SIMILAR PATTERNS OF AMINO ACIDS FOR 4G5J_A_0WMA1103

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.
1bdg HEXOKINASE

(Schistosoma
mansoni) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 ASN A 352
ARG A 372
HIS A 354
LEU A 357
 None
 1.22A 4g5jA-1bdgA:
0.0		 4g5jA-1bdgA:
21.79
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.
1ecx AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00266
(Aminotran_5) 		4 ASN A  43
ARG A  50
MET A  46
HIS A  45
 None
 0.86A 4g5jA-1ecxA:
0.0		 4g5jA-1ecxA:
22.89
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.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		4 ARG A 313
MET A 312
HIS A 315
LEU A 326
 None
 1.49A 4g5jA-1uz4A:
0.0		 4g5jA-1uz4A:
21.30
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.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 ASN A 539
ARG A 616
MET A 614
LEU A 545
 None
 1.45A 4g5jA-1xdpA:
0.0		 4g5jA-1xdpA:
19.88
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.
2ct0 NON-SMC ELEMENT 1
HOMOLOG

(Homo sapiens) 		PF08746
(zf-RING-like) 		4 ASN A  19
MET A  38
HIS A  39
LEU A  40
 None
None
ZN  A 201 (-3.4A)
None
 1.37A 4g5jA-2ct0A:
undetectable		 4g5jA-2ct0A:
12.42
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.
2fom POLYPROTEIN

(Dengue virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 ARG B  64
MET B  59
HIS B  60
LEU A  53
 None
 1.30A 4g5jA-2fomB:
0.0		 4g5jA-2fomB:
18.79
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.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 ASN A 579
ARG A 304
MET A 484
LEU A 474
 None
 1.22A 4g5jA-2obeA:
undetectable		 4g5jA-2obeA:
16.93
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.
2y6v PEROXISOMAL MEMBRANE
PROTEIN LPX1

(Saccharomyces
cerevisiae) 		PF12697
(Abhydrolase_6) 		4 ASN A 296
ARG A 294
HIS A 323
LEU A 324
 None
None
CSO  A 298 (-4.7A)
None
 1.14A 4g5jA-2y6vA:
0.0		 4g5jA-2y6vA:
22.60
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.
3a9x SELENOCYSTEINE LYASE

(Rattus
norvegicus) 		PF00266
(Aminotran_5) 		4 ASN A 399
ARG A 329
HIS A 331
LEU A 332
 None
 1.00A 4g5jA-3a9xA:
0.0		 4g5jA-3a9xA:
23.57
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.
3b5n PROTEIN TRANSPORT
PROTEIN SEC9

(Saccharomyces
cerevisiae) 		no annotation 4 ASN D 639
ARG D 646
MET D 642
HIS D 641
 None
 1.36A 4g5jA-3b5nD:
undetectable		 4g5jA-3b5nD:
11.35
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.
3cjn TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY

(Ruegeria
pomeroyi) 		PF01047
(MarR) 		4 ASN A  37
ARG A  39
HIS A 123
LEU A 120
 None
 1.00A 4g5jA-3cjnA:
0.0		 4g5jA-3cjnA:
18.60
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.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		4 ASN A 316
ARG A 315
HIS A 319
LEU A 322
 None
 1.12A 4g5jA-3clwA:
undetectable		 4g5jA-3clwA:
19.92
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.
3k29 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chlamydia
trachomatis) 		PF16789
(YscO-like) 		4 ASN A  50
ARG A  57
MET A  53
HIS A  51
 None
 1.24A 4g5jA-3k29A:
undetectable		 4g5jA-3k29A:
21.30
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.
3nxs LAO/AO TRANSPORT
SYSTEM ATPASE

(Mycolicibacterium
smegmatis) 		PF03308
(ArgK) 		4 ASN A 292
ARG A 300
MET A 291
HIS A 293
 None
 1.42A 4g5jA-3nxsA:
undetectable		 4g5jA-3nxsA:
22.77
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.
3o21 GLUTAMATE RECEPTOR 3

