SIMILAR PATTERNS OF AMINO ACIDS FOR 2DTT_D_H4BD1006

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)
 0.71A 2dttD-1b66A:
16.2
2dttF-1b66A:
16.0		 2dttD-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.
1j3p PHOSPHOGLUCOSE
ISOMERASE

(Thermococcus
litoralis) 		PF06560
(GPI) 		5 HIS A  89
HIS A  91
HIS A 137
THR A  86
PHE A 149
 FE  A 201 (-4.1A)
FE  A 201 (-4.4A)
None
None
None
 1.19A 2dttD-1j3pA:
undetectable
2dttF-1j3pA:
undetectable		 2dttD-1j3pA:
24.21
2dttF-1j3pA:
24.21
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.
1s58 B19 PARVOVIRUS
CAPSID

(Primate
erythroparvovirus
1) 		PF00740
(Parvo_coat) 		5 HIS A 534
HIS A 536
HIS A 517
THR A 358
THR A 357
 None
 1.38A 2dttD-1s58A:
undetectable
2dttF-1s58A:
undetectable		 2dttD-1s58A:
11.19
2dttF-1s58A:
11.19
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)
 0.71A 2dttD-1y13A:
12.7
2dttF-1y13A:
12.6		 2dttD-1y13A:
22.65
2dttF-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)
 0.75A 2dttD-2a0sA:
12.3
2dttF-2a0sA:
12.3		 2dttD-2a0sA:
23.33
2dttF-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)
 0.56A 2dttD-2dj6A:
21.5
2dttF-2dj6A:
21.7		 2dttD-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.
2fqd BLUE COPPER OXIDASE
CUEO

(Escherichia
coli) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 501
HIS A 446
HIS A 499
THR A 148
GLU A 506
 C2O  A 602 (-3.4A)
C2O  A 602 (-4.0A)
C2O  A 602 (-3.3A)
None
C2O  A 602 ( 4.9A)
 1.40A 2dttD-2fqdA:
undetectable
2dttF-2fqdA:
undetectable		 2dttD-2fqdA:
13.63
2dttF-2fqdA:
13.63
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.
2g64 PUTATIVE 6-PYRUVOYL
TETRAHYDROBIOPTERIN
SYNTHASE

(Caenorhabditis
elegans) 		PF01242
(PTPS) 		6 HIS A  19
HIS A  44
HIS A  46
THR A 100
GLU A 102
GLU A 129
 ZN  A2001 (-3.3A)
ZN  A2001 ( 3.3A)
ZN  A2001 (-3.3A)
None
None
ZN  A2001 (-4.7A)
 0.73A 2dttD-2g64A:
15.5
2dttF-2g64A:
15.3		 2dttD-2g64A:
28.47
2dttF-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.
2gc1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Pyrococcus
furiosus) 		PF06560
(GPI) 		5 HIS A  88
HIS A  90
HIS A 136
THR A  85
PHE A 148
 ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.4A)
ZN  A 401 ( 3.3A)
S6P  A 502 (-3.1A)
None
 1.05A 2dttD-2gc1A:
undetectable
2dttF-2gc1A:
undetectable		 2dttD-2gc1A:
22.40
2dttF-2gc1A:
22.40
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)
 0.79A 2dttD-2obaA:
15.3
2dttF-2obaA:
15.4		 2dttD-2obaA:
32.86
2dttF-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.
2pny ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE
2

(Homo sapiens) 		PF00293
(NUDIX) 		5 HIS A  88
HIS A  51
HIS A  40
GLU A 115
ASP A  83
 MN  A 229 ( 3.2A)
MN  A 229 (-3.3A)
MN  A 229 (-3.3A)
CA  A 228 ( 2.6A)
None
 1.26A 2dttD-2pnyA:
undetectable
2dttF-2pnyA:
undetectable		 2dttD-2pnyA:
20.08
2dttF-2pnyA:
20.08
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		6 HIS A  60
HIS A 249
HIS A 217
THR A  61
THR A 124
ASP A 307
 ZN  A 501 (-3.3A)
None
ZN  A 501 (-3.5A)
None
None
None
 1.33A 2dttD-2qt3A:
undetectable
2dttF-2qt3A:
undetectable		 2dttD-2qt3A:
16.50
2dttF-2qt3A:
16.50
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.
3abg BILIRUBIN OXIDASE

(Albifimbria
verrucaria) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 458
HIS A 401
HIS A 456
THR A 141
GLU A 463
 CU  A 702 (-3.5A)
CU  A 703 (-3.4A)
CU  A 701 (-3.3A)
None
CU  A 701 ( 4.6A)
 1.40A 2dttD-3abgA:
undetectable
2dttF-3abgA:
undetectable		 2dttD-3abgA:
12.50
2dttF-3abgA:
12.50
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.
3d7j UNCHARACTERIZED
PROTEIN SCO6650

