SIMILAR PATTERNS OF AMINO ACIDS FOR 2DTT_A_H4BA1003_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) 		7 HIS A  23
HIS A  48
HIS A  50
THR A 105
THR A 106
GLU A 107
GLU A 133
 ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
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)
 0.62A 2dttA-1b66A:
16.1
2dttC-1b66A:
16.0		 2dttA-1b66A:
31.43
2dttC-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.
1slm STROMELYSIN-1

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		5 HIS A 201
HIS A 211
HIS A 205
ASP A 181
PHE A 180
 ZN  A 257 ( 3.0A)
ZN  A 257 ( 3.1A)
ZN  A 257 ( 3.2A)
CA  A 259 ( 3.3A)
None
 1.41A 2dttA-1slmA:
undetectable
2dttC-1slmA:
undetectable		 2dttA-1slmA:
17.25
2dttC-1slmA:
17.25
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.
1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE

(Plasmodium
falciparum) 		PF01242
(PTPS) 		6 HIS A  29
HIS A  41
HIS A  43
THR A 127
GLU A 128
GLU A 161
 ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.3A)
ZN  A 174 ( 3.4A)
BIO  A 175 ( 4.7A)
BIO  A 175 (-2.8A)
BIO  A 175 (-3.1A)
 0.86A 2dttA-1y13A:
13.0
2dttC-1y13A:
12.7		 2dttA-1y13A:
22.65
2dttC-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) 		6 HIS A  36
HIS A  48
HIS A  50
THR A 134
GLU A 135
GLU A 168
 ZN  A 281 ( 3.5A)
ZN  A 281 (-3.3A)
ZN  A 281 (-3.3A)
BIO  A 282 (-3.8A)
BIO  A 282 (-3.0A)
BIO  A 282 ( 2.8A)
 0.65A 2dttA-2a0sA:
12.3
2dttC-2a0sA:
12.1		 2dttA-2a0sA:
23.33
2dttC-2a0sA:
23.33
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) 		6 HIS A  15
HIS A  29
THR A  76
THR A  77
GLU A  78
GLU A 105
 HIS  A  15 ( 1.0A)
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)
 0.32A 2dttA-2dj6A:
22.2
2dttC-2dj6A:
21.8		 2dttA-2dj6A:
100.00
2dttC-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.
2g64 PUTATIVE 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Caenorhabditis
elegans) 		PF01242
(PTPS) 		5 HIS A  19
HIS A  44
HIS A  46
THR A 100
GLU A 102
 ZN  A2001 (-3.3A)
ZN  A2001 ( 3.3A)
ZN  A2001 (-3.3A)
None
None
 0.62A 2dttA-2g64A:
15.6
2dttC-2g64A:
15.4		 2dttA-2g64A:
28.47
2dttC-2g64A:
28.47
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.
2g64 PUTATIVE 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Caenorhabditis
elegans) 		PF01242
(PTPS) 		5 HIS A  19
HIS A  44
HIS A  46
THR A 100
PHE A 135
 ZN  A2001 (-3.3A)
ZN  A2001 ( 3.3A)
ZN  A2001 (-3.3A)
None
None
 1.39A 2dttA-2g64A:
15.6
2dttC-2g64A:
15.4		 2dttA-2g64A:
28.47
2dttC-2g64A:
28.47
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.
2g64 PUTATIVE 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Caenorhabditis
elegans) 		PF01242
(PTPS) 		5 HIS A  44
HIS A  46
THR A 100
GLU A 102
GLU A 129
 ZN  A2001 ( 3.3A)
ZN  A2001 (-3.3A)
None
None
ZN  A2001 (-4.7A)
 0.72A 2dttA-2g64A:
15.6
2dttC-2g64A:
15.4		 2dttA-2g64A:
28.47
2dttC-2g64A:
28.47
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.
2kfw FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 HIS A 153
THR A 143
GLU A 144
GLU A 146
ASP A   6
 None
 1.47A 2dttA-2kfwA:
undetectable
2dttC-2kfwA:
undetectable		 2dttA-2kfwA:
20.92
2dttC-2kfwA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oba PROBABLE 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Pseudomonas
aeruginosa) 		PF01242
(PTPS) 		6 HIS A  13
HIS A  28
HIS A  30
THR A  81
GLU A  83
GLU A 107
 ZN  A 200 (-3.6A)
ZN  A 200 (-3.6A)
ZN  A 200 (-3.4A)
None
None
ZN  A 200 (-3.1A)
 0.57A 2dttA-2obaA:
15.5
2dttC-2obaA:
15.4		 2dttA-2obaA:
32.86
2dttC-2obaA:
32.86
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.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 HIS A  67
HIS A 220
THR A  66
TYR A 318
ASP A 216
 ZN  A 401 (-3.3A)
FE  A 402 (-3.1A)
None
None
None
 1.25A 2dttA-2vunA:
undetectable
2dttC-2vunA:
undetectable		 2dttA-2vunA:
15.28
2dttC-2vunA:
15.28
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) 		7 HIS A  24
HIS A  49
HIS A  51
THR A 106
THR A 107
GLU A 108
GLU A 134
 NI  A 146 (-3.1A)
NI  A 146 (-3.1A)
NI  A 146 (-3.3A)
None
None
None
NI  A 146 (-3.8A)
 0.57A 2dttA-3i2bA:
16.2
2dttC-3i2bA:
16.1		 2dttA-3i2bA:
30.71
2dttC-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.
3ibm CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN

