SIMILAR PATTERNS OF AMINO ACIDS FOR 3HLW_A_CE3A301_2

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.
1vaj HYPOTHETICAL PROTEIN
PH0010

(Pyrococcus
horikoshii) 		PF01871
(AMMECR1) 		4 CYH A 175
PRO A 121
THR A 165
ASP A 180
 None
 1.39A 3hlwA-1vajA:
0.0		 3hlwA-1vajA:
21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
PRO A 167
THR A 235
ASP A 240
 None
 0.56A 3hlwA-2wyxA:
46.0		 3hlwA-2wyxA:
83.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		4 CYH A  72
PRO A 170
THR A 238
ASP A 242
 None
None
SO4  A 301 (-3.9A)
None
 0.45A 3hlwA-3bydA:
47.0		 3hlwA-3bydA:
74.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		4 CYH A  83
PRO A 183
THR A 251
ASP A 255
 DWZ  A 400 (-4.9A)
None
DWZ  A 400 (-3.5A)
None
 0.88A 3hlwA-3dwzA:
41.2		 3hlwA-3dwzA:
44.98
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.
4zoh PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT
PUTATIVE
OXIDOREDUCTASE
IRON-SULFUR SUBUNIT

(Sulfurisphaera
tokodaii) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		4 CYH C  67
PRO B  38
THR C  56
ASP C  48
 FES  C 201 (-2.3A)
None
None
None
 1.42A 3hlwA-4zohC:
0.0		 3hlwA-4zohC:
22.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		4 CYH A  46
PRO A 144
THR A 212
ASP A 216
 None
 0.30A 3hlwA-5e2eA:
44.3		 3hlwA-5e2eA:
58.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vpq BETA-LACTAMASE

(Paraburkholderia
phymatum) 		PF13354
(Beta-lactamase2) 		4 CYH A  57
PRO A 156
THR A 226
ASP A 230
 None
None
None
EDO  A 304 (-3.7A)
 0.51A 3hlwA-5vpqA:
41.6		 3hlwA-5vpqA:
48.39
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.
6ch9 BG18 HEAVY CHAIN

(Homo sapiens) 		no annotation 4 CYH Q 157
PRO Q 136
THR Q 182
ASP Q 225
 None
 1.45A 3hlwA-6ch9Q:
0.0		 3hlwA-6ch9Q:
15.59
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.
6ct0 DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 CYH 0 618
PRO 0 444
THR 0 615
ASP 0 624
 None
 1.43A 3hlwA-6ct00:
undetectable		 3hlwA-6ct00:
17.32