SIMILAR PATTERNS OF AMINO ACIDS FOR 5M45_A_ACTA802_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.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		4 HIS A 243
ASP A 245
HIS A 290
MET A  88
 None
 1.44A 5m45A-1bhwA:
0.1		 5m45A-1bhwA:
20.60
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.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		4 HIS A 242
ASP A 244
HIS A 284
MET A  87
 None
 1.37A 5m45A-1bxcA:
0.0		 5m45A-1bxcA:
20.08
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.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		4 HIS A  55
ASP A 301
HIS A  57
TRP A 131
 ZN  A 401 (-3.2A)
ZN  A 401 ( 2.6A)
ZN  A 401 (-3.3A)
TEN  A 403 (-4.4A)
 1.24A 5m45A-1eywA:
0.0		 5m45A-1eywA:
19.33
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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 HIS A 471
ASP A 204
HIS A  90
TRP A  95
 ZN  A1102 ( 3.3A)
SWA  A1103 ( 3.0A)
ZN  A1102 ( 3.3A)
SWA  A1103 (-3.6A)
 1.40A 5m45A-1hwwA:
0.7		 5m45A-1hwwA:
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.
2pth PEPTIDYL-TRNA
HYDROLASE

(Escherichia
coli) 		PF01195
(Pept_tRNA_hydro) 		4 HIS A  20
ASP A  93
HIS A 113
MET A  67
 None
 1.49A 5m45A-2pthA:
0.0		 5m45A-2pthA:
15.46
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.
2qsd UNCHARACTERIZED
CONSERVED PROTEIN

(Idiomarina
loihiensis) 		PF07566
(DUF1543) 		4 HIS A  54
ASP A  56
HIS A  25
TRP A  46
 None
 1.33A 5m45A-2qsdA:
0.2		 5m45A-2qsdA:
13.18
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 HIS A 351
ASP A 125
HIS A  13
TRP A  18
 ZN  A 902 (-3.4A)
ZN  A 902 (-3.5A)
ZN  A 902 (-3.4A)
None
 1.43A 5m45A-2wyhA:
0.0		 5m45A-2wyhA:
20.77
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		4 HIS A 160
ASP A 341
HIS A 110
TRP A 207
 EDO  A 494 ( 3.9A)
MG  A 484 (-2.0A)
EDO  A 494 (-4.0A)
EDO  A 490 (-3.5A)
 1.43A 5m45A-3b9tA:
0.0		 5m45A-3b9tA:
20.31
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.
3i70 AGRIN

(Gallus gallus) 		PF03146
(NtA) 		4 HIS A  99
ASP A  29
HIS A  32
MET A  95
 None
 1.22A 5m45A-3i70A:
undetectable		 5m45A-3i70A:
11.24
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.
3nea PEPTIDYL-TRNA
HYDROLASE

(Francisella
tularensis) 		PF01195
(Pept_tRNA_hydro) 		4 HIS A  22
ASP A  95
HIS A 115
MET A  69
 EDO  A 511 (-4.6A)
None
EDO  A 511 ( 4.5A)
None
 1.45A 5m45A-3neaA:
undetectable		 5m45A-3neaA:
13.76
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.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 HIS A  79
ASP A  42
HIS A  39
TRP A  95
 None
 1.33A 5m45A-3tb2A:
undetectable		 5m45A-3tb2A:
13.77
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.
3v2i PEPTIDYL-TRNA
HYDROLASE

(Burkholderia
thailandensis) 		PF01195
(Pept_tRNA_hydro) 		4 HIS A  20
ASP A  93
HIS A 113
MET A  67
 None
 1.48A 5m45A-3v2iA:
0.0		 5m45A-3v2iA:
15.10
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.
4cz1 KYNURENINE
FORMAMIDASE

(Bacillus
anthracis) 		PF04199
(Cyclase) 		4 HIS A  60
ASP A  56
HIS A 161
TRP A  20
 VNJ  A 501 (-4.2A)
ZN  A 401 ( 2.5A)
ZN  A 401 (-3.4A)
VNJ  A 501 (-3.6A)
 1.29A 5m45A-4cz1A:
undetectable		 5m45A-4cz1A:
14.51
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.
4fno PEPTIDYL-TRNA
HYDROLASE

(Pseudomonas
aeruginosa) 		PF01195
(Pept_tRNA_hydro) 		4 HIS A  22
ASP A  95
HIS A 115
MET A  69
 None
 1.48A 5m45A-4fnoA:
undetectable		 5m45A-4fnoA:
14.34
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.
4yly PEPTIDYL-TRNA
HYDROLASE

(Staphylococcus
aureus) 		PF01195
(Pept_tRNA_hydro) 		4 HIS A  19
ASP A  91
HIS A 111
MET A  65
 None
 1.44A 5m45A-4ylyA:
undetectable		 5m45A-4ylyA:
14.16
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		4 HIS A 123
ASP A 126
HIS A 148
MET A 160
 HG  A 701 (-3.3A)
HG  A 701 (-2.0A)
HG  A 701 (-3.5A)
None
 0.78A 5m45A-5l9wA:
39.0		 5m45A-5l9wA:
25.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		6 HIS A 150
ASP A 153
HIS A 175
MET A 187
TRP A 401
TRP A 479
 MN  A 801 (-2.9A)
MN  A 801 (-2.0A)
MN  A 801 (-3.1A)
None
None
None
 0.37A 5m45A-5svcA:
59.4		 5m45A-5svcA:
99.61
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 4 HIS A  22
ASP A 256
HIS A  24
TRP A  97
 FE  A 401 (-3.3A)
FE  A 401 (-2.4A)
FE  A 401 (-3.2A)
None
 1.49A 5m45A-5w3wA:
0.0		 5m45A-5w3wA:
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		4 HIS A 243
ASP A 245
HIS A 285
MET A  88
 None
MG  A 401 ( 3.0A)
None
None
 1.38A 5m45A-5y4jA:
0.0		 5m45A-5y4jA:
23.41
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.
6a31 PEPTIDYL-TRNA
HYDROLASE

(Acinetobacter
baumannii) 		no annotation 4 HIS A  22
ASP A  95
HIS A 115
MET A  69
 None
 1.46A 5m45A-6a31A:
undetectable		 5m45A-6a31A:
undetectable