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 ASN A   4
ARG A 297
HIS A  42
LEU A  43
 None
 1.25A 4g5jA-3o21A:
undetectable		 4g5jA-3o21A:
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.
3ot5 UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Listeria
monocytogenes) 		PF02350
(Epimerase_2) 		4 ASN A 337
ARG A 231
HIS A 341
LEU A 280
 None
 0.98A 4g5jA-3ot5A:
undetectable		 4g5jA-3ot5A:
22.90
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.
4fzy EXODEOXYRIBONUCLEASE
10

(Escherichia
coli) 		PF00929
(RNase_T) 		4 ASN A  81
ARG A 104
MET A 100
LEU A 146
 None
 1.20A 4g5jA-4fzyA:
undetectable		 4g5jA-4fzyA:
19.47
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.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		4 ASN A 101
MET A 141
HIS A 185
LEU A 137
 None
 1.40A 4g5jA-4im4A:
undetectable		 4g5jA-4im4A:
20.70
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.
4l01 TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ASN A 789
MET A 679
HIS A 680
LEU A 677
 None
 1.21A 4g5jA-4l01A:
26.7		 4g5jA-4l01A:
26.76
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.
4m1e PURINE NUCLEOSIDE
PHOSPHORYLASE

(Planctopirus
limnophila) 		PF01048
(PNP_UDP_1) 		4 ARG A 170
MET A 166
HIS A 165
LEU A 229
 6PC  A 402 (-2.8A)
None
None
None
 1.44A 4g5jA-4m1eA:
undetectable		 4g5jA-4m1eA:
21.49
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		4 ASN A 244
MET A 241
HIS A 242
LEU A 238
 EDO  A 403 ( 3.6A)
EDO  A 403 (-4.7A)
None
None
 1.29A 4g5jA-4ng3A:
undetectable		 4g5jA-4ng3A:
21.86
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.
4trk C. ELEGANS HIM-3

(Caenorhabditis
elegans) 		PF02301
(HORMA) 		4 ASN A  34
ARG A  41
MET A  37
HIS A 233
 None
 1.32A 4g5jA-4trkA:
0.0		 4g5jA-4trkA:
21.49
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.
4trr PUTATIVE
D-BETA-HYDROXYBUTYRA
TE DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		4 ASN A 178
ARG A 134
HIS A 177
LEU A 126
 None
 1.29A 4g5jA-4trrA:
undetectable		 4g5jA-4trrA:
20.87
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.
4zcf RESTRICTION
ENDONUCLEASE
ECOP15I,
MODIFICATION SUBUNIT

(Escherichia
coli) 		PF01555
(N6_N4_Mtase) 		4 ASN A 111
ARG A 643
HIS A 108
LEU A  78
 None
 1.46A 4g5jA-4zcfA:
undetectable		 4g5jA-4zcfA:
19.97
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.
5in8 ARISTOLOCHENE
SYNTHASE

(Aspergillus
terreus) 		no annotation 4 ARG A 149
MET A 148
HIS A 151
LEU A  87
 GOL  A 401 (-3.1A)
None
None
None
 1.42A 4g5jA-5in8A:
undetectable		 4g5jA-5in8A:
24.79
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.
5lk4 MSCARLET

(Discosoma sp.) 		PF01353
(GFP) 		4 ASN A  24
MET A  23
HIS A  26
LEU A  55
 None
None
None
PGE  A 304 ( 4.4A)
 1.49A 4g5jA-5lk4A:
undetectable		 4g5jA-5lk4A:
20.80
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.
5nhk FERRIC UPTAKE
REGULATION PROTEIN

(Francisella
tularensis) 		no annotation 4 ASN A  69
ARG A  70
HIS A  33
LEU A  34
 None
None
FE  A 201 (-3.4A)
None
 1.47A 4g5jA-5nhkA:
undetectable		 4g5jA-5nhkA:
13.31
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.
5y92 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR2

(Arabidopsis
thaliana) 		no annotation 4 ARG A 103
MET A 101
HIS A 100
LEU A 154
 None
 1.18A 4g5jA-5y92A:
0.0		 4g5jA-5y92A:
12.58