SIMILAR PATTERNS OF AMINO ACIDS FOR 6CGG_B_84GB600

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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 SER A 361
ASN A 322
HIS A 356
GLU A 320
GLU A 204
 None
 1.42A 6cggB-1ulqA:
0.0		 6cggB-1ulqA:
20.33
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		5 SER A 377
ASN A 292
GLU A 252
GLU A 168
GLU A 301
 None
NAD  A1002 ( 4.9A)
None
None
None
 1.40A 6cggB-1vrqA:
0.6		 6cggB-1vrqA:
14.67
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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 SER C 352
ASN C 312
HIS C 347
GLU C 310
GLU C 192
 None
ACO  C1003 (-4.4A)
ACO  C1003 (-3.9A)
None
None
 1.45A 6cggB-2d3tC:
0.0		 6cggB-2d3tC:
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 SER A 456
ASN A 399
GLU A 288
GLU A 331
GLU A 381
 246  A1536 (-3.3A)
246  A1536 (-3.4A)
None
None
246  A1536 (-3.3A)
 1.44A 6cggB-2qpmA:
0.0		 6cggB-2qpmA:
17.33
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.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 SER A 348
ASN A 308
HIS A 343
GLU A 306
GLU A 188
 None
 1.40A 6cggB-3goaA:
0.0		 6cggB-3goaA:
18.94
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) 		5 ASP A 197
SER A 199
HIS A 202
GLU A 238
GLU A 239
 None
 0.95A 6cggB-3n4tA:
31.4		 6cggB-3n4tA:
33.85
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.
4dd5 ACETYL-COA
ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 SER A 358
ASN A 321
HIS A 353
GLU A 319
GLU A 203
 None
 1.37A 6cggB-4dd5A:
0.0		 6cggB-4dd5A:
20.49
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.
4e1l ACETOACETYL-COA
THIOLASE 2

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 SER A 354
ASN A 317
HIS A 349
GLU A 315
GLU A 198
 None
IOD  A 403 (-4.4A)
None
None
None
 1.35A 6cggB-4e1lA:
0.0		 6cggB-4e1lA:
22.22
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.
4wu0 SIMILAR TO YTER
(BACILUS SUBTILIS)

(Clostridium
acetobutylicum) 		PF07470
(Glyco_hydro_88) 		5 ASP A 130
HIS A 119
TYR A  25
GLU A  26
GLU A 344
 None
 1.48A 6cggB-4wu0A:
undetectable		 6cggB-4wu0A:
23.30
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 SER A 353
ASN A 316
HIS A 348
GLU A 314
GLU A 198
 None
None
PEG  A 503 (-4.7A)
None
None
 1.44A 6cggB-4wyrA:
undetectable		 6cggB-4wyrA:
20.19
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.
5bv5 CYTOCHROME P450 119

(Sulfolobus
solfataricus) 		PF00067
(p450) 		5 ASP A 224
SER A 251
ASN A 355
TYR A 250
GLU A 296
 None
 1.28A 6cggB-5bv5A:
0.0		 6cggB-5bv5A:
23.77
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ASP A  32
SER A  71
HIS A 241
TYR A  75
GLU A 143
 ZN  A 509 (-1.9A)
ZN  A 509 (-2.0A)
ZN  A 509 (-3.4A)
None
None
 1.35A 6cggB-5egeA:
0.4		 6cggB-5egeA:
20.18
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		5 ASP A 240
SER A  71
HIS A 241
TYR A  75
GLU A 143
 ZN  A 509 (-2.4A)
ZN  A 509 (-2.0A)
ZN  A 509 (-3.4A)
None
None
 1.46A 6cggB-5egeA:
0.4		 6cggB-5egeA:
20.18
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 9 ASP A 374
SER A 376
ASN A 378
HIS A 379
TYR A 408
GLU A 411
GLU A 415
GLU A 416
GLU A 445
 GNP  A 500 (-4.6A)
None
None
MG  A 700 ( 3.2A)
None
None
None
None
None
 0.61A 6cggB-6ceyA:
43.0		 6cggB-6ceyA:
undetectable
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 9 ASP A 374
SER A 376
ASN A 378
HIS A 379
TYR A 408
GLU A 411
GLU A 415
GLU A 416
GLU A 451
 GNP  A 500 (-4.6A)
None
None
MG  A 700 ( 3.2A)
None
None
None
None
None
 0.30A 6cggB-6ceyA:
43.0		 6cggB-6ceyA:
undetectable