SIMILAR PATTERNS OF AMINO ACIDS FOR 3NNE_A_ACTA601_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.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE

(Arthrobacter
sp.) 		PF00857
(Isochorismatase) 		4 ILE A 133
HIS A  49
VAL A  89
ASN A  79
 None
 1.09A 3nneA-1nbaA:
0.0		 3nneA-1nbaA:
20.66
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.
2gwn DIHYDROOROTASE

(Porphyromonas
gingivalis) 		PF01979
(Amidohydro_1) 		4 ILE A 377
VAL A 358
HIS A 363
ASN A  12
 None
 1.27A 3nneA-2gwnA:
0.0		 3nneA-2gwnA:
20.70
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.
2j7a CYTOCHROME C NITRITE
REDUCTASE NRFA

(Desulfovibrio
vulgaris) 		PF02335
(Cytochrom_C552) 		4 ILE A 480
HIS A 497
VAL A 477
ASN A 104
 None
 1.26A 3nneA-2j7aA:
0.0		 3nneA-2j7aA:
19.86
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.
3a9x SELENOCYSTEINE LYASE

(Rattus
norvegicus) 		PF00266
(Aminotran_5) 		4 ILE A 136
HIS A 219
VAL A  94
ASN A  91
 None
None
None
PLP  A 501 (-4.5A)
 0.92A 3nneA-3a9xA:
0.0		 3nneA-3a9xA:
23.24
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.
3cv3 GLUCURONOSYLTRANSFER
ASE GUMK

(Xanthomonas
campestris) 		no annotation 4 ILE A  36
VAL A 185
HIS A 204
ASN A  32
 None
 1.14A 3nneA-3cv3A:
2.4		 3nneA-3cv3A:
22.50
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.
3g7n LIPASE

(Penicillium
expansum) 		PF01764
(Lipase_3) 		4 ILE A 111
HIS A 107
VAL A  87
ASN A 148
 None
 1.48A 3nneA-3g7nA:
0.9		 3nneA-3g7nA:
18.88
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 ILE A 378
HIS A 368
HIS A 335
ASN A 336
 None
 1.12A 3nneA-3glqA:
0.0		 3nneA-3glqA:
23.40
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.
3gzd SELENOCYSTEINE LYASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 ILE C 148
HIS C 231
VAL C 106
ASN C 103
 None
None
None
PLR  C 500 ( 4.6A)
 0.92A 3nneA-3gzdC:
0.0		 3nneA-3gzdC:
24.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 ILE A 103
HIS A 351
HIS A 466
ASN A 510
 FDA  A 547 (-3.5A)
None
FDA  A 547 ( 4.6A)
FDA  A 547 (-4.6A)
 0.19A 3nneA-3ljpA:
67.5		 3nneA-3ljpA:
99.63
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.
3wkq NITRITE REDUCTASE

(Geobacillus
thermodenitrificans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ILE A  49
HIS A  21
VAL A  93
HIS A  95
 None
FMT  A 412 (-3.7A)
None
CU  A 401 (-3.1A)
 1.48A 3nneA-3wkqA:
undetectable		 3nneA-3wkqA:
19.78
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.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		4 ILE A  94
HIS A 158
VAL A 154
HIS A  86
 None
 1.21A 3nneA-4acoA:
undetectable		 3nneA-4acoA:
18.05
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.
4b8w GDP-L-FUCOSE
SYNTHASE

(Homo sapiens) 		PF01370
(Epimerase) 		4 ILE A 150
HIS A  68
VAL A  97
ASN A  94
 None
 0.98A 3nneA-4b8wA:
0.4		 3nneA-4b8wA:
19.56
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.
4dix PLECTIN-RELATED
PROTEIN

(Arabidopsis
thaliana) 		PF16709
(SCAB-IgPH) 		4 ILE A 420
HIS A 402
VAL A 388
HIS A 396
 None
 1.47A 3nneA-4dixA:
undetectable		 3nneA-4dixA:
17.80
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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans) 		PF00871
(Acetate_kinase) 		4 ILE A 146
HIS A 152
VAL A  97
HIS A  99
 None
 1.34A 3nneA-4h0pA:
undetectable		 3nneA-4h0pA:
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.
4pl0 MICROCIN-J25 EXPORT
ATP-BINDING/PERMEASE
PROTEIN MCJD

(Escherichia
coli) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ILE A 289
HIS A 285
VAL A 281
ASN A 272
 None
 1.31A 3nneA-4pl0A:
undetectable		 3nneA-4pl0A:
20.90
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.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		4 ILE A 215
HIS A 238
VAL A 200
HIS A 184
 None
None
None
BVP  A1001 (-4.7A)
 1.44A 3nneA-4xscA:
undetectable		 3nneA-4xscA:
20.40
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.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		4 ILE B  11
HIS B 311
VAL B 289
ASN B 308
 FAD  B 401 (-4.0A)
None
None
None
 1.28A 3nneA-4yjfB:
10.8		 3nneA-4yjfB:
21.78
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.
4zxc HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Pseudomonas sp.
WBC-3) 		no annotation 4 ILE W  61
HIS W  59
VAL W  88
HIS W  87
 None
 1.38A 3nneA-4zxcW:
undetectable		 3nneA-4zxcW:
22.46
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.
5fud O-ACETYL-ADP-RIBOSE
DEACETYLASE

(Oceanobacillus
iheyensis) 		PF01661
(Macro) 		4 ILE A  43
HIS A  44
HIS A  88
ASN A  27
 None
 1.03A 3nneA-5fudA:
undetectable		 3nneA-5fudA:
16.39
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 ILE A 526
HIS A 539
VAL A 507
ASN A 523
 None
 1.32A 3nneA-5h1kA:
undetectable		 3nneA-5h1kA:
21.67
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.
5m22 HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 4 ILE B  60
HIS B  58
VAL B  87
HIS B  86
 None
 1.34A 3nneA-5m22B:
undetectable		 3nneA-5m22B:
23.27
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.
5o82 INTRACELLULAR
EXO-ALPHA-(1->5)-L-A
RABINOFURANOSIDASE

(Chaetomium
thermophilum) 		no annotation 4 ILE A 107
HIS A 163
VAL A 159
ASN A 108
 None
 1.36A 3nneA-5o82A:
0.0		 3nneA-5o82A:
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		4 ILE A 108
HIS A 111
VAL A 149
HIS A 150
 None
None
None
MN  A 801 (-2.9A)
 1.34A 3nneA-5svcA:
undetectable		 3nneA-5svcA:
20.94
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.
5v36 GLUTATHIONE
REDUCTASE

(Streptococcus
mutans) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A  92
HIS A  96
VAL A  38
ASN A  44
 None
 1.49A 3nneA-5v36A:
10.8		 3nneA-5v36A:
25.04
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.
6flm E3 UBIQUITIN/ISG15
LIGASE TRIM25

(Homo sapiens) 		no annotation 4 ILE A 511
HIS A 585
VAL A 440
ASN A 582
 None
 1.39A 3nneA-6flmA:
undetectable		 3nneA-6flmA:
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.
6gsa -

(-) 		no annotation 4 ILE E  94
HIS E 158
VAL E 154
HIS E  86
 None
 1.21A 3nneA-6gsaE:
undetectable		 3nneA-6gsaE:
undetectable