SIMILAR PATTERNS OF AMINO ACIDS FOR 1I7Z_A_COCA301_2

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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 GLU A  62
TYR A 100
PRO A  99
ASP A  93
 None
 1.40A 1i7zB-1htqA:
0.2		 1i7zB-1htqA:
18.41
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.
1pe4 NEUROTOXIN CN11

(Centruroides
noxius) 		PF00537
(Toxin_3) 		4 TYR A  46
TYR A   4
PRO A   5
ASP A   2
 None
 1.48A 1i7zB-1pe4A:
undetectable		 1i7zB-1pe4A:
16.15
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.
1u2b CYTOHESIN 3

(Mus musculus) 		PF00169
(PH) 		4 TYR A 296
GLU A 298
PRO A 305
ASP A 302
 SO4  A 501 (-4.8A)
None
None
None
 1.46A 1i7zB-1u2bA:
0.0		 1i7zB-1u2bA:
18.67
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.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		4 TYR B 247
GLU B  96
TYR B  92
ASP B  93
 None
 1.23A 1i7zB-1y56B:
0.0		 1i7zB-1y56B:
18.28
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 TYR A 227
TYR A 220
PRO A  45
ASP A 221
 None
 1.37A 1i7zB-2fuqA:
2.0		 1i7zB-2fuqA:
14.87
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.
2mj3 IRON-SULFUR CLUSTER
BINDING PROTEIN

(Ehrlichia
chaffeensis) 		PF00111
(Fer2) 		4 GLU A  61
TYR A  57
PRO A  54
ASP A  58
 None
 1.17A 1i7zB-2mj3A:
0.0		 1i7zB-2mj3A:
20.67
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.
2r09 CYTOHESIN-3

(Mus musculus) 		PF00169
(PH)
PF01369
(Sec7) 		4 TYR A 295
GLU A 297
PRO A 304
ASP A 301
 4IP  A 405 (-4.5A)
None
None
SO4  A 404 (-4.2A)
 1.47A 1i7zB-2r09A:
0.0		 1i7zB-2r09A:
21.59
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.
2vow SURFACE-ASSOCIATED
PROTEIN

(Methylococcus
capsulatus) 		no annotation 4 TYR A 243
TYR A 233
PRO A 234
ASP A 229
 None
 1.30A 1i7zB-2vowA:
0.5		 1i7zB-2vowA:
22.12
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.
2xu0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF05424
(Duffy_binding)
PF15447
(NTS) 		4 TYR A  34
GLU A  27
TYR A 305
PRO A 302
 None
 1.37A 1i7zB-2xu0A:
undetectable		 1i7zB-2xu0A:
18.82
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.
2yk0 ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding)
PF15447
(NTS) 		4 TYR A  34
GLU A  27
TYR A 305
PRO A 302
 None
 1.39A 1i7zB-2yk0A:
undetectable		 1i7zB-2yk0A:
13.39
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		4 TYR A 330
GLU A 276
PRO A 327
ASP A 309
 None
 1.44A 1i7zB-3brzA:
undetectable		 1i7zB-3brzA:
20.05
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 TYR A 132
GLU A  24
TYR A  23
ASP A  22
 None
 1.37A 1i7zB-3dkhA:
2.0		 1i7zB-3dkhA:
16.25
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.
3g7t ENVELOPE PROTEIN

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 TYR A 326
GLU A 362
PRO A 332
ASP A 360
 None
 1.21A 1i7zB-3g7tA:
4.4		 1i7zB-3g7tA:
21.64
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.
3h7m SENSOR PROTEIN

(Geobacter
sulfurreducens) 		PF00497
(SBP_bac_3) 		4 TYR A  69
TYR A  66
PRO A  67
ASP A  63
 None
 1.46A 1i7zB-3h7mA:
undetectable		 1i7zB-3h7mA:
18.88
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 TYR A 133
GLU A  25
TYR A  24
ASP A  23
 None
 1.39A 1i7zB-3ppsA:
undetectable		 1i7zB-3ppsA:
17.33
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.
3qxb PUTATIVE XYLOSE
ISOMERASE

