SIMILAR PATTERNS OF AMINO ACIDS FOR 2DTT_F_H4BF1005_1

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.
1b66 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Rattus rattus) 		PF01242
(PTPS) 		5 HIS A  50
THR A 105
THR A 106
GLU A 107
GLU A 133
 ZN  A 401 ( 3.4A)
BIO  A 700 (-4.3A)
BIO  A 700 (-3.7A)
BIO  A 700 (-3.0A)
BIO  A 700 ( 2.7A)
 0.54A 2dttE-1b66A:
15.5
2dttF-1b66A:
16.0		 2dttE-1b66A:
31.43
2dttF-1b66A:
31.43
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.
1csm CHORISMATE MUTASE

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 117
ASP A 115
PHE A  85
THR A  83
GLU A  68
 None
 1.26A 2dttE-1csmA:
0.0
2dttF-1csmA:
0.0		 2dttE-1csmA:
20.31
2dttF-1csmA:
20.31
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.
1ogo DEXTRANASE

(Talaromyces
minioluteus) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		5 ILE X  91
PHE X 171
HIS X 442
THR X 191
GLU X 189
 None
 1.34A 2dttE-1ogoX:
0.0
2dttF-1ogoX:
0.0		 2dttE-1ogoX:
10.51
2dttF-1ogoX:
10.51
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.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 ILE A 320
TYR A 312
ASP A 313
PHE A 318
THR A 268
 None
 1.29A 2dttE-1wnoA:
0.0
2dttF-1wnoA:
0.0		 2dttE-1wnoA:
14.90
2dttF-1wnoA:
14.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dj6 HYPOTHETICAL PROTEIN
PH0634

(Pyrococcus
horikoshii) 		PF01242
(PTPS) 		5 HIS A  29
THR A  76
THR A  77
GLU A  78
GLU A 105
 HIS  A  29 ( 1.0A)
THR  A  76 ( 0.8A)
THR  A  77 ( 0.8A)
GLU  A  78 ( 0.5A)
GLU  A 105 ( 0.6A)
 0.52A 2dttE-2dj6A:
20.6
2dttF-2dj6A:
21.7		 2dttE-2dj6A:
100.00
2dttF-2dj6A:
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.
2xla SLL1785 PROTEIN

(Synechocystis
sp. PCC 6803) 		no annotation 5 ILE A  91
TYR A 213
PHE A  89
THR A  83
GLU A  87
 None
None
None
URE  A1299 ( 4.8A)
URE  A1299 (-2.6A)
 1.46A 2dttE-2xlaA:
0.0
2dttF-2xlaA:
0.0		 2dttE-2xlaA:
20.17
2dttF-2xlaA:
20.17
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 HIS A 204
THR A 114
THR A 115
GLU A 116
GLU A 207
 None
 1.01A 2dttE-3bxoA:
0.0
2dttF-3bxoA:
1.8		 2dttE-3bxoA:
18.22
2dttF-3bxoA:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i2b 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Homo sapiens) 		PF01242
(PTPS) 		5 HIS A  51
THR A 106
THR A 107
GLU A 108
GLU A 134
 NI  A 146 (-3.3A)
None
None
None
NI  A 146 (-3.8A)
 0.48A 2dttE-3i2bA:
15.6
2dttF-3i2bA:
16.1		 2dttE-3i2bA:
30.71
2dttF-3i2bA:
30.71
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.
3sr7 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Streptococcus
mutans) 		PF01070
(FMN_dh) 		5 ILE A  25
ASP A  23
PHE A  22
THR A 230
THR A 231
 None
 1.23A 2dttE-3sr7A:
0.0
2dttF-3sr7A:
0.0		 2dttE-3sr7A:
14.09
2dttF-3sr7A:
14.09
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ILE A 357
ASP A 376
PHE A 377
THR A 371
THR A 315
 None
 1.49A 2dttE-4gfhA:
undetectable
2dttF-4gfhA:
undetectable		 2dttE-4gfhA:
7.71
2dttF-4gfhA:
7.71
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		5 ILE A 226
PHE A 281
HIS A 277
THR A 274
THR A 272
 None
 1.49A 2dttE-4r3uA:
undetectable
2dttF-4r3uA:
undetectable		 2dttE-4r3uA:
10.27
2dttF-4r3uA:
10.27
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.
4s3m 2-DEHYDROPANTOATE
2-REDUCTASE

(Staphylococcus
aureus) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ILE A  66
ASP A  64
PHE A  63
THR A  28
THR A  29
 None
 1.13A 2dttE-4s3mA:
undetectable
2dttF-4s3mA:
0.6		 2dttE-4s3mA:
17.29
2dttF-4s3mA:
17.29
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 ILE A 420
ASP A 416
HIS A 113
THR A 436
GLU A 442
 None
None
None
FAD  A 501 (-4.0A)
None
 1.46A 2dttE-5hxwA:
undetectable
2dttF-5hxwA:
undetectable		 2dttE-5hxwA:
14.54
2dttF-5hxwA:
14.54
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.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 ILE A 420
ASP A 416
HIS A 113
THR A 436
GLU A 442
 None
None
None
FAD  A 501 (-3.9A)
None
 1.44A 2dttE-5i39A:
undetectable
2dttF-5i39A:
undetectable		 2dttE-5i39A:
15.69
2dttF-5i39A:
15.69