SIMILAR PATTERNS OF AMINO ACIDS FOR 2HCJ_B_TACB888

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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 THR A 400
SER A 186
ASP A 397
PRO A 403
 None
 1.26A 2hcjA-1qu2A:
0.0
2hcjB-1qu2A:
2.5		 2hcjA-1qu2A:
5.45
2hcjB-1qu2A:
17.97
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.
1ybe NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Agrobacterium
tumefaciens) 		PF04095
(NAPRTase) 		4 THR A 294
SER A 315
ASP A 410
PRO A 313
 None
 1.47A 2hcjA-1ybeA:
0.0
2hcjB-1ybeA:
1.0		 2hcjA-1ybeA:
6.83
2hcjB-1ybeA:
21.98
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.
2lpd UNCHARACTERIZED
PROTEIN

(Burkholderia
pseudomallei) 		PF03621
(MbtH) 		4 THR A  58
SER A  21
ASP A  23
PRO A  19
 None
 1.39A 2hcjA-2lpdA:
0.0
2hcjB-2lpdA:
0.0		 2hcjA-2lpdA:
15.79
2hcjB-2lpdA:
16.30
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		4 THR A 285
SER A 298
ASP A 287
PRO A 254
 None
 1.50A 2hcjA-3fddA:
0.0
2hcjB-3fddA:
1.7		 2hcjA-3fddA:
5.93
2hcjB-3fddA:
20.48
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		4 THR A 511
SER A 485
ASP A 488
PRO A 483
 None
 1.41A 2hcjA-3welA:
0.0
2hcjB-3welA:
0.0		 2hcjA-3welA:
4.29
2hcjB-3welA:
15.65
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 THR A 106
SER A  82
ASP A  80
PRO A  84
 None
ACT  A 405 (-4.5A)
None
EDO  A 408 (-4.7A)
 1.45A 2hcjA-4evqA:
0.0
2hcjB-4evqA:
2.4		 2hcjA-4evqA:
10.94
2hcjB-4evqA:
22.58
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.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 THR A 109
SER A 129
ASP A 131
PRO A 133
 None
None
None
EDO  A 402 (-4.6A)
 1.45A 2hcjA-4k9dA:
0.0
2hcjB-4k9dA:
0.3		 2hcjA-4k9dA:
7.78
2hcjB-4k9dA:
23.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 THR A  26
SER A  66
ASP A  81
PRO A  83
 MG  A 502 ( 3.1A)
None
MG  A 502 (-3.7A)
MG  A 502 ( 4.1A)
 0.85A 2hcjA-4zv4A:
0.0
2hcjB-4zv4A:
42.4		 2hcjA-4zv4A:
64.44
2hcjB-4zv4A:
84.41
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.
6dfz GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Acropora
millepora) 		no annotation 4 THR A 103
SER A 123
ASP A 125
PRO A 127
 None
 1.50A 2hcjA-6dfzA:
0.0
2hcjB-6dfzA:
0.4		 2hcjA-6dfzA:
undetectable
2hcjB-6dfzA:
undetectable