SIMILAR PATTERNS OF AMINO ACIDS FOR 2Y00_A_Y00A601_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.
1i1r VIRAL IL-6

(Human
gammaherpesvirus
8) 		PF00489
(IL6) 		4 VAL B 165
PHE B  81
VAL B  22
TRP B  18
 None
 1.24A 2y00A-1i1rB:
1.9		 2y00A-1i1rB:
18.53
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.
1y43 ASPERGILLOPEPSIN II
HEAVY CHAIN

(Aspergillus
niger) 		PF01828
(Peptidase_A4) 		4 VAL B 119
PHE B 124
VAL B  27
TRP B  41
 None
 1.42A 2y00A-1y43B:
undetectable		 2y00A-1y43B:
19.68
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.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		4 VAL A  64
PHE A 168
VAL A 181
TRP A 161
 ODT  A1001 ( 4.4A)
ODT  A1001 (-3.7A)
None
None
 1.36A 2y00A-2bacA:
0.0		 2y00A-2bacA:
21.73
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.
2kdk ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR-LIKE
PROTEIN 2

(Homo sapiens) 		PF14598
(PAS_11) 		4 VAL A 331
PHE A 403
VAL A 372
TRP A 400
 None
 1.25A 2y00A-2kdkA:
undetectable		 2y00A-2kdkA:
17.03
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.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		4 VAL X 135
PHE X 192
VAL X  54
TRP X  53
 None
GOL  X1004 (-3.7A)
None
PPS  X1501 (-3.3A)
 1.48A 2y00A-2zyvX:
0.0		 2y00A-2zyvX:
21.37
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.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 VAL A 275
PHE A 532
VAL A 523
TRP A 522
 None
 1.30A 2y00A-3sqgA:
0.3		 2y00A-3sqgA:
19.51
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.
3ssz MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Rhodobacteraceae
bacterium KLH11) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 VAL A 366
PHE A  67
VAL A  33
TRP A  34
 None
 1.49A 2y00A-3sszA:
0.8		 2y00A-3sszA:
20.28
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 VAL A 100
PHE A 230
VAL A  95
TRP A  48
 None
 1.19A 2y00A-4aieA:
0.1		 2y00A-4aieA:
20.25
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.
4jm2 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 VAL E 286
PHE E 353
VAL E 360
TRP E 395
 None
 1.26A 2y00A-4jm2E:
0.0		 2y00A-4jm2E:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 4 VAL B 125
PHE B 201
VAL B 326
TRP B 330
 P32  B 400 ( 4.7A)
P32  B 400 (-4.0A)
None
None
 0.65A 2y00A-5f8uB:
40.0		 2y00A-5f8uB:
99.37
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.
5msx PUTATIVE
ENDO-1,4-BETA-XYLANA
SE

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF04616
(Glyco_hydro_43) 		4 VAL A 291
PHE A  47
VAL A  68
TRP A  69
 None
 1.08A 2y00A-5msxA:
undetectable		 2y00A-5msxA:
20.04
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.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		4 VAL A 115
PHE A 104
VAL A  62
TRP A  47
 None
 1.19A 2y00A-5swnA:
0.0		 2y00A-5swnA:
22.63
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.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 VAL A  35
PHE A  48
VAL A  59
TRP A  51
 None
 1.16A 2y00A-5xevA:
0.2		 2y00A-5xevA:
23.71