SIMILAR PATTERNS OF AMINO ACIDS FOR 3ROD_B_NCAB302_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
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.
1c0i D-AMINO ACID OXIDASE

(Rhodotorula
toruloides) 		PF01266
(DAO) 		5 TYR A1108
TYR A1132
LEU A1103
ALA A1097
SER A1215
 None
 1.21A 3rodB-1c0iA:
2.1		 3rodB-1c0iA:
25.27
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.
1ed3 CLASS I MAJOR
HISTOCOMPATIBILITY
ANTIGEN RT1-AA

(Rattus
norvegicus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 TYR A 159
TYR A  99
ALA A  67
TYR A   7
TYR A   9
 None
 1.48A 3rodB-1ed3A:
0.0		 3rodB-1ed3A:
24.77
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 TYR A 581
ALA A  35
SER A 322
TYR A 337
SER A 320
 ACR  A 700 (-3.7A)
None
None
ACR  A 700 (-4.3A)
None
 1.45A 3rodB-1lf9A:
0.0		 3rodB-1lf9A:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 TYR A  20
TYR A  24
LEU A 164
TYR A 204
TYR A 242
 SAH  A4001 (-4.2A)
None
SAH  A4001 (-4.3A)
None
None
 0.44A 3rodB-2a14A:
43.1		 3rodB-2a14A:
48.94
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 TYR A 103
LEU A  94
ALA A 382
SER A 222
SER A 227
 None
 1.48A 3rodB-2csdA:
0.0		 3rodB-2csdA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		9 TYR A  21
TYR A  25
LEU A 165
ASP A 198
ALA A 199
SER A 202
TYR A 205
SER A 214
TYR A 243
 SAH  A4001 (-4.5A)
None
SAH  A4001 (-4.2A)
None
None
None
None
None
None
 0.30A 3rodB-2i62A:
45.1		 3rodB-2i62A:
79.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		5 TYR A  21
TYR A  25
LEU A 165
ASP A 198
SER A 202
 SAH  A4001 (-4.5A)
None
SAH  A4001 (-4.2A)
None
None
 1.18A 3rodB-2i62A:
45.1		 3rodB-2i62A:
79.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		5 TYR A  21
TYR A  25
LEU A 165
SER A 214
TYR A 205
 SAH  A4001 (-4.5A)
None
SAH  A4001 (-4.2A)
None
None
 1.30A 3rodB-2i62A:
45.1		 3rodB-2i62A:
79.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		9 TYR A  20
TYR A  24
LEU A 164
ASP A 197
ALA A 198
SER A 201
TYR A 204
SER A 213
TYR A 242
 SAH  A4001 (-4.6A)
None
SAH  A4001 (-4.1A)
None
None
None
None
None
None
 0.35A 3rodB-2iipA:
44.6		 3rodB-2iipA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		7 TYR A  25
TYR A  24
LEU A 164
ASP A 197
ALA A 198
SER A 201
TYR A 242
 SAH  A4001 (-4.4A)
None
SAH  A4001 (-4.1A)
None
None
None
None
 1.50A 3rodB-2iipA:
44.6		 3rodB-2iipA:
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 LEU A 444
ALA A 447
SER A 451
SER A  12
TYR A 388
 None
 1.44A 3rodB-3azqA:
1.5		 3rodB-3azqA:
17.78
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.
3ein GLUTATHIONE
S-TRANSFERASE 1-1

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A  98
ASP A 101
ALA A 159
SER A  15
SER A  66
 None
None
None
None
GSH  A 210 (-2.6A)
 1.44A 3rodB-3einA:
0.0		 3rodB-3einA:
22.34
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.
3f6f CG18548-PA
(IP02196P)
(IP02193P)

(Drosophila
melanogaster) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 LEU A  98
ASP A 101
ALA A 159
SER A  14
SER A  66
 None
 1.48A 3rodB-3f6fA:
undetectable		 3rodB-3f6fA:
19.59
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		5 TYR A 421
ASP A 413
ALA A 411
TYR A 409
SER A 550
 TPQ  A 504 ( 3.8A)
None
None
TPQ  A 504 ( 4.7A)
None
 1.31A 3rodB-3pgbA:
undetectable		 3rodB-3pgbA:
17.58
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.
4i97 DELTA CLASS 1
GLUTATHIONE
S-TRANSFERASE

(Scaptomyza
nigrita) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A  98
ASP A 101
ALA A 159
SER A  15
SER A  66
 None
None
None
None
GSH  A 301 (-2.7A)
 1.44A 3rodB-4i97A:
undetectable		 3rodB-4i97A:
21.16
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.
5zwp GLUTATHIONE
S-TRANSFERASE 1

(Musca domestica) 		no annotation 5 LEU A  97
ASP A 100
ALA A 158
SER A  14
SER A  65
 None
None
None
None
GSH  A 301 (-2.6A)
 1.46A 3rodB-5zwpA:
undetectable		 3rodB-5zwpA:
undetectable