SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQB_C_KANC600_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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
ASP A 141
TYR A 311
GLU A 288
GLU A 294
 None
 1.25A 5iqbC-3a2fA:
0.0		 5iqbC-3a2fA:
18.09
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
TYR A 311
GLU A 288
GLU A 294
TYR A 291
 None
 1.35A 5iqbC-3a2fA:
0.0		 5iqbC-3a2fA:
18.09
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 ZMR  A 469 ( 4.6A)
None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.5A)
 1.46A 5iqbC-3ckzA:
0.0		 5iqbC-3ckzA:
21.52
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
ASP A 220
GLU A 239
GLU A 274
 None
 0.85A 5iqbC-3n4tA:
31.0		 5iqbC-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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 LNV  A 901 ( 4.6A)
None
LNV  A 901 (-3.6A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-3.4A)
 1.46A 5iqbC-3ti8A:
0.0		 5iqbC-3ti8A:
22.33
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.
4dns FAD-LINKED
OXIDOREDUCTASE BG60

(Cynodon
dactylon) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 485
ASN A 447
ASP A 482
GLU A 101
GLU A 490
 None
 1.32A 5iqbC-4dnsA:
0.0		 5iqbC-4dnsA:
19.48
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.
4dns FAD-LINKED
OXIDOREDUCTASE BG60

(Cynodon
dactylon) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 485
SER A 454
ASN A 447
ASP A 482
GLU A 490
 None
 1.42A 5iqbC-4dnsA:
0.0		 5iqbC-4dnsA:
19.48
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.
4f7z RAP GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4

(Mus musculus) 		PF00027
(cNMP_binding)
PF00610
(DEP)
PF00617
(RasGEF)
PF00618
(RasGEF_N) 		5 GLU A 289
GLU A 286
GLU A 285
GLU A 293
GLU A 183
 None
 1.32A 5iqbC-4f7zA:
1.3		 5iqbC-4f7zA:
13.51
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.
4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE

(Escherichia
coli) 		PF02401
(LYTB) 		5 ASP A 246
SER A 222
ASN A  42
ASP A 250
GLU A  38
 None
 1.44A 5iqbC-4h4cA:
0.0		 5iqbC-4h4cA:
24.18
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.
4hxe PUTATIVE
UNCHARACTERIZED
PROTEIN PH0594

(Pyrococcus
horikoshii) 		PF00326
(Peptidase_S9)
PF07676
(PD40) 		5 SER B 283
ASN B 285
ASP B 364
TYR B 394
GLU B 350
 None
 1.10A 5iqbC-4hxeB:
0.0		 5iqbC-4hxeB:
19.81
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.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 G39  A 509 ( 4.5A)
None
G39  A 509 (-3.3A)
G39  A 509 ( 4.0A)
None
 1.47A 5iqbC-4hzzA:
0.5		 5iqbC-4hzzA:
22.03
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.
4pve POLLEN ALLERGEN PHL
P 4.0202

(Phleum pratense) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 485
ASN A 447
ASP A 482
GLU A  99
GLU A 490
 None
 1.24A 5iqbC-4pveA:
undetectable		 5iqbC-4pveA:
18.90
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.
4pve POLLEN ALLERGEN PHL
P 4.0202

(Phleum pratense) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ASP A 485
SER A 454
ASN A 447
ASP A 482
GLU A 490
 None
 1.33A 5iqbC-4pveA:
undetectable		 5iqbC-4pveA:
18.90
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.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 ASP A 266
SER A 300
ASP A 267
GLU A 406
GLU A 404
 None
 1.24A 5iqbC-4zwlA:
0.0		 5iqbC-4zwlA:
18.73
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.
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
 1.13A 5iqbC-5bv5A:
1.9		 5iqbC-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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 ASN A 565
ASP A 659
TYR A 313
GLU A 568
GLU A 302
 GLC  A1117 (-3.1A)
None
None
None
None
 1.34A 5iqbC-5f7uA:
undetectable		 5iqbC-5f7uA:
14.63
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 ASP A 147
SER A 145
ASP A 305
TYR A 300
GLU A 255
 ZN  A 902 (-1.8A)
None
ZN  A 901 (-2.2A)
None
None
 1.29A 5iqbC-5gz4A:
undetectable		 5iqbC-5gz4A:
16.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 10 ASP A 374
SER A 376
ASN A 378
ASP A 396
TYR A 408
GLU A 411
GLU A 416
GLU A 445
TYR A 448
GLU A 451
 GNP  A 500 (-4.6A)
None
None
MG  A 702 ( 4.8A)
None
None
None
None
None
None
 0.48A 5iqbC-6ceyA:
43.2		 5iqbC-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 9 SER A 376
ASN A 378
TYR A 408
GLU A 411
GLU A 415
GLU A 416
GLU A 445
TYR A 448
GLU A 451
 None
 0.75A 5iqbC-6ceyA:
43.2		 5iqbC-6ceyA:
100.00