SIMILAR PATTERNS OF AMINO ACIDS FOR 6B68_C_9F2C302_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 6b68C-1dy6A:
38.8
6b68D-1dy6A:
38.9		 6b68C-1dy6A:
16.09
6b68D-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.
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
 1.45A 6b68C-1i8qA:
0.0
6b68D-1i8qA:
0.0		 6b68C-1i8qA:
8.53
6b68D-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)
 1.35A 6b68C-1wojA:
0.0
6b68D-1wojA:
0.0		 6b68C-1wojA:
18.18
6b68D-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.
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
 1.50A 6b68C-2v7gA:
0.0
6b68D-2v7gA:
0.0		 6b68C-2v7gA:
9.11
6b68D-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
 0.61A 6b68C-2wyxA:
40.7
6b68D-2wyxA:
40.6		 6b68C-2wyxA:
18.53
6b68D-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
 0.76A 6b68C-3bfgA:
40.9
6b68D-3bfgA:
41.0		 6b68C-3bfgA:
18.10
6b68D-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
 0.67A 6b68C-3bydA:
41.5
6b68D-3bydA:
41.5		 6b68C-3bydA:
19.09
6b68D-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
 0.65A 6b68C-3dwzA:
48.4
6b68D-3dwzA:
48.5		 6b68C-3dwzA:
100.00
6b68D-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
 1.50A 6b68C-3la8A:
0.0
6b68D-3la8A:
0.0		 6b68C-3la8A:
12.54
6b68D-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.
3nva CTP SYNTHASE

(Sulfolobus
solfataricus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 TYR A   5
THR A 139
ILE A 127
THR A  85
ASP A 121
 None
 1.47A 6b68C-3nvaA:
undetectable
6b68D-3nvaA:
undetectable		 6b68C-3nvaA:
11.71
6b68D-3nvaA:
11.71
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
 1.50A 6b68C-4mjkA:
undetectable
6b68D-4mjkA:
undetectable		 6b68C-4mjkA:
16.05
6b68D-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.
5cdf ATP SYNTHASE SUBUNIT
BETA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 GLN E 412
THR E 329
ILE E 132
THR E 301
ASP E 415
 None
 1.17A 6b68C-5cdfE:
undetectable
6b68D-5cdfE:
undetectable		 6b68C-5cdfE:
11.33
6b68D-5cdfE:
11.33
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 GLN A 550
ILE A 547
THR A 739
THR A 732
ASP A 577
 None
 1.28A 6b68C-5uj6A:
undetectable
6b68D-5uj6A:
undetectable		 6b68C-5uj6A:
7.26
6b68D-5uj6A:
7.26
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 GLN A 149
ILE A  22
PRO A  24
TYR A  27
ASP A  16
 None
 1.50A 6b68C-6bvdA:
undetectable
6b68D-6bvdA:
undetectable		 6b68C-6bvdA:
19.15
6b68D-6bvdA:
19.15
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 6b68C-6eojA:
undetectable
6b68D-6eojA:
undetectable		 6b68C-6eojA:
5.09
6b68D-6eojA:
5.09