SIMILAR PATTERNS OF AMINO ACIDS FOR 3ROD_C_NCAC302

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.
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
 1.45A 3rodC-1ed3A:
undetectable		 3rodC-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.
1ezw COENZYME
F420-DEPENDENT
N5,N10-METHYLENETETR
AHYDROMETHANOPTERIN
REDUCTASE

(Methanopyrus
kandleri) 		PF00296
(Bac_luciferase) 		5 TYR A  45
LEU A  83
ASP A  84
ALA A  81
ALA A  91
 None
 1.12A 3rodC-1ezwA:
0.6		 3rodC-1ezwA:
20.62
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 TYR A 367
ASP A  34
ALA A  30
ALA A  35
TYR A 366
 None
 1.50A 3rodC-1ud3A:
1.0		 3rodC-1ud3A:
18.01
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
 0.48A 3rodC-2a14A:
42.3		 3rodC-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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		5 TYR I  63
ALA I 293
ASP I  72
ALA I 242
SER I 291
 None
 1.43A 3rodC-2b4xI:
undetectable		 3rodC-2b4xI:
21.62
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.
2gdu SUCROSE
PHOSPHORYLASE

(Bifidobacterium
adolescentis) 		PF00128
(Alpha-amylase)
PF09244
(DUF1964) 		5 TYR A 378
TYR A 379
ALA A  51
ASP A 400
TYR A  10
 None
 1.33A 3rodC-2gduA:
0.3		 3rodC-2gduA:
20.44
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) 		10 TYR A  21
TYR A  25
LEU A 165
ASP A 168
ALA A 169
ASP A 198
ALA A 199
TYR A 205
SER A 214
TYR A 243
 SAH  A4001 (-4.5A)
None
SAH  A4001 (-4.2A)
None
SAH  A4001 ( 4.1A)
None
None
None
None
None
 0.42A 3rodC-2i62A:
44.3		 3rodC-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) 		6 TYR A  21
TYR A  25
LEU A 165
ASP A 198
TYR A 205
SER A 202
 SAH  A4001 (-4.5A)
None
SAH  A4001 (-4.2A)
None
None
None
 1.37A 3rodC-2i62A:
44.3		 3rodC-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  26
TYR A  25
ASP A 198
ALA A 199
TYR A 243
 SAH  A4001 (-4.4A)
None
None
None
None
 1.31A 3rodC-2i62A:
44.3		 3rodC-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) 		6 TYR A  26
TYR A  25
LEU A 165
ASP A 198
ALA A 199
TYR A 243
 SAH  A4001 (-4.4A)
None
SAH  A4001 (-4.2A)
None
None
None
 1.50A 3rodC-2i62A:
44.3		 3rodC-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) 		10 TYR A  20
TYR A  24
LEU A 164
ASP A 167
ALA A 168
ASP A 197
ALA A 198
TYR A 204
SER A 213
TYR A 242
 SAH  A4001 (-4.6A)
None
SAH  A4001 (-4.1A)
None
SAH  A4001 ( 3.9A)
None
None
None
None
None
 0.42A 3rodC-2iipA:
43.6		 3rodC-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) 		5 TYR A  20
TYR A  24
LEU A 164
ASP A 197
SER A 201
 SAH  A4001 (-4.6A)
None
SAH  A4001 (-4.1A)
None
None
 1.00A 3rodC-2iipA:
43.6		 3rodC-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) 		5 TYR A  24
ASP A 197
ALA A 198
TYR A 204
TYR A 242
 None
 1.36A 3rodC-2iipA:
43.6		 3rodC-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 167
ASP A 197
ALA A 198
TYR A 242
 SAH  A4001 (-4.4A)
None
SAH  A4001 (-4.1A)
None
None
None
None
 1.42A 3rodC-2iipA:
43.6		 3rodC-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.
3e15 GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Plasmodium
vivax) 		PF01182
(Glucosamine_iso) 		5 TYR A 180
TYR A 186
ASP A 231
TYR A 213
SER A 229
 None
 1.28A 3rodC-3e15A:
2.8		 3rodC-3e15A:
22.94
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.
3gzd SELENOCYSTEINE LYASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		5 TYR C 261
ASP C  35
ALA C  38
TYR C  36
SER C 417
 None
None
NO3  C 600 (-3.6A)
None
None
 1.32A 3rodC-3gzdC:
undetectable		 3rodC-3gzdC:
20.56
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.
3ow2 50S RIBOSOMAL
PROTEIN L32E

