SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQB_D_KAND600_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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER N 182
ASP N 185
SER N 160
GLU N 174
GLU N 128
 None
 1.26A 5iqbD-1nmbN:
0.0		 5iqbD-1nmbN:
21.97
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.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		5 ASP A 100
GLU A 331
SER A 350
GLU A 152
GLU A 198
 None
 1.47A 5iqbD-1vclA:
0.0		 5iqbD-1vclA:
21.18
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.
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
 1.38A 5iqbD-1vrqA:
0.4		 5iqbD-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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		5 ASP A 256
SER A 253
ASP A 220
GLU A 108
GLU A 325
 MG  A 400 (-2.6A)
None
MG  A 400 (-2.7A)
None
MG  A 401 (-3.4A)
 1.34A 5iqbD-1xfiA:
2.5		 5iqbD-1xfiA:
22.14
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.
2b0c PUTATIVE PHOSPHATASE

(Escherichia
coli) 		PF13419
(HAD_2) 		5 ASP A  13
SER A 114
ASP A 173
GLU A  55
GLU A 150
 G1P  A 496 (-2.2A)
G1P  A 496 (-2.6A)
G1P  A 496 (-2.4A)
None
None
 1.44A 5iqbD-2b0cA:
undetectable		 5iqbD-2b0cA:
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.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		5 ASP X 416
SER X 406
ASP X 419
SER X  71
GLU X 407
 None
 1.22A 5iqbD-2epkX:
0.0		 5iqbD-2epkX:
20.44
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.
2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN

(Treponema
pallidum) 		PF13416
(SBP_bac_8) 		5 ASP A 240
ASN A  42
TYR A 238
GLU A 150
GLU A 211
 MES  A1326 (-3.2A)
MES  A1326 (-4.3A)
MES  A1326 (-3.6A)
None
None
 1.20A 5iqbD-2v84A:
0.0		 5iqbD-2v84A:
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		6 ASP A 315
ASP A 141
TYR A 311
GLU A 288
GLU A 294
TYR A 291
 None
 1.31A 5iqbD-3a2fA:
1.6		 5iqbD-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 5iqbD-3ckzA:
0.0		 5iqbD-3ckzA:
21.52
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.
3dfy MUCONATE
CYCLOISOMERASE

(Thermotoga
maritima) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 317
ASP A 132
SER A  50
GLU A 295
TYR A  16
 None
 1.48A 5iqbD-3dfyA:
undetectable		 5iqbD-3dfyA:
21.68
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.
3q4d POSSIBLE
CHLOROMUCONATE
CYCLOISOMERASE
MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY

(Cytophaga
hutchinsonii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 320
ASP A 133
SER A  49
GLU A 296
GLU A 216
 DAL  A2472 (-3.0A)
None
None
None
MG  A1602 (-3.1A)
 1.48A 5iqbD-3q4dA:
undetectable		 5iqbD-3q4dA:
21.00
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.
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 5iqbD-3ti8A:
undetectable		 5iqbD-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.
3tsr RIBONUCLEASE
INHIBITOR

(Mus musculus) 		PF13516
(LRR_6) 		5 GLU E 340
SER E 312
GLU E 283
GLU E 311
GLU E 369
 None
 1.35A 5iqbD-3tsrE:
undetectable		 5iqbD-3tsrE:
18.97
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.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 130
ASN A 128
ASP A 174
TYR A 131
SER A  71
 None
 1.10A 5iqbD-3wpeA:
undetectable		 5iqbD-3wpeA:
14.90
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.
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
 1.44A 5iqbD-4dnsA:
undetectable		 5iqbD-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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
ASP A 141
TYR A 311
GLU A 294
TYR A 291
 ASP  A 315 (-0.5A)
ASP  A 141 (-0.5A)
TYR  A 311 ( 1.3A)
GLU  A 294 ( 0.6A)
TYR  A 291 ( 1.3A)
 1.29A 5iqbD-4flxA:
1.3		 5iqbD-4flxA:
17.25
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
 1.45A 5iqbD-4h4cA:
undetectable		 5iqbD-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
 1.12A 5iqbD-4hxeB:
undetectable		 5iqbD-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 5iqbD-4hzzA:
undetectable		 5iqbD-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
 1.30A 5iqbD-4pveA:
undetectable		 5iqbD-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
 1.35A 5iqbD-4pveA:
undetectable		 5iqbD-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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 ASP A 391
SER A 408
ASN A 406
TYR A 455
SER A 453
 None
 1.46A 5iqbD-4qfuA:
2.0		 5iqbD-4qfuA:
22.18
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.
4r27 GLYCOSIDE HYDROLASE

