SIMILAR PATTERNS OF AMINO ACIDS FOR 1LQU_A_ACTA1427

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.
2ix5 ACYL-COENZYME A
OXIDASE 4,
PEROXISOMAL

(Arabidopsis
thaliana) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 HIS A  90
PRO A  93
LYS A  94
ILE A  91
 None
 1.24A 1lquA-2ix5A:
0.0		 1lquA-2ix5A:
22.31
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.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		4 HIS A 107
PRO A 102
LYS A 103
ILE A 104
 None
 1.49A 1lquA-2jjqA:
3.2		 1lquA-2jjqA:
21.32
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.
3b4v FOLLISTATIN-LIKE 3

(Homo sapiens) 		PF07648
(Kazal_2)
PF09289
(FOLN) 		4 HIS C  50
PRO C  51
LYS C  54
ILE C  55
 None
 1.38A 1lquA-3b4vC:
0.0		 1lquA-3b4vC:
20.62
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 HIS A 790
PRO A 791
LYS A 792
ILE A 793
 None
 0.54A 1lquA-3s9vA:
0.3		 1lquA-3s9vA:
21.35
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.
3zu4 PUTATIVE REDUCTASE
YPO4104/Y4119/YP_401
1

(Yersinia pestis) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		4 HIS A  16
PRO A   5
LYS A   4
ILE A   3
 None
 1.38A 1lquA-3zu4A:
1.2		 1lquA-3zu4A:
22.06
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.
4wj0 CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pyrococcus
horikoshii) 		PF01867
(Cas_Cas1) 		4 HIS A 285
PRO A 286
LYS A 287
ILE A 288
 None
 1.14A 1lquA-4wj0A:
0.0		 1lquA-4wj0A:
19.91
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.
4zo4 DEPHOSPHO-COA KINASE

(Campylobacter
jejuni) 		PF01121
(CoaE) 		4 HIS A  90
PRO A  91
LYS A  92
ILE A  93
 None
 1.18A 1lquA-4zo4A:
2.5		 1lquA-4zo4A:
17.99