SIMILAR PATTERNS OF AMINO ACIDS FOR 4XUC_A_SAMA303_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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 SER A 102
GLU A  99
SER A 295
ASP A 398
 None
 1.47A 4xucA-1coyA:
0.0		 4xucA-1coyA:
17.38
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.
2i7x PROTEIN CFT2

(Saccharomyces
cerevisiae) 		PF16661
(Lactamase_B_6) 		4 SER A 645
GLU A 351
SER A 107
ASP A 410
 None
 1.46A 4xucA-2i7xA:
2.4		 4xucA-2i7xA:
14.03
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 SER A 266
GLU A  45
SER A  37
ASP A 268
 None
 1.25A 4xucA-2whlA:
0.6		 4xucA-2whlA:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 SER A  72
GLU A  90
SER A 119
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
MG  A 300 (-2.4A)
 0.21A 4xucA-3bwmA:
40.9		 4xucA-3bwmA:
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.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		4 SER A 145
GLU A 150
SER A 109
ASP A 113
 None
 1.47A 4xucA-3fbqA:
0.0		 4xucA-3fbqA:
18.21
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum;
Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		4 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.35A 4xucA-3myrA:
undetectable		 4xucA-3myrA:
23.05
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.
3ozy PUTATIVE MANDELATE
RACEMASE

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 144
GLU A 254
SER A 279
ASP A 331
 None
MG  A 390 (-2.6A)
None
None
 1.29A 4xucA-3ozyA:
0.6		 4xucA-3ozyA:
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.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 SER A 202
GLU A 247
SER A 498
ASP A 319
 None
 1.18A 4xucA-3qdkA:
0.5		 4xucA-3qdkA:
17.97
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		4 SER A 348
GLU A 288
SER A 212
ASP A 219
 None
 1.42A 4xucA-3qpfA:
undetectable		 4xucA-3qpfA:
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.
3wcy INTERFERON
ALPHA/BETA RECEPTOR
1

(Mus musculus) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		4 SER A 245
GLU A 106
SER A 103
ASP A 126
 None
 1.28A 4xucA-3wcyA:
undetectable		 4xucA-3wcyA:
19.75
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.
4a0l CULLIN-4B

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 SER E 622
GLU E 584
SER E 631
ASP E 624
 None
 1.11A 4xucA-4a0lE:
undetectable		 4xucA-4a0lE:
15.56
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 SER A  74
GLU A  94
SER A  69
ASP A  51
 None
 1.38A 4xucA-4kngA:
undetectable		 4xucA-4kngA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		4 SER A 115
GLU A 133
SER A 162
ASP A 184
 None
2F6  A 301 (-2.7A)
2F6  A 301 (-3.2A)
None
 0.76A 4xucA-4p58A:
33.2		 4xucA-4p58A:
81.60
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.
4rl4 GTP CYCLOHYDROLASE-2

(Helicobacter
pylori) 		PF00925
(GTP_cyclohydro2) 		4 SER A  63
GLU A  92
SER A  53
ASP A  67
 None
None
PPV  A 201 ( 4.8A)
None
 1.46A 4xucA-4rl4A:
2.3		 4xucA-4rl4A:
22.37
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.
4ufs LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		4 SER A  74
GLU A  94
SER A  69
ASP A  51
 None
 1.27A 4xucA-4ufsA:
undetectable		 4xucA-4ufsA:
18.60
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		4 SER b 389
GLU b  87
SER b  81
ASP b  90
 None
 1.06A 4xucA-5gw5b:
undetectable		 4xucA-5gw5b:
16.89
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli;
Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1)
PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 SER D 552
GLU D 531
SER F 240
ASP F 219
 None
 1.18A 4xucA-5mg3D:
undetectable		 4xucA-5mg3D:
19.11
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.
5wdr RAS PROTEIN

(Choanoflagellida) 		PF00071
(Ras) 		4 SER A  89
GLU A 144
SER A 146
ASP A  85
 None
None
GNP  A 203 (-3.5A)
None
 1.36A 4xucA-5wdrA:
3.0		 4xucA-5wdrA:
22.02
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.
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)

(Homo sapiens) 		no annotation 4 SER A 454
GLU A 291
SER A  87
ASP A 451
 None
 1.32A 4xucA-6gctA:
undetectable		 4xucA-6gctA:
undetectable