(Microbacterium
sp. Gsoil167) 		PF00232
(Glyco_hydro_1) 		5 ASP A  42
SER A 130
GLU A  88
SER A  86
GLU A  35
 None
 1.12A 5iqbD-4r27A:
undetectable		 5iqbD-4r27A:
20.28
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.
4r9v SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		5 SER A 225
TYR A 196
GLU A 194
SER A 222
TYR A 139
 None
 1.39A 5iqbD-4r9vA:
undetectable		 5iqbD-4r9vA:
20.94
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 5iqbD-5bv5A:
1.7		 5iqbD-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.
5dt9 ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Vibrio cholerae) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 GLU A 355
SER A 357
GLU A 268
GLU A 104
TYR A 137
 None
 1.47A 5iqbD-5dt9A:
undetectable		 5iqbD-5dt9A:
20.30
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.
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
 1.30A 5iqbD-5gz4A:
undetectable		 5iqbD-5gz4A:
16.73
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18) 		5 SER A  66
ASP A  44
SER A 142
GLU A 111
TYR A 295
 None
None
HIS  A 505 ( 3.6A)
HIS  A 505 (-2.8A)
6KY  A 504 (-3.4A)
 1.33A 5iqbD-5jh8A:
undetectable		 5iqbD-5jh8A:
18.92
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.
5t58 KLLA0F02343P

(Kluyveromyces
lactis) 		PF05859
(Mis12) 		5 ASN A  40
TYR A  36
GLU A  73
SER A  70
GLU A  69
 None
 1.47A 5iqbD-5t58A:
2.6		 5iqbD-5t58A:
26.71
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		5 ASP A  39
SER A  37
ASP A 199
TYR A 194
SER A 139
 ZN  A 501 (-2.0A)
None
ZN  A 502 (-2.3A)
None
None
 1.15A 5iqbD-5udyA:
0.7		 5iqbD-5udyA:
19.76
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.
5y3j TOLL-LIKE RECEPTOR 9

(Equus caballus) 		no annotation 5 SER A 131
ASN A 129
ASP A 175
TYR A 132
SER A  72
 None
 1.06A 5iqbD-5y3jA:
undetectable		 5iqbD-5y3jA:
11.26
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 SER A 131
ASN A 129
ASP A 175
TYR A 132
SER A  72
 None
 1.10A 5iqbD-5zlnA:
undetectable		 5iqbD-5zlnA:
17.78
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.
6bck N49P7 FAB HEAVY
CHAIN OF N29P7 IGG
N49P7 FAB LIGHT
CHAIN FROM N49P7 IGG

(Homo sapiens) 		no annotation 5 ASP H 144
SER H 120
GLU L 124
SER L 121
GLU L 160
 None
 1.44A 5iqbD-6bckH:
undetectable		 5iqbD-6bckH:
9.97
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 11 ASP A 374
SER A 376
ASN A 378
ASP A 396
TYR A 408
GLU A 411
SER A 413
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
None
 0.60A 5iqbD-6ceyA:
41.4		 5iqbD-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 6 TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
GLU A 445
 None
 0.87A 5iqbD-6ceyA:
41.4		 5iqbD-6ceyA:
100.00