SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQB_B_KANB600_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.
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
 1.36A 5iqbB-1vrqA:
0.7		 5iqbB-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)
 1.43A 5iqbB-1xfiA:
2.0		 5iqbB-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 5iqbB-2b0cA:
0.0		 5iqbB-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.
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
 1.28A 5iqbB-2v84A:
undetectable		 5iqbB-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
 1.44A 5iqbB-3a2fA:
0.0		 5iqbB-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.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		5 TYR A  78
GLU A  82
GLU A 178
GLU A  79
GLU A  86
 None
 1.25A 5iqbB-3at7A:
1.3		 5iqbB-3at7A:
19.06
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)
 1.44A 5iqbB-3ckzA:
0.0		 5iqbB-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.
3ol2 PLEXIN-B1
SEMAPHORIN-4D

(Homo sapiens) 		PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI) 		5 SER B 199
ASP B 139
TYR B 200
GLU B 201
GLU A 200
 None
 1.17A 5iqbB-3ol2B:
0.8		 5iqbB-3ol2B:
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.
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)
 1.45A 5iqbB-3ti8A:
0.4		 5iqbB-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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 SER A 177
ASP A 196
GLU A 116
GLU A 275
GLU A 225
 ZMR  A 700 ( 4.6A)
None
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-3.5A)
 1.49A 5iqbB-4cpnA:
undetectable		 5iqbB-4cpnA:
21.61
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.
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
 1.33A 5iqbB-4dnsA:
undetectable		 5iqbB-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
 1.45A 5iqbB-4dnsA:
undetectable		 5iqbB-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.
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
 1.43A 5iqbB-4h4cA:
undetectable		 5iqbB-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.
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
 1.46A 5iqbB-4hzzA:
undetectable		 5iqbB-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
 1.27A 5iqbB-4pveA:
undetectable		 5iqbB-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
 1.36A 5iqbB-4pveA:
undetectable		 5iqbB-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.
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 5iqbB-5bv5A:
0.5		 5iqbB-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.
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
 1.32A 5iqbB-5gz4A:
0.4		 5iqbB-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
 0.53A 5iqbB-6ceyA:
43.1		 5iqbB-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
GLU A 415
GLU A 416
GLU A 445
GLU A 451
 None
 0.95A 5iqbB-6ceyA:
43.1		 5iqbB-6ceyA:
100.00