SIMILAR PATTERNS OF AMINO ACIDS FOR 4QC6_B_KANB201_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.
1azw PROLINE
IMINOPEPTIDASE

(Xanthomonas
citri) 		PF00561
(Abhydrolase_1) 		5 GLY A  70
HIS A 232
TYR A 233
ASP A  87
ASP A  19
 None
 1.16A 4qc6B-1azwA:
1.3		 4qc6B-1azwA:
18.41
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 177
GLU A  61
GLN A 249
ASP A 316
GLU A 179
 PQQ  A 701 (-3.7A)
PQQ  A 701 (-2.4A)
None
CA  A 751 (-3.3A)
CA  A 751 (-2.6A)
 1.50A 4qc6B-1flgA:
0.2		 4qc6B-1flgA:
14.52
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 GLY A 333
HIS A 294
GLU A 326
ARG A 403
GLU A 228
 None
None
None
GOL  A1451 (-4.1A)
None
 1.45A 4qc6B-1h4pA:
0.5		 4qc6B-1h4pA:
18.41
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.
1h8l CARBOXYPEPTIDASE
GP180 RESIDUES
503-882

(Lophonetta
specularioides) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 HIS A 181
GLU A 272
GLN A 257
ASP A 258
ASP A 149
 ZN  A 999 ( 3.1A)
GEM  A 801 (-3.0A)
None
None
None
 1.23A 4qc6B-1h8lA:
0.0		 4qc6B-1h8lA:
18.63
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.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 TYR A  29
GLY A  33
TYR A 217
GLU A 131
GLU A  64
 None
 1.25A 4qc6B-1pv9A:
0.0		 4qc6B-1pv9A:
21.04
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.
2p10 MLL9387 PROTEIN

(Mesorhizobium
japonicum) 		PF09370
(PEP_hydrolase) 		5 TYR A  54
GLY A  33
HIS A 232
TYR A 168
GLU A 262
 CL  A 290 (-4.8A)
None
CL  A 289 (-4.5A)
None
None
 1.32A 4qc6B-2p10A:
0.0		 4qc6B-2p10A:
21.23
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.
2xc8 GENE 22 PRODUCT

(Bacillus phage
SPP1) 		no annotation 5 TYR A  85
GLY A  84
GLN A  89
ASP A  87
GLU A  57
 None
 1.49A 4qc6B-2xc8A:
undetectable		 4qc6B-2xc8A:
22.02
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TYR A 504
GLY A 534
TYR A 562
GLU A 560
GLN A 110
 None
 1.47A 4qc6B-3bc9A:
undetectable		 4qc6B-3bc9A:
15.14
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.
3g77 CYTOSINE DEAMINASE

(Escherichia
coli) 		PF07969
(Amidohydro_3) 		5 GLY A 181
GLU A 217
TRP A 319
GLN A 156
ASP A 124
 None
 1.33A 4qc6B-3g77A:
0.0		 4qc6B-3g77A:
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 TYR B2356
GLY B2355
HIS B2342
HIS B2077
GLU B2352
 None
 1.16A 4qc6B-4bedB:
undetectable		 4qc6B-4bedB:
7.01
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 GLY A 176
GLU A 212
TRP A 314
GLN A 151
ASP A 119
 None
17E  A 501 (-2.9A)
17E  A 501 (-3.4A)
17E  A 501 (-2.9A)
None
 1.29A 4qc6B-4r85A:
0.8		 4qc6B-4r85A:
16.44
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		5 GLY A 205
ARG A 253
ASP A 236
ASP A 344
GLU A 204
 None
 1.45A 4qc6B-5firA:
undetectable		 4qc6B-5firA:
12.75
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		5 GLY A 205
ASP A 234
ASP A 344
HIS A 207
GLU A 204
 None
 1.34A 4qc6B-5firA:
undetectable		 4qc6B-5firA:
12.75
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.
5n77 MAGNESIUM TRANSPORT
PROTEIN CORA

(Escherichia
coli) 		PF01544
(CorA) 		5 GLY A 127
TYR A 115
GLU A 138
ARG A 118
GLN A 122
 None
 1.22A 4qc6B-5n77A:
undetectable		 4qc6B-5n77A:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bff AMINOGLYCOSIDE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 7 TYR A  33
TYR A  49
GLU A  51
ARG A  59
GLN A  73
ASP A  98
ASP A 135
 None
None
None
None
None
MG  A 201 (-2.8A)
MG  A 201 (-2.7A)
 0.57A 4qc6B-6bffA:
28.6		 4qc6B-6bffA:
59.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bff AMINOGLYCOSIDE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 6 TYR A  33
TYR A  49
GLU A  51
ARG A  59
GLN A  73
HIS A 164
 None
 1.27A 4qc6B-6bffA:
28.6		 4qc6B-6bffA:
59.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bff AMINOGLYCOSIDE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 8 TYR A  33
TYR A  49
TRP A  53
ARG A  59
GLN A  73
ASP A  98
ASP A 135
GLU A 162
 None
None
None
None
None
MG  A 201 (-2.8A)
MG  A 201 (-2.7A)
None
 0.83A 4qc6B-6bffA:
28.6		 4qc6B-6bffA:
59.22