(Halorhodospira
halophila) 		PF07883
(Cupin_2) 		5 HIS A 110
HIS A  72
HIS A  76
THR A  68
THR A  67
 ZN  A 200 (-3.3A)
ZN  A 200 (-3.3A)
ZN  A 200 (-3.3A)
None
None
 1.38A 2dttA-3ibmA:
undetectable
2dttC-3ibmA:
undetectable		 2dttA-3ibmA:
20.96
2dttC-3ibmA:
20.96
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.
3io0 ETUB PROTEIN

(Clostridium
kluyveri) 		PF00936
(BMC) 		5 HIS A 195
HIS A 224
THR A 260
GLU A 262
ASP A 149
 None
 1.42A 2dttA-3io0A:
undetectable
2dttC-3io0A:
undetectable		 2dttA-3io0A:
20.49
2dttC-3io0A:
20.49
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 HIS A 176
HIS A 151
THR A  49
GLU A 113
ASP A  14
 None
 1.30A 2dttA-3ipwA:
undetectable
2dttC-3ipwA:
undetectable		 2dttA-3ipwA:
20.33
2dttC-3ipwA:
20.33
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.
3jyg UNCHARACTERIZED
PROTEIN

(Wolinella
succinogenes) 		PF01242
(PTPS) 		5 HIS A  15
HIS A  38
HIS A  40
THR A 138
GLU A 140
 ZN  A 200 (-3.5A)
ZN  A 200 (-3.3A)
ZN  A 200 (-3.4A)
None
None
 0.70A 2dttA-3jygA:
12.2
2dttC-3jygA:
12.4		 2dttA-3jygA:
23.08
2dttC-3jygA:
23.08
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.
3jyg UNCHARACTERIZED
PROTEIN

(Wolinella
succinogenes) 		PF01242
(PTPS) 		5 HIS A  38
HIS A  40
THR A 138
GLU A 140
GLU A 168
 ZN  A 200 (-3.3A)
ZN  A 200 (-3.4A)
None
None
ZN  A 200 ( 4.3A)
 0.84A 2dttA-3jygA:
12.2
2dttC-3jygA:
12.4		 2dttA-3jygA:
23.08
2dttC-3jygA:
23.08
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.
3o2x COLLAGENASE 3

