SIMILAR PATTERNS OF AMINO ACIDS FOR 3BEX_B_PAUB248

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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A 200
THR A 141
ASN A 204
GLY A 166
ASP A 170
 None
 1.39A 3bexA-1kclA:
undetectable
3bexB-1kclA:
undetectable		 3bexA-1kclA:
15.87
3bexB-1kclA:
15.87
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		5 LEU A 216
THR A 168
GLY A 142
ASP A 141
THR A 165
 None
 1.04A 3bexA-1smlA:
0.0
3bexB-1smlA:
0.6		 3bexA-1smlA:
20.47
3bexB-1smlA:
20.47
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ASN A 994
VAL A 952
GLY A1185
ASP A1146
THR A1151
 None
 1.28A 3bexA-1yguA:
0.0
3bexB-1yguA:
0.0		 3bexA-1yguA:
17.62
3bexB-1yguA:
17.62
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 LYS A 202
LEU A 199
VAL A 227
GLY A 230
ARG A 231
 None
 1.47A 3bexA-1z05A:
8.6
3bexB-1z05A:
8.5		 3bexA-1z05A:
22.05
3bexB-1z05A:
22.05
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 LYS A 202
LEU A 203
VAL A 227
GLY A 230
ARG A 231
 None
 1.42A 3bexA-1z05A:
8.6
3bexB-1z05A:
8.5		 3bexA-1z05A:
22.05
3bexB-1z05A:
22.05
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.
2f9t PANTOTHENATE KINASE

(Pseudomonas
aeruginosa) 		PF03309
(Pan_kinase) 		6 ASN A   9
VAL A  55
GLY A  99
ASP A 101
ARG A 102
THR A 127
 None
 0.58A 3bexA-2f9tA:
24.0
3bexB-2f9tA:
23.9		 3bexA-2f9tA:
27.37
3bexB-2f9tA:
27.37
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		6 ASN A   8
VAL A  41
GLY A  72
ASP A  74
ARG A  75
THR A  95
 None
 0.47A 3bexA-2nrhA:
18.2
3bexB-2nrhA:
18.2		 3bexA-2nrhA:
23.79
3bexB-2nrhA:
23.79
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 THR A 273
ASN A 294
VAL A 328
GLY A 326
ASP A 333
 None
 1.26A 3bexA-2qghA:
undetectable
3bexB-2qghA:
undetectable		 3bexA-2qghA:
20.37
3bexB-2qghA:
20.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		6 ASN A   9
VAL A  62
GLY A 103
ASP A 105
ARG A 106
THR A 131
 PAU  A 248 (-4.7A)
PAU  A 248 ( 4.4A)
PAU  A 248 (-3.4A)
PAU  A 248 (-3.0A)
PAU  A 248 (-3.9A)
PAU  A 248 (-4.5A)
 0.03A 3bexA-3bexA:
43.0
3bexB-3bexA:
41.8		 3bexA-3bexA:
100.00
3bexB-3bexA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		5 ASN A   9
VAL A  64
GLY A 106
ASP A 108
THR A 135
 None
 0.66A 3bexA-3djcA:
30.4
3bexB-3djcA:
30.4		 3bexA-3djcA:
36.69
3bexB-3djcA:
36.69
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.
4o5f TYPE III
PANTOTHENATE KINASE

(Burkholderia
thailandensis) 		PF03309
(Pan_kinase) 		6 ASN A  12
VAL A  55
GLY A 100
ASP A 102
ARG A 103
THR A 129
 PAU  A 301 ( 4.7A)
PAU  A 301 ( 4.5A)
PAU  A 301 (-3.4A)
PAU  A 301 (-3.0A)
PAU  A 301 (-3.9A)
PAU  A 301 ( 4.5A)
 0.36A 3bexA-4o5fA:
17.1
3bexB-4o5fA:
26.2		 3bexA-4o5fA:
24.82
3bexB-4o5fA:
24.82
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.
5b8h TYPE III
PANTOTHENATE KINASE

(Burkholderia
cenocepacia) 		PF03309
(Pan_kinase) 		6 ASN A  12
VAL A  58
GLY A 103
ASP A 105
ARG A 106
THR A 132
 PAU  A 302 (-4.6A)
PAU  A 302 ( 4.4A)
PAU  A 302 (-3.4A)
PAU  A 302 (-2.8A)
PAU  A 302 (-4.2A)
PAU  A 302 ( 4.4A)
 0.36A 3bexA-5b8hA:
17.3
3bexB-5b8hA:
26.8		 3bexA-5b8hA:
25.08
3bexB-5b8hA:
25.08
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR A 162
ASN A 680
VAL A 708
ARG A 160
THR A  55
 None
 1.46A 3bexA-5fp1A:
undetectable
3bexB-5fp1A:
undetectable		 3bexA-5fp1A:
17.50
3bexB-5fp1A:
17.50
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.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 402
VAL A 471
GLY A 452
ARG A 451
THR A 302
 None
 1.11A 3bexA-5i5dA:
1.2
3bexB-5i5dA:
0.5		 3bexA-5i5dA:
17.32
3bexB-5i5dA:
17.32
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 THR A 402
VAL A 471
GLY A 452
ARG A 451
THR A 302
 None
 1.13A 3bexA-5i5hA:
undetectable
3bexB-5i5hA:
undetectable		 3bexA-5i5hA:
19.29
3bexB-5i5hA:
19.29