SIMILAR PATTERNS OF AMINO ACIDS FOR 4DFU_B_KANB402_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.
1v4a GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		5 ASP A 173
SER A 172
ASP A 223
GLU A 381
GLU A 327
 None
 1.45A 4dfuB-1v4aA:
0.8		 4dfuB-1v4aA:
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		5 ASP A 109
HIS A 108
ASP A 193
GLU A 134
GLU A 120
 MG  A 506 (-2.9A)
MG  A 506 (-4.6A)
None
None
None
 1.33A 4dfuB-2dqbA:
0.0		 4dfuB-2dqbA:
18.91
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.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ASP A 740
GLU A 203
GLU A 202
GLU A 204
TYR A 236
 None
AIL  A 901 (-3.8A)
None
AIL  A 901 (-2.9A)
None
 1.50A 4dfuB-2oaeA:
2.3		 4dfuB-2oaeA:
18.34
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.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		5 ASP A 284
SER A 286
ASP A 317
HIS A 263
TYR A 367
 None
None
ZN  A 376 (-2.6A)
ZN  A 377 (-3.1A)
None
 1.37A 4dfuB-2qpxA:
undetectable		 4dfuB-2qpxA:
18.88
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.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ASP A 764
ASP A 654
HIS A 653
GLU A 785
GLU A 682
 None
 0.94A 4dfuB-3b2rA:
2.3		 4dfuB-3b2rA:
23.98
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.
3due PUTATIVE PERIPLASMIC
PROTEIN

(Bacteroides
vulgatus) 		PF11396
(PepSY_like) 		5 ASP A  63
ASP A  56
GLU A 116
GLU A  82
GLU A 123
 None
 1.44A 4dfuB-3dueA:
1.1		 4dfuB-3dueA:
19.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ham AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Enterococcus
faecium) 		PF01636
(APH) 		5 ASP A 192
SER A 194
ASP A 213
TRP A 265
TYR A 272
 LLL  A 500 (-2.8A)
LLL  A 500 (-3.3A)
LLL  A 500 (-3.5A)
LLL  A 500 (-3.8A)
LLL  A 500 ( 4.7A)
 1.44A 4dfuB-3hamA:
32.9		 4dfuB-3hamA:
33.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		7 ASP A 197
SER A 199
ASP A 220
GLU A 239
TRP A 271
TYR A 278
TRP A 287
 None
 1.32A 4dfuB-3n4tA:
42.6		 4dfuB-3n4tA:
93.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		7 ASP A 197
SER A 199
HIS A 202
ASP A 220
GLU A 239
TRP A 271
TRP A 287
 None
 0.54A 4dfuB-3n4tA:
42.6		 4dfuB-3n4tA:
93.48
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		5 ASP A 300
SER A 217
ASP A 219
GLU A 393
TYR A 338
 None
 1.26A 4dfuB-3qpfA:
0.0		 4dfuB-3qpfA:
21.33
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ASP A  85
HIS A 118
ASP A  36
GLU A 180
GLU A 196
 ZN  A 602 (-2.8A)
PO4  A 604 (-3.8A)
ZN  A 603 (-3.1A)
None
None
 1.34A 4dfuB-4h1sA:
undetectable		 4dfuB-4h1sA:
20.61
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.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		5 SER A 211
ASP A 209
ASP A 197
GLU A 177
GLU A 176
 None
 1.43A 4dfuB-4kq8A:
undetectable		 4dfuB-4kq8A:
22.05
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.
4qik ROQUIN-1

(Homo sapiens) 		no annotation 5 SER A 304
ASP A 310
HIS A 313
ASP A 284
TRP A 184
 None
None
None
None
CL  A 501 (-4.8A)
 1.45A 4dfuB-4qikA:
undetectable		 4dfuB-4qikA:
17.65
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.
4z31 ROQUIN-2

(Homo sapiens) 		no annotation 5 SER A 301
ASP A 307
HIS A 310
ASP A 281
TRP A 181
 None
 1.40A 4dfuB-4z31A:
undetectable		 4dfuB-4z31A:
19.67
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.
4zlc ROQUIN-2

(Homo sapiens) 		no annotation 5 SER A 301
ASP A 307
HIS A 310
ASP A 281
TRP A 181
 None
 1.41A 4dfuB-4zlcA:
undetectable		 4dfuB-4zlcA:
19.33
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.
5f5f ROQUIN-1

(Mus musculus) 		no annotation 5 SER A 304
ASP A 310
HIS A 313
ASP A 284
TRP A 184
 None
 1.43A 4dfuB-5f5fA:
0.8		 4dfuB-5f5fA:
20.12
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ASP A 320
SER A 257
ASP A 255
ASP A 346
TYR A 464
 None
 1.36A 4dfuB-5gmhA:
undetectable		 4dfuB-5gmhA:
18.60
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.
5wze AMINOPEPTIDASE P

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A  47
SER A  48
ASP A 359
GLU A 264
TYR A  34
 None
 1.38A 4dfuB-5wzeA:
0.4		 4dfuB-5wzeA:
11.64
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 ASP A 374
SER A 376
HIS A 379
ASP A 396
GLU A 411
GLU A 416
 GNP  A 500 (-4.6A)
None
MG  A 700 ( 3.2A)
MG  A 702 ( 4.8A)
None
None
 0.52A 4dfuB-6ceyA:
31.2		 4dfuB-6ceyA:
13.65