SIMILAR PATTERNS OF AMINO ACIDS FOR 2D06_B_ESTB305_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.
1bo6 ESTROGEN
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		6 PHE A  24
PRO A  47
HIS A 108
PHE A 142
TYR A 240
MET A 248
 None
VO4  A 302 (-4.2A)
VO4  A 302 (-3.9A)
VO4  A 302 ( 4.6A)
None
None
 0.87A 2d06B-1bo6A:
40.4		 2d06B-1bo6A:
49.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bo6 ESTROGEN
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		6 PRO A  47
LYS A 106
HIS A 108
PHE A 142
TYR A 240
MET A 248
 VO4  A 302 (-4.2A)
VO4  A 302 (-3.0A)
VO4  A 302 (-3.9A)
VO4  A 302 ( 4.6A)
None
None
 0.81A 2d06B-1bo6A:
40.4		 2d06B-1bo6A:
49.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1g3m ESTROGEN
SULFOTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		7 PHE A  23
PRO A  46
LYS A 105
HIS A 107
PHE A 141
TYR A 239
MET A 247
 PCQ  A 712 ( 4.6A)
PCQ  A 712 ( 4.3A)
PCQ  A 712 (-3.0A)
PCQ  A 712 (-3.9A)
PCQ  A 712 (-4.7A)
PCQ  A 712 ( 4.6A)
None
 0.62A 2d06B-1g3mA:
43.1		 2d06B-1g3mA:
50.17
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.
1i3s EARLY 35 KDA PROTEIN

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF02331
(P35) 		5 PHE A  47
ALA A 151
VAL A 103
TYR A 171
PHE A  96
 None
 1.48A 2d06B-1i3sA:
0.0		 2d06B-1i3sA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2reo PUTATIVE
SULFOTRANSFERASE 1C3

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		6 PRO A  55
HIS A 117
PHE A 151
ALA A 155
TYR A 249
MET A 257
 None
 0.60A 2d06B-2reoA:
31.8		 2d06B-2reoA:
51.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		5 PHE X  21
PRO X  47
HIS X 108
PHE X 142
PHE X   8
 NPO  X1601 (-4.4A)
PPS  X1501 (-4.3A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
None
 1.37A 2d06B-2zyvX:
45.4		 2d06B-2zyvX:
58.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		6 PHE X  21
PRO X  47
HIS X 108
PHE X 142
TYR X 240
MET X 248
 NPO  X1601 (-4.4A)
PPS  X1501 (-4.3A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
None
None
 1.03A 2d06B-2zyvX:
45.4		 2d06B-2zyvX:
58.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		5 PRO X  47
HIS X 108
PHE X 142
ALA X 146
PHE X   8
 PPS  X1501 (-4.3A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
NPO  X1601 ( 4.1A)
None
 1.32A 2d06B-2zyvX:
45.4		 2d06B-2zyvX:
58.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zyv TYROSINE-ESTER
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		7 PRO X  47
LYS X 106
HIS X 108
PHE X 142
ALA X 146
TYR X 240
MET X 248
 PPS  X1501 (-4.3A)
NPO  X1601 ( 2.8A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
NPO  X1601 ( 4.1A)
None
None
 0.42A 2d06B-2zyvX:
45.4		 2d06B-2zyvX:
58.98
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.
3cjy PUTATIVE
THIOESTERASE

(Novosphingobium
aromaticivorans) 		PF13622
(4HBT_3) 		5 PRO A   6
PHE A   5
ALA A 178
PHE A 183
MET A 182
 None
 1.37A 2d06B-3cjyA:
undetectable		 2d06B-3cjyA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckl SULFOTRANSFERASE
FAMILY CYTOSOLIC 1B
MEMBER 1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 PHE A  24
PRO A  47
LYS A 107
HIS A 109
MET A 146
 STL  A 501 (-4.5A)
STL  A 501 ( 4.5A)
A3P  A 601 ( 4.8A)
STL  A 501 (-3.8A)
None
 1.04A 2d06B-3cklA:
45.3		 2d06B-3cklA:
53.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ckl SULFOTRANSFERASE
FAMILY CYTOSOLIC 1B
MEMBER 1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		7 PHE A  24
PRO A  47
LYS A 107
HIS A 109
PHE A 143
TYR A 241
MET A 249
 STL  A 501 (-4.5A)
STL  A 501 ( 4.5A)
A3P  A 601 ( 4.8A)
STL  A 501 (-3.8A)
STL  A 501 (-4.6A)
None
None
 0.54A 2d06B-3cklA:
45.3		 2d06B-3cklA:
53.38
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.
3mwb PREPHENATE
DEHYDRATASE

