SIMILAR PATTERNS OF AMINO ACIDS FOR 6DM2_A_CYZA1302_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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 PRO C  92
SER C  96
LEU C 128
ASP C 136
ILE C 109
 None
 1.50A 6dm2A-1wa5C:
2.6
6dm2D-1wa5C:
3.5		 6dm2A-1wa5C:
6.01
6dm2D-1wa5C:
6.01
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.
1x5x FIBRONECTIN TYPE-III
DOMAIN CONTAINING
PROTEIN 3A

(Homo sapiens) 		PF00041
(fn3) 		5 MET A  10
SER A   9
LEU A  64
SER A  29
SER A  32
 None
 1.44A 6dm2A-1x5xA:
undetectable
6dm2D-1x5xA:
undetectable		 6dm2A-1x5xA:
17.12
6dm2D-1x5xA:
17.12
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.
2iag PROSTACYCLIN
SYNTHASE

(Homo sapiens) 		PF00067
(p450) 		5 PRO A 290
MET A 486
LEU A 295
SER A 348
ILE A 451
 None
 1.22A 6dm2A-2iagA:
undetectable
6dm2D-2iagA:
undetectable		 6dm2A-2iagA:
11.29
6dm2D-2iagA:
11.29
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		5 PRO A 153
MET A 150
LEU A 173
ASP A 191
LYS A 195
 None
 1.46A 6dm2A-2p3xA:
undetectable
6dm2D-2p3xA:
undetectable		 6dm2A-2p3xA:
13.57
6dm2D-2p3xA:
13.57
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.
2xub DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3

(Homo sapiens) 		PF05645
(RNA_pol_Rpc82)
PF08221
(HTH_9) 		5 PRO A 298
LEU A 308
ASP A 260
ILE A 293
SER A 264
 None
 1.39A 6dm2A-2xubA:
4.4
6dm2D-2xubA:
5.0		 6dm2A-2xubA:
11.09
6dm2D-2xubA:
11.09
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.
3ftj MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		PF12704
(MacB_PCD) 		5 PRO A 439
LEU A 379
SER A 463
ASP A 404
ILE A 472
 None
 1.43A 6dm2A-3ftjA:
undetectable
6dm2D-3ftjA:
undetectable		 6dm2A-3ftjA:
18.91
6dm2D-3ftjA:
18.91
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.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		5 MET A  87
SER A  86
LEU A 274
SER A 277
ILE A 288
 None
 1.07A 6dm2A-3h8lA:
2.1
6dm2D-3h8lA:
3.9		 6dm2A-3h8lA:
11.93
6dm2D-3h8lA:
11.93
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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 PRO A 386
LEU A 286
SER A 250
ASP A 247
ILE A  80
 None
LLP  A 285 ( 4.3A)
None
LLP  A 285 ( 3.0A)
LLP  A 285 (-4.6A)
 1.49A 6dm2A-3w1jA:
2.7
6dm2D-3w1jA:
3.2		 6dm2A-3w1jA:
11.58
6dm2D-3w1jA:
11.58
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.
3wbh ALKALINE PHOSPHATASE

(Halomonas sp.
#593) 		PF00245
(Alk_phosphatase) 		5 PRO A 127
SER A  78
ASP A  59
ILE A  83
SER A  80
 None
 1.46A 6dm2A-3wbhA:
0.9
6dm2D-3wbhA:
2.6		 6dm2A-3wbhA:
10.93
6dm2D-3wbhA:
10.93
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.
4d2i HERA

(Sulfolobus
solfataricus) 		PF01935
(DUF87)
PF05872
(DUF853)
PF09378
(HAS-barrel) 		5 PRO A 194
MET A 320
LEU A 173
ILE A 298
SER A 325
 None
 1.47A 6dm2A-4d2iA:
3.6
6dm2D-4d2iA:
3.1		 6dm2A-4d2iA:
9.55
6dm2D-4d2iA:
9.55
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.
4lvo SUBTILISIN-LIKE
SERINE PROTEASE
SUBTILISIN-LIKE
SERINE PROTEASE

(Plasmodium
falciparum;
Plasmodium
falciparum) 		PF00082
(Peptidase_S8)
no annotation 		5 PRO A 586
MET A 607
LEU A 570
SER A 574
ASP P 217
 None
 1.24A 6dm2A-4lvoA:
7.1
6dm2D-4lvoA:
6.5		 6dm2A-4lvoA:
20.64
6dm2D-4lvoA:
20.64
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.
4zwn MONOGLYCERIDE LIPASE

(Saccharomyces
cerevisiae) 		PF12146
(Hydrolase_4) 		5 LEU A 286
SER A 282
ASP A 251
ILE A  55
SER A 123
 None
 1.39A 6dm2A-4zwnA:
2.0
6dm2D-4zwnA:
3.2		 6dm2A-4zwnA:
12.58
6dm2D-4zwnA:
12.58
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.
5ayn SOLUTE CARRIER
FAMILY 39
(IRON-REGULATED
TRANSPORTER)

(Bdellovibrio
bacteriovorus) 		PF06963
(FPN1) 		5 PRO A 299
SER A 294
LEU A 307
SER A 311
SER A 355
 None
 1.47A 6dm2A-5aynA:
3.0
6dm2D-5aynA:
3.2		 6dm2A-5aynA:
13.99
6dm2D-5aynA:
13.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 MET A 496
SER A 497
LEU A 751
ASP A 760
LYS A 763
 None
 0.95A 6dm2A-5l1bA:
41.9
6dm2D-5l1bA:
40.1		 6dm2A-5l1bA:
100.00
6dm2D-5l1bA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		7 PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
ASP A 760
LYS A 763
 None
 0.72A 6dm2A-5welA:
53.6
6dm2D-5welA:
53.2		 6dm2A-5welA:
100.00
6dm2D-5welA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		7 PRO A 494
MET A 496
SER A 497
LEU A 751
SER A 754
ASP A 760
LYS A 763
 CYZ  A1302 (-4.5A)
CYZ  A1302 (-4.3A)
CYZ  A1302 (-3.2A)
None
CYZ  A1302 ( 4.1A)
CYZ  A1302 (-3.8A)
CYZ  A1302 (-2.9A)
 0.31A 6dm2A-5weoA:
56.2
6dm2D-5weoA:
56.1		 6dm2A-5weoA:
100.00
6dm2D-5weoA:
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.
5x6o DNA DAMAGE
CHECKPOINT PROTEIN
LCD1

(Saccharomyces
cerevisiae) 		no annotation 5 MET G 640
LEU G 575
SER G 579
ILE G 631
SER G 636
 None
 1.49A 6dm2A-5x6oG:
1.3
6dm2D-5x6oG:
undetectable		 6dm2A-5x6oG:
17.65
6dm2D-5x6oG:
17.65