SIMILAR PATTERNS OF AMINO ACIDS FOR 5TIX_A_OQRA302_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.
1nst HEPARAN SULFATE
N-DEACETYLASE/N-SULF
OTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 PRO A 871
VAL A 775
LEU A 776
ILE A 773
PHE A 681
 None
 1.35A 5tixA-1nstA:
8.7		 5tixA-1nstA:
21.39
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 LEU A   6
VAL A  33
LEU A  30
ASP A  36
PHE A  40
 None
 1.50A 5tixA-2cfmA:
0.0		 5tixA-2cfmA:
20.50
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.
2gb4 THIOPURINE
S-METHYLTRANSFERASE

(Mus musculus) 		PF05724
(TPMT) 		5 PRO A 191
LEU A 180
LEU A 227
ASP A  10
SER A 181
 None
 1.45A 5tixA-2gb4A:
0.1		 5tixA-2gb4A:
19.85
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.
2ln7 LPXTG-SITE
TRANSPEPTIDASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF04203
(Sortase) 		5 LEU A 141
VAL A  83
LEU A  84
ILE A  21
ASP A  80
 None
 1.48A 5tixA-2ln7A:
undetectable		 5tixA-2ln7A:
22.45
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		5 MET A 230
VAL A 154
LEU A 158
ILE A 152
ASP A 151
 None
None
ANP  A1531 (-4.8A)
None
None
 1.46A 5tixA-2vwbA:
0.9		 5tixA-2vwbA:
18.30
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 PRO A 496
LEU A 522
LEU A 605
ASP A 600
SER A 523
 None
 1.39A 5tixA-3hmjA:
0.2		 5tixA-3hmjA:
9.07
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.
3kk7 PUTATIVE CELL
INVASION PROTEIN
WITH MAC/PERFORIN
DOMAIN

(Bacteroides
thetaiotaomicron) 		PF01823
(MACPF) 		5 LEU A 221
VAL A 210
LEU A 205
ILE A 506
PHE A 372
 None
 1.49A 5tixA-3kk7A:
undetectable		 5tixA-3kk7A:
20.93
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.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 PRO A  84
LEU A 151
VAL A 113
LEU A  86
ASP A 277
 None
 1.29A 5tixA-3n05A:
1.8		 5tixA-3n05A:
15.88
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.
3tev GLYCOSYL HYROLASE,
FAMILY 3

(Deinococcus
radiodurans) 		PF00933
(Glyco_hydro_3) 		5 MET A  20
LEU A  73
VAL A 255
ILE A 219
PHE A 127
 None
 1.16A 5tixA-3tevA:
0.0		 5tixA-3tevA:
19.94
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.
4h3z TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Paraburkholderia
phymatum) 		PF01746
(tRNA_m1G_MT) 		5 PRO A  38
LEU A   8
VAL A   6
LEU A 115
PHE A  13
 None
 1.47A 5tixA-4h3zA:
undetectable		 5tixA-4h3zA:
20.89
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.
4r86 RND FAMILY
AMINOGLYCOSIDE/MULTI
DRUG EFFLUX PUMP

(Salmonella
enterica) 		PF00873
(ACR_tran) 		5 PRO A  85
MET A  81
VAL A  27
LEU A  23
ILE A  56
 None
 1.48A 5tixA-4r86A:
undetectable		 5tixA-4r86A:
21.99
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.
4xat NOELIN

(Homo sapiens) 		PF02191
(OLF) 		5 PRO A 253
MET A 250
VAL A 359
LEU A 364
ASP A 356
 None
None
None
None
CA  A 501 ( 2.7A)
 1.27A 5tixA-4xatA:
undetectable		 5tixA-4xatA:
20.54
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.
4xul MG662

(Megavirus
chiliensis) 		no annotation 5 VAL A 342
LEU A 339
ILE A 278
PHE A 312
SER A 314
 None
 1.18A 5tixA-4xulA:
undetectable		 5tixA-4xulA:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 8 PRO A  16
MET A  38
LEU A  92
VAL A 128
LEU A 129
ILE A 140
ASP A 144
PHE A 153
 OAQ  A 302 (-4.4A)
OAQ  A 302 (-4.3A)
OAQ  A 302 (-4.0A)
OAQ  A 302 (-4.0A)
None
None
OAQ  A 302 (-3.3A)
OAQ  A 302 ( 4.8A)
 0.39A 5tixA-5bykA:
39.8		 5tixA-5bykA:
75.29
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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 PRO B 678
MET B 675
VAL B 637
ILE B 640
PHE B 712
 None
 1.42A 5tixA-5hb4B:
undetectable		 5tixA-5hb4B:
9.92
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 PRO A 236
VAL A 169
ILE A 135
ASP A 132
PHE A 127
 None
 1.41A 5tixA-5jd4A:
undetectable		 5tixA-5jd4A:
19.58
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.
5jmv PROBABLE
BIFUNCTIONAL TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22) 		5 MET A 230
VAL A 154
LEU A 158
ILE A 152
ASP A 151
 None
None
AMP  A 401 (-4.7A)
None
None
 1.35A 5tixA-5jmvA:
undetectable		 5tixA-5jmvA:
24.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 9 PRO A  31
MET A  53
LEU A 101
VAL A 137
LEU A 138
ILE A 149
ASP A 153
PHE A 162
SER A 166
 OAQ  A 302 (-4.7A)
OAQ  A 302 (-4.5A)
OAQ  A 302 ( 4.1A)
OAQ  A 302 (-4.0A)
None
OAQ  A 302 ( 4.4A)
OAQ  A 302 (-3.1A)
OAQ  A 302 (-4.6A)
OAQ  A 302 (-3.5A)
 0.31A 5tixA-5tiwA:
42.9		 5tixA-5tiwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 6 PRO A  16
MET A  38
LEU A  88
VAL A 124
LEU A 125
PHE A 149
 None
 0.66A 5tixA-5tizA:
36.1		 5tixA-5tizA:
61.28
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.
5uqr 2-METHYLCITRATE
SYNTHASE,
MITOCHONDRIAL

(Aspergillus
fumigatus) 		no annotation 5 LEU A 207
VAL A 440
LEU A 125
ASP A 445
SER A 203
 None
 1.50A 5tixA-5uqrA:
undetectable		 5tixA-5uqrA:
undetectable