SIMILAR PATTERNS OF AMINO ACIDS FOR 4QC6_A_KANA201_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.
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
 1.22A 4qc6A-1h8lA:
0.0		 4qc6A-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
 1.30A 4qc6A-1pv9A:
0.2		 4qc6A-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.
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 4qc6A-2xc8A:
undetectable		 4qc6A-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.
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
 1.41A 4qc6A-3g77A:
0.0		 4qc6A-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
 1.07A 4qc6A-4bedB:
0.0		 4qc6A-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
HIS A 209
TRP A 314
GLN A 151
ASP A 119
 None
FE2  A 502 ( 3.4A)
17E  A 501 (-3.4A)
17E  A 501 (-2.9A)
None
 1.30A 4qc6A-4r85A:
0.0		 4qc6A-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.
5ivl DEAD-BOX
ATP-DEPENDENT RNA
HELICASE CSHA

(Geobacillus
stearothermophilus) 		no annotation 5 TYR B 265
GLY B 264
HIS B 424
GLN B 378
ASP B 236
 None
 1.47A 4qc6A-5ivlB:
0.0		 4qc6A-5ivlB:
18.79
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		5 GLY A 569
GLU A 160
GLN A 514
ASP A 587
GLU A 172
 None
 1.27A 4qc6A-5jxrA:
0.0		 4qc6A-5jxrA:
13.12
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
GLN A  73
ASP A  98
ASP A 135
 None
None
None
None
MG  A 201 (-2.8A)
MG  A 201 (-2.7A)
 0.58A 4qc6A-6bffA:
28.3		 4qc6A-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
GLN A  73
ASP A  98
HIS A 164
 None
None
None
None
MG  A 201 (-2.8A)
None
 1.18A 4qc6A-6bffA:
28.3		 4qc6A-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 7 TYR A  33
TYR A  49
TRP A  53
GLN A  73
ASP A  98
ASP A 135
GLU A 162
 None
None
None
None
MG  A 201 (-2.8A)
MG  A 201 (-2.7A)
None
 0.79A 4qc6A-6bffA:
28.3		 4qc6A-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
TRP A  53
GLN A  73
ASP A  98
HIS A 164
 None
None
None
None
MG  A 201 (-2.8A)
None
 1.26A 4qc6A-6bffA:
28.3		 4qc6A-6bffA:
59.22
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 5 TYR A 525
GLY A 536
GLN A 589
ASP A 521
HIS A 531
 None
 1.50A 4qc6A-6f8zA:
undetectable		 4qc6A-6f8zA:
18.52