SIMILAR PATTERNS OF AMINO ACIDS FOR 6B68_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
 1.38A 6b68A-1dy6A:
39.0
6b68B-1dy6A:
39.0		 6b68A-1dy6A:
16.09
6b68B-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
 0.71A 6b68A-1hzoA:
41.3
6b68B-1hzoA:
41.4		 6b68A-1hzoA:
22.58
6b68B-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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 THR A 459
ILE A 301
TYR A 586
THR A 588
THR A 290
 None
 1.41A 6b68A-1k25A:
13.2
6b68B-1k25A:
13.1		 6b68A-1k25A:
9.69
6b68B-1k25A:
9.69
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.
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)
 1.36A 6b68A-1wojA:
0.0
6b68B-1wojA:
0.0		 6b68A-1wojA:
18.18
6b68B-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
 1.45A 6b68A-2ob5A:
undetectable
6b68B-2ob5A:
undetectable		 6b68A-2ob5A:
16.67
6b68B-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.
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
 0.52A 6b68A-2wyxA:
40.8
6b68B-2wyxA:
40.7		 6b68A-2wyxA:
18.53
6b68B-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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 THR B 459
ILE B 301
TYR B 586
THR B 588
THR B 290
 None
 1.45A 6b68A-2z2mB:
16.1
6b68B-2z2mB:
16.2		 6b68A-2z2mB:
13.87
6b68B-2z2mB:
13.87
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.
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
 0.68A 6b68A-3bfgA:
41.1
6b68B-3bfgA:
41.2		 6b68A-3bfgA:
18.10
6b68B-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
 0.61A 6b68A-3bydA:
41.6
6b68B-3bydA:
41.6		 6b68A-3bydA:
19.09
6b68B-3bydA:
19.09
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
 0.64A 6b68A-3dwzA:
48.5
6b68B-3dwzA:
48.6		 6b68A-3dwzA:
100.00
6b68B-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.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		5 THR A  35
ILE A  18
PRO A  32
THR A 116
ASP A 109
 None
 1.47A 6b68A-4mjkA:
undetectable
6b68B-4mjkA:
undetectable		 6b68A-4mjkA:
16.05
6b68B-4mjkA:
16.05
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 631
TYR A 640
THR A 635
THR A 619
ASP A 583
 None
 1.48A 6b68A-6eojA:
undetectable
6b68B-6eojA:
undetectable		 6b68A-6eojA:
5.09
6b68B-6eojA:
5.09