SIMILAR PATTERNS OF AMINO ACIDS FOR 1FMJ_B_RTLB501_0

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		10 TYR A 105
TYR A 112
TYR A 120
LEU A 139
SER A 142
LYS A 162
HIS A 164
HIS A 197
MET A 295
ILE A 303
 RTL  A 401 (-4.6A)
RTL  A 401 ( 4.8A)
RTL  A 401 ( 4.5A)
None
RTL  A 401 (-3.2A)
RTL  A 401 (-2.6A)
RTL  A 401 (-4.4A)
RTL  A 401 (-4.2A)
RTL  A 401 ( 4.0A)
RTL  A 401 ( 4.0A)
 0.29A 1fmjB-1fmlA:
56.9		 1fmjB-1fmlA:
100.00
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.
1rkq HYPOTHETICAL PROTEIN
YIDA

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		5 TYR A  48
TYR A  66
LEU A 205
HIS A  52
MET A  11
 None
 1.47A 1fmjB-1rkqA:
0.0		 1fmjB-1rkqA:
21.24
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		5 TYR 1 434
SER 1 460
HIS 1 244
HIS 1 352
ILE 1 424
 None
None
MN  1 602 (-3.3A)
MN  1 601 (-3.6A)
None
 1.14A 1fmjB-1wao1:
0.0		 1fmjB-1wao1:
23.08
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.
2dct HYPOTHETICAL PROTEIN
TTHA0104

(Thermus
thermophilus) 		PF07883
(Cupin_2) 		5 TYR A  53
LEU A   6
HIS A  85
MET A  17
ILE A  20
 None
 1.28A 1fmjB-2dctA:
0.0		 1fmjB-2dctA:
13.43
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.
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5

(Homo sapiens) 		PF00149
(Metallophos)
PF08321
(PPP5) 		5 TYR A 434
SER A 460
HIS A 244
HIS A 352
ILE A 424
 None
None
ZN  A 501 ( 3.3A)
ZN  A 500 ( 3.2A)
None
 1.14A 1fmjB-3h68A:
0.6		 1fmjB-3h68A:
23.45
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.
3umc HALOACID
DEHALOGENASE

(Pseudomonas
aeruginosa) 		PF13419
(HAD_2) 		5 LEU A  75
SER A  71
HIS A  63
HIS A  96
ILE A  91
 None
 1.38A 1fmjB-3umcA:
0.0		 1fmjB-3umcA:
22.04
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.
5t98 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 TYR A 548
TYR A 655
LEU A 641
SER A 547
MET A 365
 None
 1.37A 1fmjB-5t98A:
0.0		 1fmjB-5t98A:
17.65