SIMILAR PATTERNS OF AMINO ACIDS FOR 1SQ5_B_PAUB6003_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.
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
 1.26A 1sq5B-1inlA:
0.0		 1sq5B-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) 		10 ASP A1127
LEU A1130
LYS A1145
GLY A1146
HIS A1177
TYR A1180
LEU A1201
TYR A1240
ILE A1281
ASN A1282
 PAU  A6001 (-2.9A)
None
None
PAU  A6001 (-3.3A)
PAU  A6001 (-4.2A)
None
None
PAU  A6001 (-4.3A)
PAU  A6001 (-3.7A)
PAU  A6001 (-3.0A)
 0.11A 1sq5B-1sq5A:
49.0		 1sq5B-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
 1.21A 1sq5B-1u2xA:
0.1		 1sq5B-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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 LEU A 283
GLY A 263
TYR A 244
LEU A  33
ILE A  67
 FMT  A1212 ( 4.5A)
None
None
None
None
 1.35A 1sq5B-1u60A:
undetectable		 1sq5B-1u60A:
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.
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 1sq5B-2otpA:
undetectable		 1sq5B-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.
3fmc PUTATIVE
SUCCINYLGLUTAMATE
DESUCCINYLASE /
ASPARTOACYLASE

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		5 ASP A 169
HIS A 171
LEU A 157
ILE A  79
ASN A  75
 None
 1.24A 1sq5B-3fmcA:
0.6		 1sq5B-3fmcA:
24.08
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
 1.32A 1sq5B-3kylA:
undetectable		 1sq5B-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.
3r38 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Listeria
monocytogenes) 		PF00275
(EPSP_synthase) 		5 ASP A  50
LEU A  48
GLY A 398
TYR A  -5
LEU A 370
 None
None
None
None
CL  A 431 (-4.5A)
 1.40A 1sq5B-3r38A:
0.0		 1sq5B-3r38A:
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.
3s9j MEMBER OF DUF4221
FAMILY

(Bacteroides
vulgatus) 		PF13970
(DUF4221) 		5 LEU A 273
GLY A 222
TYR A 209
LEU A 286
TYR A 159
 None
GOL  A 416 ( 3.3A)
None
FMT  A 404 ( 4.9A)
FMT  A 411 (-3.9A)
 1.16A 1sq5B-3s9jA:
undetectable		 1sq5B-3s9jA:
19.74
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) 		10 ASP A 128
LEU A 131
LYS A 146
GLY A 147
HIS A 178
TYR A 181
LEU A 202
TYR A 241
ILE A 282
ASN A 283
 None
 0.73A 1sq5B-3tqcA:
41.2		 1sq5B-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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 LYS A 541
GLY A 540
LEU A 295
ILE A 545
ASN A 738
 None
 1.39A 1sq5B-4a01A:
undetectable		 1sq5B-4a01A:
16.49
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.
4hzs ACTIVATED CDC42
KINASE 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr)
PF14604
(SH3_9) 		5 GLY A 436
HIS A 223
TYR A 326
LEU A 405
ILE A 416
 None
 1.48A 1sq5B-4hzsA:
undetectable		 1sq5B-4hzsA:
22.22
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.
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
 1.47A 1sq5B-4q7qA:
undetectable		 1sq5B-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.
4yv2 SPERMIDINE SYNTHASE,
PUTATIVE

(Trypanosoma
cruzi) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ASP A  98
GLY A  95
HIS A  74
LEU A 116
ILE A 167
 S4M  A 301 (-3.1A)
S4M  A 301 (-3.5A)
S4M  A 301 (-4.0A)
None
None
 1.24A 1sq5B-4yv2A:
1.0		 1sq5B-4yv2A:
20.35
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.
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
 1.43A 1sq5B-5c92A:
undetectable		 1sq5B-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.
5es9 LINEAR GRAMICIDIN
SYNTHETASE SUBUNIT A

(Brevibacillus
parabrevis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00551
(Formyl_trans_N)
PF13193
(AMP-binding_C) 		5 ASP A 265
LEU A 260
HIS A 324
LEU A 241
ILE A 320
 None
 1.41A 1sq5B-5es9A:
2.6		 1sq5B-5es9A:
17.37
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.
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 1sq5B-5hm5A:
undetectable		 1sq5B-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
 1.41A 1sq5B-5jnfC:
undetectable		 1sq5B-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
 1.33A 1sq5B-5k9xA:
undetectable		 1sq5B-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
 1.33A 1sq5B-5ns8A:
undetectable		 1sq5B-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
 1.43A 1sq5B-5oj3A:
undetectable		 1sq5B-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
HIS A 179
LEU A 203
ILE A 276
ASN A 277
 None
 0.99A 1sq5B-5xmbA:
36.2		 1sq5B-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 8 ASP A 129
LEU A 132
GLY A 148
TYR A 182
LEU A 203
TYR A 235
ILE A 276
ASN A 277
 None
 0.93A 1sq5B-5xmbA:
36.2		 1sq5B-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
 0.86A 1sq5B-5xmbA:
36.2		 1sq5B-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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 ASP A 224
LEU A 227
HIS A 205
TYR A 249
LEU A  40
 CA  A 403 ( 2.2A)
None
CA  A 404 (-3.3A)
None
None
 1.48A 1sq5B-6ao1A:
undetectable		 1sq5B-6ao1A:
22.60