SIMILAR PATTERNS OF AMINO ACIDS FOR 2DTT_B_H4BB1001

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  48
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)
 0.70A 2dttA-1b66A:
16.1
2dttB-1b66A:
15.5		 2dttA-1b66A:
31.43
2dttB-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
 1.20A 2dttA-1csmA:
0.0
2dttB-1csmA:
0.0		 2dttA-1csmA:
20.31
2dttB-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.
1nmy SIMILAR TO
THYMIDYLATE KINASE
(DTMP KINASE)

(Homo sapiens) 		PF02223
(Thymidylate_kin) 		5 GLU A 196
HIS A  35
THR A 201
THR A 203
GLU A 204
 None
 1.13A 2dttA-1nmyA:
0.0
2dttB-1nmyA:
0.0		 2dttA-1nmyA:
19.52
2dttB-1nmyA:
19.52
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ILE A 285
TYR A 425
ASP A 291
HIS A 536
THR A 428
 None
 1.39A 2dttA-1rw9A:
0.0
2dttB-1rw9A:
1.4		 2dttA-1rw9A:
9.38
2dttB-1rw9A:
9.38
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.
1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Plasmodium
falciparum) 		PF01242
(PTPS) 		5 GLU A  38
HIS A  41
THR A 127
GLU A 128
GLU A 161
 BIO  A 175 (-2.6A)
ZN  A 174 ( 3.3A)
BIO  A 175 ( 4.7A)
BIO  A 175 (-2.8A)
BIO  A 175 (-3.1A)
 0.84A 2dttA-1y13A:
13.0
2dttB-1y13A:
14.0		 2dttA-1y13A:
22.65
2dttB-1y13A:
22.65
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.
2a0s 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Plasmodium
vivax) 		PF01242
(PTPS) 		5 GLU A  45
HIS A  48
THR A 134
GLU A 135
GLU A 168
 BIO  A 282 (-3.1A)
ZN  A 281 (-3.3A)
BIO  A 282 (-3.8A)
BIO  A 282 (-3.0A)
BIO  A 282 ( 2.8A)
 0.75A 2dttA-2a0sA:
12.3
2dttB-2a0sA:
13.4		 2dttA-2a0sA:
23.33
2dttB-2a0sA:
23.33
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.
3g5a FMN
ADENYLYLTRANSFERASE

([Candida]
glabrata) 		PF01507
(PAPS_reduct) 		5 ILE A 121
PHE A 107
GLU A 141
THR A 113
GLU A 118
 None
APC  A 305 (-4.9A)
None
None
None
 1.31A 2dttA-3g5aA:
0.0
2dttB-3g5aA:
0.0		 2dttA-3g5aA:
17.39
2dttB-3g5aA:
17.39
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  49
THR A 106
THR A 107
GLU A 108
GLU A 134
 NI  A 146 (-3.1A)
None
None
None
NI  A 146 (-3.8A)
 0.65A 2dttA-3i2bA:
16.2
2dttB-3i2bA:
15.6		 2dttA-3i2bA:
30.71
2dttB-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.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ILE A  62
TYR A  63
GLU A   9
THR A  55
THR A  56
 None
 1.37A 2dttA-3o4fA:
1.1
2dttB-3o4fA:
0.6		 2dttA-3o4fA:
14.58
2dttB-3o4fA:
14.58
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.
3oka GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-6)-PHOSPHAT
IDYLINOSITOL
MONOMANNOSIDE
MANNOSYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 PHE A 155
GLU A 316
HIS A 167
THR A 117
GLU A 121
 None
 1.44A 2dttA-3okaA:
undetectable
2dttB-3okaA:
undetectable		 2dttA-3okaA:
16.53
2dttB-3okaA:
16.53
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.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		5 ILE A 501
ASP A 503
GLU A 227
HIS A 407
THR A 561
 None
 1.32A 2dttA-4hzhA:
undetectable
2dttB-4hzhA:
undetectable		 2dttA-4hzhA:
13.38
2dttB-4hzhA:
13.38