(Homo sapiens) 		PF00413
(Peptidase_M10) 		5 HIS A1222
HIS A1232
HIS A1226
ASP A1202
PHE A1201
 ZN  A1999 ( 3.2A)
ZN  A1999 ( 3.2A)
ZN  A1999 ( 3.4A)
CA  A1997 (-3.2A)
None
 1.39A 2dttA-3o2xA:
undetectable
2dttC-3o2xA:
undetectable		 2dttA-3o2xA:
20.23
2dttC-3o2xA:
20.23
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 THR A 520
THR A 519
GLU A 349
ASP A 345
PHE A 362
 None
 1.36A 2dttA-3ppcA:
undetectable
2dttC-3ppcA:
undetectable		 2dttA-3ppcA:
9.43
2dttC-3ppcA:
9.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qna 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		6 HIS A  15
HIS A  30
HIS A  32
THR A  83
GLU A  85
GLU A 109
 ZN  A 122 ( 3.3A)
ZN  A 122 ( 3.2A)
ZN  A 122 ( 3.2A)
BIO  A 121 (-4.2A)
BIO  A 121 (-2.9A)
BIO  A 121 (-2.8A)
 0.59A 2dttA-3qnaA:
15.8
2dttC-3qnaA:
15.7		 2dttA-3qnaA:
32.41
2dttC-3qnaA:
32.41
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.
3s0m OXALATE
DECARBOXYLASE OXDC

(Bacillus
subtilis) 		PF00190
(Cupin_1) 		5 HIS A 319
HIS A 273
HIS A 275
GLU A 280
TYR A 284
 MN  A 501 (-3.4A)
MN  A 501 (-3.5A)
MN  A 501 (-3.4A)
MN  A 501 (-2.5A)
None
 1.08A 2dttA-3s0mA:
undetectable
2dttC-3s0mA:
undetectable		 2dttA-3s0mA:
16.44
2dttC-3s0mA:
16.44
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.
3s0m OXALATE
DECARBOXYLASE OXDC

(Bacillus
subtilis) 		PF00190
(Cupin_1) 		5 HIS A 319
HIS A 273
HIS A 275
GLU A 280
TYR A 305
 MN  A 501 (-3.4A)
MN  A 501 (-3.5A)
MN  A 501 (-3.4A)
MN  A 501 (-2.5A)
None
 1.48A 2dttA-3s0mA:
undetectable
2dttC-3s0mA:
undetectable		 2dttA-3s0mA:
16.44
2dttC-3s0mA:
16.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ntm 6-CARBOXY-5,6,7,8-TE
TRAHYDROPTERIN
SYNTHASE

(Escherichia
coli) 		PF01242
(PTPS) 		6 HIS A  16
HIS A  31
HIS A  33
THR A  84
GLU A  86
GLU A 110
 ZN  A 201 ( 3.3A)
ZN  A 201 ( 3.2A)
ZN  A 201 ( 3.2A)
2K8  A 202 (-4.6A)
2K8  A 202 (-3.3A)
2K8  A 202 (-2.7A)
 0.61A 2dttA-4ntmA:
16.1
2dttC-4ntmA:
16.0		 2dttA-4ntmA:
35.20
2dttC-4ntmA:
35.20
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.
6d0p PIRIN FAMILY PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 HIS A  61
HIS A  63
HIS A 105
GLU A 107
PHE A  20
 MN  A 303 ( 3.3A)
MN  A 303 (-3.4A)
MN  A 303 (-3.4A)
MN  A 303 ( 2.9A)
PEG  A 304 ( 4.2A)
 1.29A 2dttA-6d0pA:
undetectable
2dttC-6d0pA:
undetectable		 2dttA-6d0pA:
19.13
2dttC-6d0pA:
19.13
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 HIS A 205
HIS A 301
THR A 274
GLU A 279
GLU A 262
 None
 1.35A 2dttA-6f74A:
undetectable
2dttC-6f74A:
undetectable		 2dttA-6f74A:
20.00
2dttC-6f74A:
20.00