SIMILAR PATTERNS OF AMINO ACIDS FOR 6B69_A_9F2A302_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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 TYR A 104
PRO A 107
TYR A 129
THR A 215
THR A 216
 None
 1.44A 6b69A-1dy6A:
38.8
6b69B-1dy6A:
38.9		 6b69A-1dy6A:
16.09
6b69B-1dy6A:
16.09
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.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		5 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MES  A1000 (-3.7A)
None
 0.72A 6b69A-1hzoA:
41.2
6b69B-1hzoA:
41.3		 6b69A-1hzoA:
22.58
6b69B-1hzoA:
22.58
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 THR A 825
ILE A 851
THR A 790
THR A 791
ASP A 797
 None
 1.40A 6b69A-1i8qA:
0.0
6b69B-1i8qA:
undetectable		 6b69A-1i8qA:
8.53
6b69B-1i8qA:
8.53
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.
1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Homo sapiens) 		PF05881
(CNPase) 		5 PRO A 167
TYR A 169
THR A 233
THR A 234
ASP A 252
 PRO  A 167 ( 1.1A)
TYR  A 169 ( 1.3A)
THR  A 233 (-0.9A)
THR  A 234 ( 0.9A)
ASP  A 252 ( 0.6A)
 1.33A 6b69A-1wojA:
0.0
6b69B-1wojA:
0.0		 6b69A-1wojA:
18.18
6b69B-1wojA:
18.18
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.
2ob5 HYPOTHETICAL PROTEIN
ATU2016

(Agrobacterium
fabrum) 		PF05025
(RbsD_FucU) 		5 ILE A 128
TYR A 125
THR A  43
THR A  42
ASP A  30
 None
 1.49A 6b69A-2ob5A:
undetectable
6b69B-2ob5A:
0.0		 6b69A-2ob5A:
16.67
6b69B-2ob5A:
16.67
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 THR A 187
PRO A 183
TYR A 211
THR A 209
ASP A 221
 None
 1.47A 6b69A-2v7gA:
0.0
6b69B-2v7gA:
0.0		 6b69A-2v7gA:
9.11
6b69B-2v7gA:
9.11
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.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
 0.56A 6b69A-2wyxA:
40.6
6b69B-2wyxA:
40.5		 6b69A-2wyxA:
18.53
6b69B-2wyxA:
18.53
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		5 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.72A 6b69A-3bfgA:
40.9
6b69B-3bfgA:
41.0		 6b69A-3bfgA:
18.10
6b69B-3bfgA:
18.10
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		5 PRO A 110
TYR A 132
THR A 218
THR A 219
ASP A 242
 None
None
None
SO4  A 301 ( 4.0A)
None
 0.64A 6b69A-3bydA:
41.4
6b69B-3bydA:
41.4		 6b69A-3bydA:
19.09
6b69B-3bydA:
19.09
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.
3dg7 MUCONATE
CYCLOISOMERASE

(Mycolicibacterium
smegmatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A  55
THR A  97
PRO A  49
THR A 301
ASP A 191
 None
None
None
None
MG  A2001 ( 2.6A)
 1.11A 6b69A-3dg7A:
undetectable
6b69B-3dg7A:
undetectable		 6b69A-3dg7A:
13.97
6b69B-3dg7A:
13.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		6 ILE A 117
PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.60A 6b69A-3dwzA:
48.5
6b69B-3dwzA:
48.4		 6b69A-3dwzA:
100.00
6b69B-3dwzA:
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.
3la8 PUTATIVE PURINE
NUCLEOSIDE
PHOSPHORYLASE

(Streptococcus
mutans) 		PF01048
(PNP_UDP_1) 		5 ARG A  98
THR A  94
ILE A 216
PRO A 213
TYR A  84
 None
 1.49A 6b69A-3la8A:
undetectable
6b69B-3la8A:
undetectable		 6b69A-3la8A:
12.54
6b69B-3la8A:
12.54
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 5 THR A 214
ILE A 278
PRO A 254
THR A 318
THR A 268
 None
 1.48A 6b69A-6c01A:
undetectable
6b69B-6c01A:
undetectable		 6b69A-6c01A:
17.50
6b69B-6c01A:
17.50