(Streptomyces
coelicolor) 		PF01242
(PTPS) 		5 HIS A  14
HIS A  28
THR A  84
GLU A  85
GLU A 120
 None
 0.87A 2dttD-3d7jA:
14.4
2dttF-3d7jA:
14.4		 2dttD-3d7jA:
24.38
2dttF-3d7jA:
24.38
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)
 0.72A 2dttD-3i2bA:
16.2
2dttF-3i2bA:
16.1		 2dttD-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.
3jyg UNCHARACTERIZED
PROTEIN

(Wolinella
succinogenes) 		PF01242
(PTPS) 		6 HIS A  15
HIS A  38
HIS A  40
THR A 138
GLU A 140
GLU A 168
 ZN  A 200 (-3.5A)
ZN  A 200 (-3.3A)
ZN  A 200 (-3.4A)
None
None
ZN  A 200 ( 4.3A)
 0.77A 2dttD-3jygA:
12.5
2dttF-3jygA:
12.5		 2dttD-3jygA:
23.08
2dttF-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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A 196
HIS A  16
HIS A 220
GLU A 199
TYR A  63
 ZN  A 327 ( 3.5A)
ZN  A 327 (-3.4A)
ADE  A 328 ( 4.2A)
ADE  A 328 (-3.0A)
ADE  A 328 (-4.0A)
 1.29A 2dttD-3paoA:
undetectable
2dttF-3paoA:
undetectable		 2dttD-3paoA:
15.79
2dttF-3paoA:
15.79
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)
 0.74A 2dttD-3qnaA:
15.6
2dttF-3qnaA:
15.7		 2dttD-3qnaA:
32.41
2dttF-3qnaA:
32.41
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)
 0.71A 2dttD-4ntmA:
15.9
2dttF-4ntmA:
16.0		 2dttD-4ntmA:
35.20
2dttF-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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		5 HIS A  56
HIS A 241
HIS A 209
THR A 116
ASP A 312
 FE2  A 502 (-3.4A)
FE2  A 502 ( 3.7A)
FE2  A 502 ( 3.4A)
None
17E  A 501 ( 4.4A)
 1.45A 2dttD-4r85A:
undetectable
2dttF-4r85A:
undetectable		 2dttD-4r85A:
14.32
2dttF-4r85A:
14.32
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.
5czw MYROILYSIN

(Myroides
profundi) 		PF01400
(Astacin) 		5 HIS A 152
HIS A 146
THR A 139
GLU A 135
GLU A 143
 ZN  A 301 ( 3.1A)
ZN  A 301 ( 3.3A)
None
MLY  A  26 ( 4.2A)
ZN  A 301 ( 4.2A)
 1.19A 2dttD-5czwA:
undetectable
2dttF-5czwA:
undetectable		 2dttD-5czwA:
16.25
2dttF-5czwA:
16.25
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.
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4

(Homo sapiens) 		no annotation 5 HIS A 393
THR A 489
GLU A 493
GLU A 439
ASP A 521
 None
 1.48A 2dttD-5nqaA:
undetectable
2dttF-5nqaA:
undetectable		 2dttD-5nqaA:
25.69
2dttF-5nqaA:
25.69
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.
5xne -

(-) 		no annotation 5 HIS B 204
HIS B 193
HIS B 191
THR B 250
GLU B 251
 ZN  B 301 (-3.3A)
ZN  B 301 (-3.4A)
ZN  B 301 (-3.5A)
None
ZN  B 301 ( 4.5A)
 1.26A 2dttD-5xneB:
undetectable
2dttF-5xneB:
undetectable		 2dttD-5xneB:
undetectable
2dttF-5xneB:
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 HIS A 526
HIS A 548
THR A 518
THR A 521
GLU A 524
 None
 1.50A 2dttD-6eoqA:
undetectable
2dttF-6eoqA:
undetectable		 2dttD-6eoqA:
20.51
2dttF-6eoqA:
20.51
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.
6evg MULTI-COPPER OXIDASE
CUEO

(Ochrobactrum) 		no annotation 5 HIS A 491
HIS A 437
HIS A 489
THR A 138
GLU A 496
 None
 1.42A 2dttD-6evgA:
undetectable
2dttF-6evgA:
undetectable		 2dttD-6evgA:
22.50
2dttF-6evgA:
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 5 HIS A 205
HIS A 301
THR A 274
GLU A 279
GLU A 262
 None
 1.43A 2dttD-6f74A:
undetectable
2dttF-6f74A:
undetectable		 2dttD-6f74A:
20.00
2dttF-6f74A:
20.00