(Rhodospirillum
rubrum) 		PF01261
(AP_endonuc_2) 		4 TYR A  77
GLU A 267
PRO A 162
ASP A 194
 None
FE  A 301 ( 2.6A)
None
FE  A 301 ( 3.2A)
 1.19A 1i7zB-3qxbA:
undetectable		 1i7zB-3qxbA:
20.82
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.
3qyx ESX-1
SECRETION-ASSOCIATED
REGULATOR ESPR

(Mycobacterium
tuberculosis) 		no annotation 4 TYR A  75
GLU A  83
TYR A  82
ASP A  79
 None
 1.50A 1i7zB-3qyxA:
undetectable		 1i7zB-3qyxA:
21.69
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 TYR A 638
GLU A 647
TYR A 620
ASP A 621
 None
 1.33A 1i7zB-3wiqA:
2.9		 1i7zB-3wiqA:
13.37
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.
4h41 PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF14488
(DUF4434)
PF17134
(DUF5109) 		4 TYR A 349
GLU A 338
PRO A  73
ASP A  66
 None
 1.49A 1i7zB-4h41A:
undetectable		 1i7zB-4h41A:
21.04
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.
4mnr PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Eggerthella
lenta) 		PF00905
(Transpeptidase) 		4 GLU A 429
TYR A 178
PRO A 180
ASP A 408
 None
 1.45A 1i7zB-4mnrA:
undetectable		 1i7zB-4mnrA:
20.57
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.
4n31 SIPA

(Streptococcus
pyogenes) 		PF10502
(Peptidase_S26) 		4 TYR A 116
GLU A 145
TYR A 142
ASP A  48
 None
 1.25A 1i7zB-4n31A:
undetectable		 1i7zB-4n31A:
21.33
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 GLU A 531
TYR A 266
PRO A 269
ASP A 267
 None
 1.31A 1i7zB-4pfwA:
undetectable		 1i7zB-4pfwA:
16.70
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.
4yzf BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF00955
(HCO3_cotransp) 		4 GLU A 758
TYR A 392
PRO A 391
ASP A 396
 None
 1.39A 1i7zB-4yzfA:
undetectable		 1i7zB-4yzfA:
11.19
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.
5k0u CAPSID PROTEIN VP1
CAPSID PROTEIN VP2

(Rhinovirus C) 		PF00073
(Rhv) 		4 TYR C 144
TYR A 185
PRO A 188
ASP A 186
 None
 1.50A 1i7zB-5k0uC:
1.3		 1i7zB-5k0uC:
20.51
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 TYR A 723
TYR A 706
PRO A 704
ASP A 708
 None
 1.13A 1i7zB-5m59A:
4.0		 1i7zB-5m59A:
8.41
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.
5mwl INOSITOL-PENTAKISPHO
SPHATE 2-KINASE

(Mus musculus) 		PF06090
(Ins_P5_2-kin) 		4 TYR A 337
GLU A 334
TYR A 450
ASP A 453
 None
 1.14A 1i7zB-5mwlA:
undetectable		 1i7zB-5mwlA:
20.49
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 TYR A 377
GLU A 391
PRO A 386
ASP A 390
 None
 1.44A 1i7zB-5no8A:
6.2		 1i7zB-5no8A:
15.99
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.
5xxu RIBOSOMAL PROTEIN
ES4
RIBOSOMAL PROTEIN
ES6

(Toxoplasma
gondii) 		PF00467
(KOW)
PF00900
(Ribosomal_S4e)
PF01092
(Ribosomal_S6e)
PF01479
(S4)
PF08071
(RS4NT)
PF16121
(40S_S4_C) 		4 TYR G 206
GLU G 202
TYR E 149
PRO E 150
 None
 1.23A 1i7zB-5xxuG:
undetectable		 1i7zB-5xxuG:
17.60
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.
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6

(Homo sapiens;
Mus musculus) 		no annotation 4 TYR A 295
GLU A 297
PRO A 304
ASP A 301
 4IP  A 603 (-4.5A)
None
None
None
 1.37A 1i7zB-6bbpA:
undetectable		 1i7zB-6bbpA:
14.95
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens) 		no annotation 4 TYR B 340
TYR B 344
PRO B 147
ASP B 145
 None
 1.48A 1i7zB-6d6uB:
2.1		 1i7zB-6d6uB:
15.45