(Paenarthrobacter
aurescens) 		PF00800
(PDT)
PF01842
(ACT) 		5 PHE A 220
PHE A 273
ALA A 252
VAL A 257
TYR A 277
 None
 1.30A 2d06B-3mwbA:
0.0		 2d06B-3mwbA:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qvu SULFOTRANSFERASE 1A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		7 PHE A  24
PRO A  47
LYS A 106
HIS A 108
ALA A 146
VAL A 148
MET A 145
 None
None
NPO  A 296 (-3.0A)
NPO  A 296 (-3.7A)
NPO  A 296 ( 4.0A)
NPO  A 296 (-4.7A)
None
 1.43A 2d06B-3qvuA:
48.9		 2d06B-3qvuA:
97.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qvu SULFOTRANSFERASE 1A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		9 PHE A  24
PRO A  47
LYS A 106
HIS A 108
PHE A 142
ALA A 146
VAL A 148
TYR A 240
MET A 248
 None
None
NPO  A 296 (-3.0A)
NPO  A 296 (-3.7A)
NPO  A 296 (-4.8A)
NPO  A 296 ( 4.0A)
NPO  A 296 (-4.7A)
None
NPO  A 296 ( 4.3A)
 0.39A 2d06B-3qvuA:
48.9		 2d06B-3qvuA:
97.97
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.
4jb7 ACCESSORY
COLONIZATION FACTOR
ACFC

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 PHE A 102
PRO A  37
VAL A 222
TYR A 238
PHE A 236
 None
 1.42A 2d06B-4jb7A:
undetectable		 2d06B-4jb7A:
21.36
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.
4jbh ALCOHOL
DEHYDROGENASE (ZINC)

(Pyrobaculum
aerophilum) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PRO A  54
HIS A  57
ALA A  19
VAL A  17
MET A   1
 None
 1.40A 2d06B-4jbhA:
undetectable		 2d06B-4jbhA:
21.15
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		5 HIS A 308
VAL A 333
TYR A 357
PHE A 376
MET A 373
 None
None
UNL  A 601 ( 4.6A)
None
None
 1.49A 2d06B-4n0rA:
undetectable		 2d06B-4n0rA:
20.54
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 PHE D  92
PRO D 170
HIS D 254
PHE D 169
ALA D 284
 None
None
None
MLY  D 287 ( 4.5A)
None
 1.36A 2d06B-4ngeD:
undetectable		 2d06B-4ngeD:
15.63
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.
4zem TRANSLATION
INITIATION FACTOR
EIF2B-LIKE
PROTEIN,TRANSLATION
INITIATION FACTOR
EIF2B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01008
(IF-2B) 		5 PRO A 341
ALA A 298
VAL A 309
TYR A 386
PHE A 296
 None
 1.19A 2d06B-4zemA:
1.7		 2d06B-4zemA:
20.20
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		5 PRO C 352
HIS C 351
ALA C  95
TYR C 285
MET C  98
 None
 1.39A 2d06B-5aa5C:
undetectable		 2d06B-5aa5C:
19.69
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.
5cyl FIMBRIAL SUBUNIT
CUPB6

(Pseudomonas
aeruginosa) 		PF00419
(Fimbrial) 		5 PHE A 240
PHE A 297
ALA A 337
VAL A 353
PHE A 339
 None
 1.30A 2d06B-5cylA:
undetectable		 2d06B-5cylA:
21.35
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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 HIS A 159
ALA A 401
VAL A 381
TYR A 114
PHE A 394
 MN  A 805 (-3.4A)
None
None
None
None
 1.20A 2d06B-5f56A:
undetectable		 2d06B-5f56A:
17.78
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.
5vyq UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF00551
(Formyl_trans_N) 		5 PHE A 196
HIS A 195
ALA A 211
VAL A 223
PHE A 213
 None
 1.20A 2d06B-5vyqA:
undetectable		 2d06B-5vyqA:
19.09