SIMILAR PATTERNS OF AMINO ACIDS FOR 2YK1_H_NCTH300_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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 GLY A 224
SER A 225
VAL A 215
TYR A 253
ALA A 255
 None
 1.45A 2yk1H-1fc4A:
0.0
2yk1L-1fc4A:
0.0		 2yk1H-1fc4A:
21.09
2yk1L-1fc4A:
19.00
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.
1g6q HNRNP ARGININE
N-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF06325
(PrmA) 		5 GLY 1 114
VAL 1 119
TYR 1 149
TYR 1 154
ALA 1 150
 None
 1.40A 2yk1H-1g6q1:
2.4
2yk1L-1g6q1:
0.7		 2yk1H-1g6q1:
20.18
2yk1L-1g6q1:
19.70
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.
1h1a ENDO-1,4-BETA-XYLANA
SE

(Chaetomium
thermophilum) 		PF00457
(Glyco_hydro_11) 		5 ILE A 174
GLY A  48
SER A  17
VAL A  47
TYR A  88
 None
 1.44A 2yk1H-1h1aA:
0.0
2yk1L-1h1aA:
2.4		 2yk1H-1h1aA:
27.36
2yk1L-1h1aA:
23.75
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.
1qd1 FORMIMINOTRANSFERASE
-CYCLODEAMINASE

(Sus scrofa) 		PF02971
(FTCD)
PF07837
(FTCD_N) 		5 ILE A 187
GLY A 266
SER A 267
TYR A 285
ALA A 281
 None
 0.92A 2yk1H-1qd1A:
0.0
2yk1L-1qd1A:
0.0		 2yk1H-1qd1A:
22.59
2yk1L-1qd1A:
21.17
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 GLY A 116
VAL A 115
GLU A 106
TYR A  54
TYR A  52
 None
 1.17A 2yk1H-2xsgA:
0.4
2yk1L-2xsgA:
2.3		 2yk1H-2xsgA:
13.82
2yk1L-2xsgA:
14.90
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.
3gdc MULTICOPPER OXIDASE

(Arthrobacter
sp. FB24) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ILE A 162
GLY A 138
TRP A  80
GLU A 164
ALA A 172
 None
 1.35A 2yk1H-3gdcA:
1.7
2yk1L-3gdcA:
2.5		 2yk1H-3gdcA:
22.00
2yk1L-3gdcA:
20.00
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.
3nad FERULATE
DECARBOXYLASE

(Bacillus
pumilus) 		PF05870
(PA_decarbox) 		5 ILE A  33
GLY A  36
SER A  35
TYR A  11
ALA A 128
 None
 1.35A 2yk1H-3nadA:
0.0
2yk1L-3nadA:
0.6		 2yk1H-3nadA:
17.81
2yk1L-3nadA:
19.31
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.
3rwg MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ILE A 124
SER A 116
TYR A  84
TYR A  85
ALA A  81
 None
 1.10A 2yk1H-3rwgA:
9.3
2yk1L-3rwgA:
11.4		 2yk1H-3rwgA:
22.86
2yk1L-3rwgA:
24.57
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ILE A 501
GLY A -10
SER A -11
VAL A  -8
TRP A 475
 None
 1.27A 2yk1H-3sutA:
undetectable
2yk1L-3sutA:
undetectable		 2yk1H-3sutA:
20.00
2yk1L-3sutA:
18.25
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.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 ILE A 274
GLY A 276
SER A 275
TYR A 321
ALA A 324
 None
 1.47A 2yk1H-3ua4A:
3.1
2yk1L-3ua4A:
2.5		 2yk1H-3ua4A:
15.72
2yk1L-3ua4A:
14.73
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.
4a7w URIDYLATE KINASE

(Helicobacter
pylori) 		PF00696
(AA_kinase) 		5 SER A 157
GLU A 154
TYR A 118
TYR A 116
ALA A 121
 None
 1.03A 2yk1H-4a7wA:
undetectable
2yk1L-4a7wA:
undetectable		 2yk1H-4a7wA:
21.09
2yk1L-4a7wA:
23.64
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.
4gom DNA ADENINE
METHYLASE

(Escherichia
coli) 		PF02086
(MethyltransfD12) 		5 GLY D  37
VAL D  36
GLU D  33
TYR D  50
ALA D 158
 0Y0  D 301 ( 3.8A)
None
None
None
None
 1.49A 2yk1H-4gomD:
undetectable
2yk1L-4gomD:
undetectable		 2yk1H-4gomD:
21.88
2yk1L-4gomD:
20.96
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.
4p5w CALCIUM-BINDING
MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2,CALCIUM-BIND
ING MITOCHONDRIAL
CARRIER PROTEIN
ARALAR2

(Homo sapiens) 		no annotation 5 ILE A  73
GLY A  63
VAL A  64
TYR A 640
ALA A 643
 None
 1.33A 2yk1H-4p5wA:
undetectable
2yk1L-4p5wA:
undetectable		 2yk1H-4p5wA:
18.69
2yk1L-4p5wA:
17.41
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 ILE A 143
GLY A 134
SER A 671
VAL A 136
ALA A 390
 CLA  A1106 ( 4.7A)
None
None
None
None
 1.28A 2yk1H-4rkuA:
undetectable
2yk1L-4rkuA:
undetectable		 2yk1H-4rkuA:
13.57
2yk1L-4rkuA:
14.73
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		5 ILE A 372
VAL A 390
TRP A 373
GLU A 392
TYR A 212
 None
None
LOG  A 702 ( 3.9A)
None
None
 1.39A 2yk1H-5bxpA:
undetectable
2yk1L-5bxpA:
undetectable		 2yk1H-5bxpA:
14.31
2yk1L-5bxpA:
14.99
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.
5kin TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Streptococcus
pneumoniae) 		PF00290
(Trp_syntA) 		5 ILE A  67
GLY A 233
SER A 234
GLU A  52
TYR A 175
 None
 1.28A 2yk1H-5kinA:
undetectable
2yk1L-5kinA:
undetectable		 2yk1H-5kinA:
23.81
2yk1L-5kinA:
19.49
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.
6dnh PRE-MRNA 3' END
PROCESSING PROTEIN
WDR33

(Homo sapiens) 		no annotation 5 GLY B 393
SER B 392
TYR B 415
ALA B 373
TRP B 402
 None
 1.48A 2yk1H-6dnhB:
undetectable
2yk1L-6dnhB:
undetectable		 2yk1H-6dnhB:
13.88
2yk1L-6dnhB:
13.94