SIMILAR PATTERNS OF AMINO ACIDS FOR 3HLW_A_CE3A303_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.
2btl INFECTIOUS
BRONCHITIS VIRUS
NUCLEOCAPSID PROTEIN

(Avian
coronavirus) 		PF00937
(Corona_nucleoca) 		4 ASN A  59
SER A 127
SER A 125
ARG A 126
 None
 1.42A 3hlwA-2btlA:
0.0		 3hlwA-2btlA:
19.01
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.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		4 ASN A 275
SER A 299
SER A 301
ARG A 304
 None
 1.29A 3hlwA-2o5rA:
0.0		 3hlwA-2o5rA:
18.90
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ASN A 436
SER A 174
SER A 232
ARG A 216
 CL  A   7 (-4.3A)
None
None
None
 1.38A 3hlwA-3bgaA:
0.0		 3hlwA-3bgaA:
13.98
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 ASN A 412
SER A 150
SER A 208
ARG A 192
 None
 1.36A 3hlwA-3decA:
0.0		 3hlwA-3decA:
14.53
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		4 ASN N  55
SER N  83
SER N 107
ARG N 111
 None
 1.28A 3hlwA-3j9tN:
undetectable		 3hlwA-3j9tN:
16.73
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.
3lub PUTATIVE CREATININE
AMIDOHYDROLASE

(Bacteroides
fragilis) 		PF02633
(Creatininase) 		4 ASN A   2
SER A  59
SER A  61
ARG A  60
 None
 1.14A 3hlwA-3lubA:
0.0		 3hlwA-3lubA:
21.75
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 ASN A 361
SER A 430
SER A 414
ARG A 403
 None
 1.46A 3hlwA-3nqxA:
0.0		 3hlwA-3nqxA:
22.74
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.
3x38 MITOCHONDRIAL
MORPHOGENESIS
PROTEIN SLD7

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A 185
SER A 231
SER A 234
ARG A 229
 None
 1.33A 3hlwA-3x38A:
undetectable		 3hlwA-3x38A:
15.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		4 ASN A 132
SER A 237
SER A 274
ARG A 276
 None
 1.43A 3hlwA-3znyA:
47.6		 3hlwA-3znyA:
81.75
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.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ASN A 180
SER A 138
SER A  28
ARG A  31
 None
 1.47A 3hlwA-4fquA:
0.0		 3hlwA-4fquA:
21.98
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.
5v51 PR-1 PROTEIN

(Moniliophthora
perniciosa) 		PF00188
(CAP) 		4 ASN A 161
SER A 115
SER A 109
ARG A 114
 SEY  A 201 (-4.7A)
None
None
None
 1.17A 3hlwA-5v51A:
undetectable		 3hlwA-5v51A:
21.84
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.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 4 ASN A 153
SER A 173
SER A 194
ARG A 174
 None
 1.43A 3hlwA-5yjjA:
undetectable		 3hlwA-5yjjA:
16.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 ASN A 104
SER A 237
SER A 274
ARG A 276
 3GK  A 301 ( 3.2A)
3GK  A 301 ( 2.7A)
SO4  A 303 ( 2.8A)
SO4  A 303 (-3.8A)
 0.58A 3hlwA-6bu3A:
49.2		 3hlwA-6bu3A:
97.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 4 ASN A 132
SER A 237
SER A 274
ARG A 276
 3GK  A 301 (-3.5A)
3GK  A 301 ( 2.7A)
SO4  A 303 ( 2.8A)
SO4  A 303 (-3.8A)
 1.16A 3hlwA-6bu3A:
49.2		 3hlwA-6bu3A:
97.50
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 4 ASN A 339
SER A 423
SER A  64
ARG A 437
 None
 1.37A 3hlwA-6frvA:
undetectable		 3hlwA-6frvA:
16.41