SIMILAR PATTERNS OF AMINO ACIDS FOR 1SQ5_A_PAUA6001_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.
1dzt DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Salmonella
enterica) 		PF00908
(dTDP_sugar_isom) 		5 ASP A 170
LEU A 166
HIS A  63
LEU A 148
ILE A 156
 None
None
SO4  A 301 (-4.1A)
None
None
 1.49A 1sq5A-1dztA:
0.0		 1sq5A-1dztA:
21.43
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.
1inl SPERMIDINE SYNTHASE

(Thermotoga
maritima) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ASP A 101
GLY A  98
HIS A  77
LEU A 119
ILE A 169
 None
 1.29A 1sq5A-1inlA:
0.0		 1sq5A-1inlA:
20.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli) 		PF00485
(PRK) 		9 ASP A1127
LEU A1130
LYS A1145
GLY A1146
HIS A1177
LEU A1201
TYR A1240
ILE A1281
ASN A1282
 PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
PAU  A6001 (-4.2A)
None
PAU  A6001 (-4.3A)
PAU  A6001 (-3.7A)
PAU  A6001 (-3.0A)
 0.00A 1sq5A-1sq5A:
50.7		 1sq5A-1sq5A:
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 LEU A 317
GLY A 342
LEU A 354
TYR A 361
ILE A 339
 None
 1.20A 1sq5A-1u2xA:
0.1		 1sq5A-1u2xA:
23.96
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.
2otp LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY A
MEMBER 2

(Homo sapiens) 		PF13895
(Ig_2) 		5 LYS A  55
GLY A  54
LEU A  30
TYR A  35
ILE A  50
 None
 1.37A 1sq5A-2otpA:
undetectable		 1sq5A-2otpA:
23.46
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.
3kyl TELOMERASE REVERSE
TRANSCRIPTASE

(Tribolium
castaneum) 		PF00078
(RVT_1)
PF12009
(Telomerase_RBD) 		5 ASP A 310
LEU A 306
GLY A 314
HIS A 287
ILE A 216
 None
None
G  E   3 ( 4.6A)
None
None
 1.29A 1sq5A-3kylA:
0.0		 1sq5A-3kylA:
21.00
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.
3lwu SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Shewanella
frigidimarina) 		PF04952
(AstE_AspA) 		5 ASP A 171
HIS A 173
LEU A 159
ILE A  81
ASN A  77
 None
ZN  A 374 (-3.1A)
None
None
None
 1.23A 1sq5A-3lwuA:
0.0		 1sq5A-3lwuA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tqc PANTOTHENATE KINASE

(Coxiella
burnetii) 		PF00485
(PRK) 		9 ASP A 128
LEU A 131
LYS A 146
GLY A 147
HIS A 178
LEU A 202
TYR A 241
ILE A 282
ASN A 283
 None
 0.72A 1sq5A-3tqcA:
41.1		 1sq5A-3tqcA:
52.68
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.
4q7q LIPOLYTIC PROTEIN
G-D-S-L FAMILY

(Chitinophaga
pinensis) 		PF13472
(Lipase_GDSL_2) 		5 ASP A 251
LEU A 253
LEU A  34
ILE A 263
ASN A 260
 None
 1.48A 1sq5A-4q7qA:
0.9		 1sq5A-4q7qA:
22.80
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.
5c92 KELCH
DOMAIN-CONTAINING
PROTEIN

(Colletotrichum
graminicola) 		PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 ASP A  81
GLY A 129
LEU A 482
TYR A 461
ILE A 457
 None
 1.42A 1sq5A-5c92A:
undetectable		 1sq5A-5c92A:
19.07
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.
5es6 LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00551
(Formyl_trans_N) 		5 ASP A 265
LEU A 260
HIS A 324
LEU A 241
ILE A 320
 None
 1.36A 1sq5A-5es6A:
undetectable		 1sq5A-5es6A:
18.50
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.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ASP A 532
LEU A 528
LEU A 502
TYR A 491
ILE A 473
 None
 1.33A 1sq5A-5hm5A:
undetectable		 1sq5A-5hm5A:
16.14
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.
5jnf LINEAR GRAMICIDIN
SYNTHASE SUBUNIT A

(Brevibacillus
parabrevis) 		no annotation 5 ASP C 265
LEU C 260
HIS C 324
LEU C 241
ILE C 320
 None
 1.37A 1sq5A-5jnfC:
undetectable		 1sq5A-5jnfC:
20.98
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.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		5 LEU A  99
GLY A 125
LEU A 148
ILE A   4
ASN A   2
 None
 1.34A 1sq5A-5k9xA:
undetectable		 1sq5A-5k9xA:
24.02
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.
5ns8 -

(-) 		no annotation 5 ASP A 275
GLY A 200
HIS A 193
LEU A 201
ILE A 162
 None
 1.29A 1sq5A-5ns8A:
undetectable		 1sq5A-5ns8A:
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.
5oj3 -

(-) 		no annotation 5 ASP A 278
LYS A 326
GLY A 327
HIS A 280
ASN A 343
 None
 1.42A 1sq5A-5oj3A:
undetectable		 1sq5A-5oj3A:
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.
5xmb PANTOTHENATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 7 ASP A 129
LEU A 132
GLY A 148
LEU A 203
TYR A 235
ILE A 276
ASN A 277
 None
 0.84A 1sq5A-5xmbA:
36.0		 1sq5A-5xmbA:
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.
5xmb PANTOTHENATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 5 ASP A 129
LYS A 147
TYR A 235
ILE A 276
ASN A 277
 None
 0.85A 1sq5A-5xmbA:
36.0		 1sq5A-5xmbA:
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.
5zvt CORE PROTEIN VP6

(Aquareovirus C) 		no annotation 5 LEU U  51
GLY U  49
HIS U 276
TYR U 362
ASN U 242
 None
 1.34A 1sq5A-5zvtU:
undetectable		 1sq5A-5zvtU:
undetectable