SIMILAR PATTERNS OF AMINO ACIDS FOR 5FXF_B_BEZB601_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.
1cbf COBALT-PRECORRIN-4
TRANSMETHYLASE

(Bacillus
megaterium) 		PF00590
(TP_methylase) 		5 ASP A  54
VAL A  71
TYR A  52
GLN A  59
ILE A  62
 None
 1.37A 5fxfB-1cbfA:
0.0		 5fxfB-1cbfA:
20.34
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.
1ibg IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TYR H  90
ASP H  85
VAL H 111
GLN H  83
LEU H  63
 None
 1.18A 5fxfB-1ibgH:
undetectable		 5fxfB-1ibgH:
16.60
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 TYR A 175
GLN A 130
ILE A 173
VAL A  74
LEU A 132
 None
 1.14A 5fxfB-1ofeA:
3.7		 5fxfB-1ofeA:
16.78
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.
1vpv UPF0230 PROTEIN
TM1468

(Thermotoga
maritima) 		PF02645
(DegV) 		5 VAL A   3
ILE A 142
VAL A 145
LEU A 149
ARG A 133
 None
 1.05A 5fxfB-1vpvA:
0.8		 5fxfB-1vpvA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		6 TYR A 108
ASP A 170
VAL A 185
TYR A 187
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
FAD  A1561 ( 3.6A)
EUG  A1562 ( 4.1A)
FAD  A1561 (-4.7A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.56A 5fxfB-1w1kA:
52.9		 5fxfB-1w1kA:
46.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wve 4-CRESOL
DEHYDROGENASE
[HYDROXYLATING]
FLAVOPROTEIN SUBUNIT

(Pseudomonas
putida) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		7 TYR A  95
VAL A 170
TYR A 172
ILE A 429
VAL A 438
TYR A 473
ARG A 474
 ACY  A1701 (-4.6A)
FAD  A 599 (-4.1A)
FAD  A 599 (-4.3A)
None
ACY  A1701 (-4.6A)
ACY  A1701 (-4.8A)
FAD  A 599 ( 3.1A)
 0.43A 5fxfB-1wveA:
53.2		 5fxfB-1wveA:
40.45
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ASP A1209
GLN A1271
ILE A1274
VAL A1270
ARG A1258
 None
 1.24A 5fxfB-2pffA:
0.5		 5fxfB-2pffA:
13.29
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 VAL A 201
TYR A 228
ILE A 138
VAL A 123
LEU A  97
 None
 1.23A 5fxfB-2quaA:
0.0		 5fxfB-2quaA:
23.27
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.
3bc8 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Mus musculus) 		PF05889
(SepSecS) 		5 ASP A 385
VAL A 388
GLN A 465
ILE A 380
VAL A 461
 None
 1.40A 5fxfB-3bc8A:
0.5		 5fxfB-3bc8A:
21.31
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.
3cfz UPF0100 PROTEIN
MJ1186

(Methanocaldococcus
jannaschii) 		PF13531
(SBP_bac_11) 		5 TYR A 181
GLN A 165
ILE A 202
VAL A 204
LEU A 208
 None
 1.14A 5fxfB-3cfzA:
1.5		 5fxfB-3cfzA:
19.62
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.
3cfz UPF0100 PROTEIN
MJ1186

(Methanocaldococcus
jannaschii) 		PF13531
(SBP_bac_11) 		5 VAL A 193
TYR A 181
GLN A 165
ILE A 202
LEU A 208
 None
 1.18A 5fxfB-3cfzA:
1.5		 5fxfB-3cfzA:
19.62
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.
3ezs AMINOTRANSFERASE
ASPB

(Helicobacter
pylori) 		PF00155
(Aminotran_1_2) 		5 VAL A  93
ILE A 225
LEU A  84
TYR A 252
ARG A 256
 None
 1.34A 5fxfB-3ezsA:
0.0		 5fxfB-3ezsA:
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.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		5 ASP A  94
TYR A  89
ILE A  26
VAL A  73
LEU A  99
 None
 1.43A 5fxfB-3huuA:
undetectable		 5fxfB-3huuA:
19.89
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.
3i70 AGRIN

(Gallus gallus) 		PF03146
(NtA) 		5 TYR A  44
VAL A  88
ILE A  65
VAL A  63
LEU A  57
 None
 1.24A 5fxfB-3i70A:
undetectable		 5fxfB-3i70A:
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42
PRE-MRNA-SPLICING
FACTOR CWF19

