SIMILAR PATTERNS OF AMINO ACIDS FOR 2BUE_A_RIOA1201

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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 627
TYR A 766
GLU A 543
GLN A 506
SER A 542
 None
 1.48A 2bueA-1dgjA:
1.4		 2bueA-1dgjA:
12.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qir AMINOGLYCOSIDE
6-N-ACETYLTRANSFERAS
E TYPE IB11

(Salmonella
enterica) 		PF13523
(Acetyltransf_8) 		10 TRP A  39
TYR A  55
GLU A  63
GLN A  81
TYR A  83
SER A  88
TRP A  92
TRP A  93
ASP A 105
ASP A 142
 9CS  A 501 (-4.1A)
None
9CS  A 501 (-4.6A)
9CS  A 501 (-4.0A)
9CS  A 501 (-3.4A)
9CS  A 501 (-3.0A)
9CS  A 501 (-4.1A)
9CS  A 501 (-4.3A)
9CS  A 501 (-2.9A)
9CS  A 501 (-2.5A)
 0.63A 2bueA-2qirA:
32.5		 2bueA-2qirA:
90.29
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.
3gs6 BETA-HEXOSAMINIDASE

(Vibrio cholerae) 		PF00933
(Glyco_hydro_3) 		5 GLY A 234
GLN A 227
TYR A 223
SER A 221
TRP A 224
 None
 1.16A 2bueA-3gs6A:
0.0		 2bueA-3gs6A:
18.64
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TRP A 320
TYR A 325
TYR A  56
SER A  24
ASP A 241
 0XW  A 403 (-4.0A)
None
0XW  A 403 (-4.7A)
None
MG  A 401 ( 3.1A)
 1.13A 2bueA-4h2hA:
0.4		 2bueA-4h2hA:
18.21
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.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TRP A 321
TYR A 326
TYR A  56
SER A  24
ASP A 242
 4OP  A 416 ( 3.8A)
None
4OP  A 416 (-4.4A)
None
MG  A 414 ( 3.1A)
 1.18A 2bueA-4izgA:
0.4		 2bueA-4izgA:
19.39
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.
4qc6 BIFUNCTIONAL AAC/APH

(Staphylococcus
warneri) 		PF13523
(Acetyltransf_8) 		6 GLY A  35
TYR A  50
GLN A  74
TYR A  76
ASP A  99
ASP A 136
 FMT  A 203 ( 3.5A)
KAN  A 201 ( 3.9A)
KAN  A 201 (-3.1A)
None
KAN  A 201 ( 3.9A)
KAN  A 201 (-3.8A)
 0.91A 2bueA-4qc6A:
20.0		 2bueA-4qc6A:
28.06
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.
6bff AMINOGLYCOSIDE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 5 TYR A  49
GLN A  73
TYR A  75
ASP A  98
ASP A 135
 None
None
None
MG  A 201 (-2.8A)
MG  A 201 (-2.7A)
 0.79A 2bueA-6bffA:
21.0		 2bueA-6bffA:
24.75