SIMILAR PATTERNS OF AMINO ACIDS FOR 6CNJ_A_NCTA402

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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		4 TYR A  33
CYH A 279
TYR A 265
LEU A  40
 None
 1.18A 6cnjA-1poiA:
0.0
6cnjB-1poiA:
0.0		 6cnjA-1poiA:
11.64
6cnjB-1poiA:
13.31
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.
2ppq HOMOSERINE KINASE

(Agrobacterium
fabrum) 		PF01636
(APH) 		4 TYR A 222
TRP A 148
TRP A 181
LEU A 177
 None
 1.35A 6cnjA-2ppqA:
0.6
6cnjB-2ppqA:
1.8		 6cnjA-2ppqA:
14.33
6cnjB-2ppqA:
13.23
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 TYR A 370
TRP A  12
CYH A  73
LEU A  69
 None
 1.31A 6cnjA-3nbuA:
0.0
6cnjB-3nbuA:
0.0		 6cnjA-3nbuA:
11.95
6cnjB-3nbuA:
9.26
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.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		4 TYR A 107
TRP A  75
TYR A 147
LEU A 114
 None
 1.34A 6cnjA-3qv2A:
0.0
6cnjB-3qv2A:
0.0		 6cnjA-3qv2A:
12.69
6cnjB-3qv2A:
13.06
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		4 TYR A 219
TYR A 229
TRP A 214
LEU A 211
 None
 1.30A 6cnjA-4c90A:
4.3
6cnjB-4c90A:
4.6		 6cnjA-4c90A:
6.01
6cnjB-4c90A:
7.92
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.
4jwh TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		4 TYR A 162
CYH A 116
TRP A 159
LEU A 152
 None
 1.35A 6cnjA-4jwhA:
0.0
6cnjB-4jwhA:
undetectable		 6cnjA-4jwhA:
14.61
6cnjB-4jwhA:
15.46
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F

(Vibrio cholerae) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 TYR F 212
CYH F 258
TYR F 248
LEU F 152
 FAD  F 502 (-3.8A)
None
None
None
 1.49A 6cnjA-4p6vF:
0.1
6cnjB-4p6vF:
0.0		 6cnjA-4p6vF:
11.23
6cnjB-4p6vF:
10.61
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.
4uy9 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		4 CYH A 210
CYH A 217
TRP A 163
LEU A 144
 None
 1.48A 6cnjA-4uy9A:
0.0
6cnjB-4uy9A:
1.1		 6cnjA-4uy9A:
13.44
6cnjB-4uy9A:
14.84
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.
5ah0 LIPASE

(Pelosinus
fermentans) 		no annotation 4 TYR A 213
CYH A 376
TYR A  40
LEU A 292
 None
 1.47A 6cnjA-5ah0A:
undetectable
6cnjB-5ah0A:
0.0		 6cnjA-5ah0A:
12.87
6cnjB-5ah0A:
11.97
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.
5by6 THYMIDYLATE SYNTHASE

(Trichinella
spiralis) 		PF00303
(Thymidylat_synt) 		4 TYR A 224
TRP A 133
CYH A 158
LEU A 155
 None
 1.14A 6cnjA-5by6A:
undetectable
6cnjB-5by6A:
undetectable		 6cnjA-5by6A:
13.27
6cnjB-5by6A:
15.03
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.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 CYH B 112
TYR A  55
TRP B  61
LEU A  47
 None
 1.45A 6cnjA-5c6gB:
undetectable
6cnjB-5c6gB:
undetectable		 6cnjA-5c6gB:
18.81
6cnjB-5c6gB:
17.13
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.
5m6q UNCHARACTERIZED
PROTEIN

(Kutzneria
albida) 		PF09017
(Transglut_prok) 		4 TYR A  22
TRP A 187
TYR A  29
TRP A  17
 None
None
None
PG4  A 305 ( 4.2A)
 1.21A 6cnjA-5m6qA:
undetectable
6cnjB-5m6qA:
undetectable		 6cnjA-5m6qA:
15.56
6cnjB-5m6qA:
18.96
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 4 TRP A 497
CYH A 202
TRP A 495
LEU A 335
 None
 1.48A 6cnjA-5mqpA:
undetectable
6cnjB-5mqpA:
undetectable		 6cnjA-5mqpA:
12.66
6cnjB-5mqpA:
9.04
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.
5wai POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		no annotation 4 TYR B 117
CYH B 450
CYH B 453
LEU B 467
 None
ZN  B1001 (-2.1A)
ZN  B1001 (-2.2A)
None
 1.36A 6cnjA-5waiB:
undetectable
6cnjB-5waiB:
undetectable		 6cnjA-5waiB:
22.09
6cnjB-5waiB:
20.22
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.
5xyi GUANINE
NUCLEOTIDE-BINDING
PROTEIN BETA
SUBUNIT, PUTATIVE

(Trichomonas
vaginalis) 		no annotation 4 TYR g 322
TRP g 330
CYH g 267
LEU g 318
 None
 1.35A 6cnjA-5xyig:
undetectable
6cnjB-5xyig:
undetectable		 6cnjA-5xyig:
15.36
6cnjB-5xyig:
10.75
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 4 TYR A 369
TRP A  14
CYH A  73
LEU A  69
 None
 1.28A 6cnjA-6bzcA:
undetectable
6cnjB-6bzcA:
0.5		 6cnjA-6bzcA:
24.75
6cnjB-6bzcA:
15.66