SIMILAR PATTERNS OF AMINO ACIDS FOR 6CM4_A_8NUA2001_1

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.
1usc PUTATIVE STYRENE
MONOOXYGENASE SMALL
COMPONENT

(Thermus
thermophilus) 		PF01613
(Flavin_Reduct) 		4 ASP A 130
ALA A  37
SER A  53
PHE A  13
 None
FMN  A1179 (-3.5A)
None
None
 1.36A 6cm4A-1uscA:
undetectable		 6cm4A-1uscA:
15.42
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.
2gb3 ASPARTATE
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF00155
(Aminotran_1_2) 		4 ASP A 228
ALA A 236
SER A 273
PHE A 284
 None
 1.26A 6cm4A-2gb3A:
0.0		 6cm4A-2gb3A:
21.61
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 ASP A 181
ALA A 506
SER A 510
PHE A 141
 NAG  A 710 ( 3.4A)
None
None
None
 1.33A 6cm4A-3dkhA:
0.0		 6cm4A-3dkhA:
20.72
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 ASP A 182
ALA A 507
SER A 511
PHE A 142
 NAG  A 700 (-3.5A)
None
None
NAG  A 700 (-4.5A)
 1.34A 6cm4A-3ppsA:
0.0		 6cm4A-3ppsA:
20.55
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		4 ASP A 242
ALA A  86
SER A  95
PHE A 276
 None
 1.40A 6cm4A-3syjA:
0.0		 6cm4A-3syjA:
17.91
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus) 		PF00144
(Beta-lactamase) 		4 ASP A 323
ALA A 319
SER A 308
PHE A 301
 None
 1.27A 6cm4A-3zytA:
0.0		 6cm4A-3zytA:
21.30
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.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		4 ASP A 243
ALA A 191
SER A 169
PHE A  33
 None
 0.97A 6cm4A-4b2oA:
0.0		 6cm4A-4b2oA:
20.65
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 ASP A 344
ALA A 399
SER A 451
PHE A 388
 None
 1.35A 6cm4A-4bziA:
0.4		 6cm4A-4bziA:
19.43
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.
4mu9 GLYCOSIDE HYDROLASE
FAMILY 73

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 ASP A 244
ALA A 201
SER A 199
PHE A 315
 None
 1.23A 6cm4A-4mu9A:
0.0		 6cm4A-4mu9A:
21.83
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.
4zgz ANTIZYME INHIBITOR 1
ORNITHINE
DECARBOXYLASE
ANTIZYME 1

(Homo sapiens;
Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
PF02100
(ODC_AZ) 		4 ASP A 387
ALA A  88
SER A  90
PHE B 192
 None
 1.41A 6cm4A-4zgzA:
undetectable		 6cm4A-4zgzA:
22.99
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 ASP A 988
ALA A 942
SER A 659
PHE A1042
 None
 1.48A 6cm4A-4zhjA:
undetectable		 6cm4A-4zhjA:
15.19
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.
5c5b DCC-INTERACTING
PROTEIN 13-ALPHA

(Homo sapiens) 		PF00169
(PH)
PF16746
(BAR_3) 		4 ASP A  15
ALA A 142
SER A 170
PHE A 133
 None
 1.46A 6cm4A-5c5bA:
4.3		 6cm4A-5c5bA:
21.38
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.
5ipy FLAVIN-CONTAINING
MONOOXYGENASE

(Roseovarius
nubinhibens) 		PF00743
(FMO-like) 		4 ASP A 392
ALA A 382
SER A 388
PHE A 320
 None
 1.40A 6cm4A-5ipyA:
undetectable		 6cm4A-5ipyA:
20.78
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.
5iv9 LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Klebsiella
pneumoniae;
Klebsiella
pneumoniae) 		PF03968
(OstA)
PF04453
(OstA_C)
PF04390
(LptE) 		4 ASP B 141
ALA A 305
SER A 336
PHE A 353
 None
 1.50A 6cm4A-5iv9B:
0.1		 6cm4A-5iv9B:
18.03
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		4 ASP A  68
ALA A  59
SER A  81
PHE A 816
 None
 1.48A 6cm4A-5lq3A:
undetectable		 6cm4A-5lq3A:
18.66
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.
5t4x RETINAL ROD
RHODOPSIN-SENSITIVE
CGMP 3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT DELTA

(Mus musculus) 		no annotation 4 ASP A  37
ALA A  68
SER A  66
PHE A 133
 None
 1.14A 6cm4A-5t4xA:
undetectable		 6cm4A-5t4xA:
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		4 ASP A 655
ALA A 902
SER A 908
PHE A 930
 None
 1.46A 6cm4A-5u1sA:
2.4		 6cm4A-5u1sA:
13.92
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.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		4 ASP A1706
ALA A1766
SER A1757
PHE A1675
 None
 1.40A 6cm4A-5xjyA:
1.3		 6cm4A-5xjyA:
11.75
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Homo sapiens;
Escherichia
virus T4) 		no annotation 4 ASP A 114
ALA A 122
SER A 197
PHE A 389
 8NU  A2001 ( 3.0A)
8NU  A2001 ( 3.3A)
8NU  A2001 ( 3.6A)
8NU  A2001 ( 4.5A)
 0.01A 6cm4A-6cm4A:
55.7		 6cm4A-6cm4A:
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.
6dft


(;
) 		no annotation
no annotation 		4 ASP B 316
ALA A 398
SER A 404
PHE B 118
 NAD  B 500 (-3.6A)
NAD  A 502 (-3.1A)
NAD  B 500 (-3.8A)
None
 1.38A 6cm4A-6dftB:
undetectable		 6cm4A-6dftB:
undetectable