SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQD_A_RIOA600_0

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.
1btn BETA-SPECTRIN

(Mus musculus) 		PF15410
(PH_9) 		5 ASP A  82
SER A  20
GLU A  12
VAL A  54
GLU A  53
 None
 1.32A 5iqdA-1btnA:
0.1		 5iqdA-1btnA:
15.41
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		5 ASP A 283
SER A 320
GLU A 308
TYR A 271
GLU A 266
 None
 1.23A 5iqdA-1ua7A:
2.3		 5iqdA-1ua7A:
21.30
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.
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
 1.39A 5iqdA-3a2fA:
1.1		 5iqdA-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.
3ve2 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 GLU A 386
SER A 523
GLU A 521
VAL A 407
TYR A 478
 None
 1.21A 5iqdA-3ve2A:
0.0		 5iqdA-3ve2A:
18.24
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ASP A1043
SER A1196
TYR A1055
VAL A1105
TYR A1104
 None
 1.32A 5iqdA-3vuoA:
1.2		 5iqdA-3vuoA:
15.11
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.
3w3s TYPE-2 SERINE--TRNA
LIGASE

(Methanopyrus
kandleri) 		PF00587
(tRNA-synt_2b) 		5 SER A  53
SER A   6
GLU A   8
GLU A  64
VAL A  80
 None
 1.42A 5iqdA-3w3sA:
0.0		 5iqdA-3w3sA:
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.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		5 SER A  58
GLU A  55
VAL A  97
TYR A  93
GLU A  95
 None
 1.28A 5iqdA-3wwpA:
0.0		 5iqdA-3wwpA:
21.05
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.
3zdm SMALL GLUTAMINE-RICH
TETRATRICOPEPTIDE
REPEAT- CONTAINING
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF16546
(SGTA_dimer) 		5 ASP A  38
SER A  41
SER A  52
VAL A  20
GLU A  21
 None
 1.37A 5iqdA-3zdmA:
0.7		 5iqdA-3zdmA:
15.97
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.
4r84 SIALYLTRANSFERASE
0160

(Photobacterium
damselae) 		PF11477
(PM0188) 		5 SER A 225
TYR A 196
GLU A 194
SER A 222
TYR A 139
 None
 1.44A 5iqdA-4r84A:
0.0		 5iqdA-4r84A:
19.25
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		5 SER A  83
TYR A  88
SER A  79
GLU A  81
GLU A 191
 None
 1.26A 5iqdA-4xprA:
0.0		 5iqdA-4xprA:
18.45
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 5 TYR A 137
GLU A 134
SER A 131
GLU A 133
VAL A 143
 None
 1.48A 5iqdA-5ce5A:
undetectable		 5iqdA-5ce5A:
20.59
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;
Homo sapiens) 		no annotation
no annotation 		5 ASP H 144
SER H 120
GLU L 124
SER L 121
GLU L 160
 None
 1.42A 5iqdA-6bckH:
undetectable		 5iqdA-6bckH:
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
TYR A 408
GLU A 411
SER A 413
GLU A 416
VAL A 444
TYR A 448
GLU A 451
 GNP  A 500 (-4.6A)
None
None
None
None
None
None
None
None
 0.31A 5iqdA-6ceyA:
16.7		 5iqdA-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 7 SER A 376
TYR A 408
GLU A 411
SER A 413
GLU A 416
VAL A 444
GLU A 445
 None
 0.78A 5iqdA-6ceyA:
16.7		 5iqdA-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 7 TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
VAL A 444
GLU A 445
 None
 0.99A 5iqdA-6ceyA:
16.7		 5iqdA-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 7 TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
VAL A 444
TYR A 448
 None
 0.83A 5iqdA-6ceyA:
16.7		 5iqdA-6ceyA:
undetectable