF01728
(FtsJ) 		4 LYS A  95
ALA A  93
SER A  65
THR A  67
 None
None
None
SO4  A   1 (-4.2A)
 1.44A 4i89B-3opnA:
undetectable		 4i89B-3opnA:
22.47
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.
3ru8 EPITOPE SCAFFOLD
2BODX43

(Human
immunodeficiency
virus;
Thermobifida
fusca;
synthetic
construct) 		PF01341
(Glyco_hydro_6) 		4 LYS X 190
ALA X 189
SER X 148
THR X 174
 None
 1.25A 4i89B-3ru8X:
undetectable		 4i89B-3ru8X:
19.31
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.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		4 LYS A 294
ALA A 295
SER A 285
THR A 307
 None
 1.47A 4i89B-3txaA:
undetectable		 4i89B-3txaA:
10.68
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.
3v6a APOPTOSIS INHIBITOR
5

(Homo sapiens) 		PF05918
(API5) 		4 LYS A 411
ALA A 414
SER A 341
THR A 418
 None
 1.16A 4i89B-3v6aA:
undetectable		 4i89B-3v6aA:
14.86
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.
3zuc CELLULOSOMAL
SCAFFOLDIN

(Acetivibrio
cellulolyticus) 		PF00942
(CBM_3) 		4 LYS A  42
ALA A  90
SER A  92
THR A  70
 1PE  A1157 (-2.7A)
None
None
None
 1.31A 4i89B-3zucA:
undetectable		 4i89B-3zucA:
25.00
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.
4fye SIDF, INHIBITOR OF
GROWTH FAMILY,
MEMBER 3

(Legionella
pneumophila) 		no annotation 4 LYS A 740
ALA A 739
SER A 714
THR A 711
 None
 1.46A 4i89B-4fyeA:
undetectable		 4i89B-4fyeA:
9.46
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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		4 LYS A  14
ALA A  12
SER A  35
THR A  11
 None
 1.38A 4i89B-4htlA:
undetectable		 4i89B-4htlA:
18.88
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.
4i5n SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT BETA -
CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG CHIMERIC
CONSTRUCT

(Homo sapiens) 		PF13499
(EF-hand_7) 		4 LYS B 170
ALA B 171
SER B 146
THR B 151
 None
 1.38A 4i89B-4i5nB:
undetectable		 4i89B-4i5nB:
17.28
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.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		4 LYS A  92
ALA A  93
SER A  46
THR A  44
 None
 1.43A 4i89B-4m5pA:
undetectable		 4i89B-4m5pA:
16.58
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.
4uhm OMEGA AMINO
ACID-PYRUVATE
AMINOTRANSFERASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		4 LYS A 429
ALA A 428
SER A  56
THR A 425
 None
 1.29A 4i89B-4uhmA:
undetectable		 4i89B-4uhmA:
13.38
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.
4uom FAB FRAGMENT LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LYS L  52
ALA L  65
SER L  21
THR L  75
 None
 1.38A 4i89B-4uomL:
undetectable		 4i89B-4uomL:
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.
4wbh PROTEIN NOTUM
HOMOLOG

(Homo sapiens) 		PF03283
(PAE) 		4 LYS A 199
ALA A 201
SER A 193
THR A 100
 None
 1.47A 4i89B-4wbhA:
undetectable		 4i89B-4wbhA:
12.98
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.
4ymk ACYL-COA DESATURASE
1

(Mus musculus) 		PF00487
(FA_desaturase) 		4 LYS A 192
ALA A 164
SER A 160
THR A 162
 None
 1.38A 4i89B-4ymkA:
undetectable		 4i89B-4ymkA:
16.27
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.
4z9e DNA/RNA-BINDING
PROTEIN ALBA

(Thermoplasma
volcanium) 		PF01918
(Alba) 		4 LYS A  35
ALA A  36
SER A  42
THR A  40
 None
 1.31A 4i89B-4z9eA:
undetectable		 4i89B-4z9eA:
21.37
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.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes) 		PF01547
(SBP_bac_1) 		4 LYS A 330
ALA A 329
SER A 323
THR A 342
 None
 1.28A 4i89B-5f7vA:
undetectable		 4i89B-5f7vA:
16.03
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.
5ggk PROTEIN
O-LINKED-MANNOSE
BETA-1,2-N-ACETYLGLU
COSAMINYLTRANSFERASE
1

(Homo sapiens) 		PF15711
(ILEI) 		4 LYS A 224
ALA A 211
SER A 106
THR A 176
 None
 1.49A 4i89B-5ggkA:
undetectable		 4i89B-5ggkA:
25.43
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.
5thk PUTATIVE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 LYS A  78
ALA A  75
SER A 123
THR A  72
 None
 1.48A 4i89B-5thkA:
undetectable		 4i89B-5thkA:
20.90
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.
5w42 -

(-) 		no annotation 4 LYS H  23
ALA H  24
SER H  30
THR H  28
 None
 1.38A 4i89B-5w42H:
undetectable		 4i89B-5w42H:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 LYS C 681
ALA C 677
SER C 671
THR C 673
 None
 1.25A 4i89B-5y3rC:
undetectable		 4i89B-5y3rC:
2.76
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.
6fht BACTERIOPHYTOCHROME,
ADENYLATE CYCLASE

(Deinococcus
radiodurans;
Synechocystis
sp. PCC 6803) 		no annotation 4 LYS A  -1
ALA A 182
SER A 206
THR A 183
 None
 1.08A 4i89B-6fhtA:
undetectable		 4i89B-6fhtA:
23.21