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
no annotation 		5 ASP A1450
ILE c 607
VAL A 863
LEU A 864
TYR A 894
 None
 1.34A 5fxfB-3jb9A:
undetectable		 5fxfB-3jb9A:
12.47
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.
4fl4 GLYCOSIDE HYDROLASE
FAMILY 9
CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION

(Ruminiclostridium
thermocellum;
Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1)
PF00963
(Cohesin) 		5 VAL A  82
ILE A  80
VAL C  84
TYR C  77
ARG C  80
 None
 1.46A 5fxfB-4fl4A:
undetectable		 5fxfB-4fl4A:
8.91
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.
4g10 GLUTATHIONE
S-TRANSFERASE
HOMOLOG

(Sphingomonas
paucimobilis) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		5 TYR A  82
VAL A  62
LEU A  25
TYR A  77
ARG A  81
 None
 1.10A 5fxfB-4g10A:
undetectable		 5fxfB-4g10A:
19.55
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.
4mx8 PERIPLASMIC BINDING
PROTEIN

(Xylanimonas
cellulosilytica) 		PF01497
(Peripla_BP_2) 		5 TYR A 135
ASP A  56
TYR A  76
ILE A 302
LEU A 163
 None
 1.17A 5fxfB-4mx8A:
undetectable		 5fxfB-4mx8A:
21.22
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.
4q98 MAJOR FIMBRIAL
SUBUNIT PROTEIN

(Porphyromonas
gingivalis) 		PF06321
(P_gingi_FimA)
PF15495
(Fimbrillin_C) 		5 VAL A 100
TYR A 105
ILE A 133
VAL A 173
LEU A 219
 None
 1.33A 5fxfB-4q98A:
undetectable		 5fxfB-4q98A:
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		5 TYR A  82
VAL A 288
ILE A 250
VAL A 183
LEU A 310
 None
 1.37A 5fxfB-4v2iA:
undetectable		 5fxfB-4v2iA:
21.05
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.
5byu THIOESTERASE

(Legionella
pneumophila) 		PF13279
(4HBT_2) 		5 VAL A  26
GLN A  97
ILE A  69
VAL A  75
TYR A  34
 None
 1.12A 5fxfB-5byuA:
undetectable		 5fxfB-5byuA:
14.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fxe EUGENOL OXIDASE

(Rhodococcus
jostii) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		10 TYR A  91
ASP A 151
VAL A 166
TYR A 168
GLN A 425
ILE A 427
VAL A 436
LEU A 438
TYR A 471
ARG A 472
 CIY  A 602 (-3.9A)
FAD  A 600 ( 3.5A)
FAD  A 600 (-4.0A)
FAD  A 600 ( 4.5A)
CIY  A 602 (-3.5A)
None
CIY  A 602 (-4.8A)
CIY  A 602 (-4.8A)
CIY  A 602 (-4.5A)
FAD  A 600 ( 3.0A)
 0.27A 5fxfB-5fxeA:
64.7		 5fxfB-5fxeA:
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.
5g2c CHLORIDE PUMPING
RHODOPSIN

(Nonlabens
marinus) 		PF01036
(Bac_rhodopsin) 		5 VAL A 193
TYR A 238
GLN A 109
ILE A 242
VAL A 113
 None
 1.44A 5fxfB-5g2cA:
0.3		 5fxfB-5g2cA:
20.69
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.
5hs0 ANKYRIN DOMAIN
PROTEIN ANK1C4_7

(synthetic
construct) 		PF12796
(Ank_2) 		5 VAL A 119
GLN A 158
ILE A 123
VAL A 129
LEU A 159
 None
 1.40A 5fxfB-5hs0A:
undetectable		 5fxfB-5hs0A:
14.45
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 283
GLN A 289
ILE A 285
LEU A 486
ARG A 257
 None
 1.44A 5fxfB-5lm8A:
undetectable		 5fxfB-5lm8A:
23.29
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.
5o5j 30S RIBOSOMAL
PROTEIN S4

(Mycolicibacterium
smegmatis) 		PF00163
(Ribosomal_S4)
PF01479
(S4) 		5 VAL D 188
ILE D 186
LEU D 166
TYR D  60
ARG D 106
 None
 1.49A 5fxfB-5o5jD:
undetectable		 5fxfB-5o5jD:
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.
6b0e 1260 ANTIBODY, HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 TYR B  90
ASP B  85
VAL B 111
GLN B  83
LEU B  63
 None
 1.11A 5fxfB-6b0eB:
undetectable		 5fxfB-6b0eB:
18.11