(Haloarcula
marismortui) 		PF01655
(Ribosomal_L32e) 		5 LEU X 116
ASP X 113
ALA X 114
ALA X 173
SER X 110
 C  01267 ( 4.8A)
None
None
None
None
 1.46A 3rodC-3ow2X:
undetectable		 3rodC-3ow2X:
20.36
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.
4agv GALECTIN

(Cinachyrella) 		PF00337
(Gal-bind_lectin) 		5 TYR A 126
LEU A  31
ASP A  45
ALA A  46
TYR A  21
 None
 1.45A 3rodC-4agvA:
undetectable		 3rodC-4agvA:
20.50
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.
4ed9 CAIB/BAIF FAMILY
PROTEIN

(Brucella suis) 		PF02515
(CoA_transf_3) 		5 LEU A  18
ASP A 144
ASP A 173
ALA A 170
TYR A  63
 None
 1.50A 3rodC-4ed9A:
2.2		 3rodC-4ed9A:
20.15
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.
4tsh SURFACE PROTEIN
ADHESIN
SURFACE PROTEIN
ADHESIN

(Streptococcus
mutans;
Streptococcus
mutans) 		no annotation
PF16364
(Antigen_C) 		5 TYR B1131
LEU B1036
ASP B1035
ALA A 125
ALA B1034
 None
 1.49A 3rodC-4tshB:
undetectable		 3rodC-4tshB:
18.43
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.
4wy9 PUTATIVE MCP-TYPE
SIGNAL TRANSDUCTION
PROTEIN

(Campylobacter
jejuni) 		PF02743
(dCache_1) 		5 TYR A 274
ASP A 293
ASP A 291
TYR A 287
SER A 295
 None
None
None
ACT  A 401 (-4.5A)
None
 1.47A 3rodC-4wy9A:
undetectable		 3rodC-4wy9A:
24.40
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.
4xh9 NEUROEPITHELIAL
CELL-TRANSFORMING
GENE 1 PROTEIN

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		5 TYR A 424
TYR A 365
ASP A 278
ALA A 275
TYR A 364
 None
 1.40A 3rodC-4xh9A:
undetectable		 3rodC-4xh9A:
22.25
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.
5v41 POLYKETIDE SYNTHASE
PKS13 (TERMINATION
POLYKETIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF00975
(Thioesterase) 		5 TYR A1663
TYR A1674
ASP A1639
ALA A1477
ALA A1642
 J24  A1801 (-4.3A)
J24  A1801 (-3.8A)
None
None
None
 1.50A 3rodC-5v41A:
1.2		 3rodC-5v41A:
22.62
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.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 5 TYR A 703
LEU A 608
ASP A 609
ALA A 610
ALA A 603
 None
 1.48A 3rodC-6aunA:
undetectable		 3rodC-6aunA:
undetectable
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.
6b7p SDED

(Legionella
pneumophila) 		no annotation 5 TYR A 232
TYR A  78
LEU A 298
ALA A 239
ALA A  70
 None
 1.06A 3rodC-6b7pA:
undetectable		 3rodC-6b7pA:
undetectable
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.
6fdg 4-HYDROXYBENZOYL-COA
THIOESTERASE

(Staphylococcus
aureus) 		no annotation 5 ASP A  36
ALA A  33
TYR A  37
SER A   4
TYR A  92
 None
 1.45A 3rodC-6fdgA:
undetectable		 3rodC-6fdgA:
undetectable
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.
6fdg 4-HYDROXYBENZOYL-COA
THIOESTERASE

(Staphylococcus
aureus) 		no annotation 5 TYR A 133
ASP A  36
ALA A  33
TYR A  37
SER A   4
 None
 1.36A 3rodC-6fdgA:
undetectable		 3rodC-6fdgA:
undetectable