SIMILAR PATTERNS OF AMINO ACIDS FOR 3MES_B_DMEB427_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.
1nw1 CHOLINE KINASE (49.2
KD)

(Caenorhabditis
elegans) 		PF01633
(Choline_kinase) 		8 ASP A 255
GLN A 257
GLU A 320
TYR A 325
TRP A 387
TRP A 390
PHE A 402
TYR A 407
 None
None
CA  A 430 (-3.2A)
CA  A 430 (-4.5A)
None
None
None
None
 0.63A 3mesB-1nw1A:
32.3		 3mesB-1nw1A:
26.18
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.
2qg7 ETHANOLAMINE KINASE
PV091845

(Plasmodium
vivax) 		PF01633
(Choline_kinase) 		6 ASP A 296
GLU A 370
TRP A 421
TRP A 424
PHE A 436
TYR A 441
 None
 0.50A 3mesB-2qg7A:
30.1		 3mesB-2qg7A:
27.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c5i CHOLINE KINASE

(Plasmodium
knowlesi) 		PF01633
(Choline_kinase) 		8 ASP A 218
GLN A 220
GLU A 254
TYR A 259
TRP A 322
TRP A 325
PHE A 339
TYR A 344
 CHT  A1001 (-2.8A)
CHT  A1001 (-3.2A)
CA  A 371 ( 3.4A)
CHT  A1001 ( 4.6A)
CHT  A1001 (-4.3A)
CHT  A1001 (-4.1A)
None
None
 0.78A 3mesB-3c5iA:
38.7		 3mesB-3c5iA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c5i CHOLINE KINASE

(Plasmodium
knowlesi) 		PF01633
(Choline_kinase) 		7 GLN A 220
ASN A 222
GLU A 254
TYR A 259
TRP A 322
PHE A 339
TYR A 344
 CHT  A1001 (-3.2A)
MG  A 370 ( 4.4A)
CA  A 371 ( 3.4A)
CHT  A1001 ( 4.6A)
CHT  A1001 (-4.3A)
None
None
 1.03A 3mesB-3c5iA:
38.7		 3mesB-3c5iA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3feg CHOLINE/ETHANOLAMINE
KINASE

(Homo sapiens) 		PF01633
(Choline_kinase) 		8 ASP A 242
GLN A 244
GLU A 283
TYR A 288
TRP A 353
TRP A 356
PHE A 368
TYR A 373
 HC7  A   1 (-2.8A)
HC7  A   1 (-4.2A)
UNX  A 400 ( 3.2A)
HC7  A   1 ( 3.7A)
HC7  A   1 (-3.9A)
HC7  A   1 (-4.4A)
HC7  A   1 (-3.2A)
HC7  A   1 (-4.0A)
 0.61A 3mesB-3fegA:
35.0		 3mesB-3fegA:
33.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fi8 CHOLINE KINASE

(Plasmodium
falciparum) 		PF01633
(Choline_kinase) 		9 ASP A 288
GLN A 290
ASN A 292
GLU A 324
TYR A 329
TRP A 392
TRP A 395
PHE A 409
TYR A 414
 OPE  A 603 (-3.3A)
OPE  A 603 (-2.6A)
None
OPE  A 603 ( 4.7A)
OPE  A 603 (-4.4A)
OPE  A 603 ( 4.2A)
OPE  A 603 (-4.6A)
None
None
 0.63A 3mesB-3fi8A:
37.9		 3mesB-3fi8A:
36.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fi8 CHOLINE KINASE

(Plasmodium
falciparum) 		PF01633
(Choline_kinase) 		5 SER A 113
ASP A 288
TRP A 392
TRP A 395
PHE A 409
 ADP  A   1 (-4.5A)
OPE  A 603 (-3.3A)
OPE  A 603 ( 4.2A)
OPE  A 603 (-4.6A)
None
 1.32A 3mesB-3fi8A:
37.9		 3mesB-3fi8A:
36.05
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.
4da5 CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		7 ASP A 306
GLU A 349
TYR A 354
TRP A 420
TRP A 423
PHE A 435
TYR A 440
 0H7  A 502 (-3.1A)
0H7  A 502 (-4.4A)
0H7  A 502 (-3.5A)
0H7  A 502 (-3.6A)
0H7  A 502 (-4.1A)
0H7  A 502 ( 3.6A)
0H7  A 502 (-4.9A)
 0.40A 3mesB-4da5A:
35.8		 3mesB-4da5A:
30.00
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.
4da5 CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		7 GLN A 308
GLU A 349
TYR A 354
TRP A 420
TRP A 423
PHE A 435
TYR A 440
 0H7  A 502 (-3.1A)
0H7  A 502 (-4.4A)
0H7  A 502 (-3.5A)
0H7  A 502 (-3.6A)
0H7  A 502 (-4.1A)
0H7  A 502 ( 3.6A)
0H7  A 502 (-4.9A)
 0.54A 3mesB-4da5A:
35.8		 3mesB-4da5A:
30.00
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 SER B 235
GLN B 356
ASN B 358
GLU B 375
TYR B 402
 None
SCN  B 708 (-4.2A)
None
SCN  B 708 (-3.8A)
SCN  B 708 (-4.8A)
 1.43A 3mesB-4l37B:
undetectable		 3mesB-4l37B:
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.
4r7b CHOLINE KINASE

(Streptococcus
pneumoniae) 		PF01633
(Choline_kinase) 		5 ASP A 176
GLU A 213
TRP A 251
TRP A 254
TYR A 268
 CHT  A 301 (-2.8A)
CHT  A 301 (-4.2A)
CHT  A 301 ( 3.6A)
CHT  A 301 (-3.9A)
None
 0.82A 3mesB-4r7bA:
23.1		 3mesB-4r7bA:
29.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		6 ASP A 306
GLU A 349
TYR A 354
TRP A 423
PHE A 435
TYR A 440
 EDO  A1466 ( 3.0A)
NBR  A1458 (-4.0A)
NBR  A1458 (-3.5A)
NBR  A1458 ( 3.5A)
NBR  A1458 (-4.7A)
NBR  A1458 (-4.0A)
 0.44A 3mesB-5ftgA:
35.6		 3mesB-5ftgA:
30.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		6 GLN A 308
GLU A 349
TYR A 354
TRP A 420
TRP A 423
TYR A 440
 NBR  A1458 ( 3.3A)
NBR  A1458 (-4.0A)
NBR  A1458 (-3.5A)
NBR  A1458 (-3.4A)
NBR  A1458 ( 3.5A)
NBR  A1458 (-4.0A)
 0.75A 3mesB-5ftgA:
35.6		 3mesB-5ftgA:
30.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ftg CHOLINE KINASE ALPHA

(Homo sapiens) 		PF01633
(Choline_kinase) 		6 GLN A 308
GLU A 349
TYR A 354
TRP A 423
PHE A 435
TYR A 440
 NBR  A1458 ( 3.3A)
NBR  A1458 (-4.0A)
NBR  A1458 (-3.5A)
NBR  A1458 ( 3.5A)
NBR  A1458 (-4.7A)
NBR  A1458 (-4.0A)
 0.60A 3mesB-5ftgA:
35.6		 3mesB-5ftgA:
30.33