SIMILAR PATTERNS OF AMINO ACIDS FOR 2D06_A_ESTA304_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
LYS A  48
LYS A 106
HIS A 108
MET A 248
 None
VO4  A 302 (-4.2A)
A3P  A 301 ( 2.9A)
VO4  A 302 (-3.0A)
VO4  A 302 (-3.9A)
None
 0.67A 2d06A-1bo6A:
40.5		 2d06A-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 PHE A  24
PRO A  47
LYS A 106
HIS A 108
PHE A 142
MET A 248
 None
VO4  A 302 (-4.2A)
VO4  A 302 (-3.0A)
VO4  A 302 (-3.9A)
VO4  A 302 ( 4.6A)
None
 0.88A 2d06A-1bo6A:
40.5		 2d06A-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  47
LYS A 105
HIS A 107
PHE A 141
MET A 247
 PCQ  A 712 ( 4.6A)
PCQ  A 712 ( 4.3A)
A3P  A 701 (-2.7A)
PCQ  A 712 (-3.0A)
PCQ  A 712 (-3.9A)
PCQ  A 712 (-4.7A)
None
 0.62A 2d06A-1g3mA:
43.3		 2d06A-1g3mA:
50.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qp4 BILE SALT
SULFOTRANSFERASE

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 PHE A  18
PRO A  43
LYS A  44
HIS A  99
PHE A 133
 AOX  A 286 ( 4.9A)
AOX  A 286 ( 4.4A)
AOX  A 286 (-3.9A)
AOX  A 286 (-3.7A)
AOX  A 286 ( 4.4A)
 0.87A 2d06A-2qp4A:
33.6		 2d06A-2qp4A:
34.68
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
LYS A  56
HIS A 117
PHE A 151
ALA A 155
MET A 257
 None
A3P  A 401 (-2.8A)
None
None
None
None
 0.66A 2d06A-2reoA:
32.0		 2d06A-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
LYS X  48
HIS X 108
MET X 145
 NPO  X1601 (-4.4A)
PPS  X1501 (-4.3A)
PPS  X1501 (-2.8A)
NPO  X1601 ( 3.7A)
None
 0.94A 2d06A-2zyvX:
45.4		 2d06A-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
LYS X  48
HIS X 108
PHE X 142
MET X 248
 NPO  X1601 (-4.4A)
PPS  X1501 (-4.3A)
PPS  X1501 (-2.8A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
None
 1.02A 2d06A-2zyvX:
45.4		 2d06A-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
LYS X  48
HIS X 108
PHE X 142
PHE X   8
 NPO  X1601 (-4.4A)
PPS  X1501 (-4.3A)
PPS  X1501 (-2.8A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
None
 1.30A 2d06A-2zyvX:
45.4		 2d06A-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 PRO X  47
LYS X  48
HIS X 108
PHE X 142
ALA X 146
PHE X   8
 PPS  X1501 (-4.3A)
PPS  X1501 (-2.8A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
NPO  X1601 ( 4.1A)
None
 1.27A 2d06A-2zyvX:
45.4		 2d06A-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 PRO X  47
LYS X  48
LYS X 106
HIS X 108
ALA X 146
MET X 145
 PPS  X1501 (-4.3A)
PPS  X1501 (-2.8A)
NPO  X1601 ( 2.8A)
NPO  X1601 ( 3.7A)
NPO  X1601 ( 4.1A)
None
 1.48A 2d06A-2zyvX:
45.4		 2d06A-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  48
LYS X 106
HIS X 108
PHE X 142
ALA X 146
MET X 248
 PPS  X1501 (-4.3A)
PPS  X1501 (-2.8A)
NPO  X1601 ( 2.8A)
NPO  X1601 ( 3.7A)
PPS  X1501 ( 4.1A)
NPO  X1601 ( 4.1A)
None
 0.39A 2d06A-2zyvX:
45.4		 2d06A-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.
3cdl TRANSCRIPTIONAL
REGULATOR AEFR

(Pseudomonas
syringae group
genomosp. 3) 		PF00440
(TetR_N)
PF14246
(TetR_C_7) 		5 LYS A  90
LYS A 128
HIS A 157
ALA A 103
VAL A 107
 None
 1.35A 2d06A-3cdlA:
undetectable		 2d06A-3cdlA:
21.16
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) 		6 PHE A  24
PRO A  47
LYS A  48
LYS A 107
HIS A 109
MET A 146
 STL  A 501 (-4.5A)
STL  A 501 ( 4.5A)
A3P  A 601 (-2.7A)
A3P  A 601 ( 4.8A)
STL  A 501 (-3.8A)
None
 1.19A 2d06A-3cklA:
45.3		 2d06A-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  48
LYS A 107
HIS A 109
PHE A 143
MET A 249
 STL  A 501 (-4.5A)
STL  A 501 ( 4.5A)
A3P  A 601 (-2.7A)
A3P  A 601 ( 4.8A)
STL  A 501 (-3.8A)
STL  A 501 (-4.6A)
None
 0.51A 2d06A-3cklA:
45.3		 2d06A-3cklA:
53.38
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) 		8 PHE A  24
PRO A  47
LYS A  48
LYS A 106
HIS A 108
ALA A 146
VAL A 148
MET A 145
 None
None
A3P  A2001 (-3.1A)
NPO  A 296 (-3.0A)
NPO  A 296 (-3.7A)
NPO  A 296 ( 4.0A)
NPO  A 296 (-4.7A)
None
 1.34A 2d06A-3qvuA:
48.8		 2d06A-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  48
LYS A 106
HIS A 108
PHE A 142
ALA A 146
VAL A 148
MET A 248
 None
None
A3P  A2001 (-3.1A)
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)
NPO  A 296 ( 4.3A)
 0.42A 2d06A-3qvuA:
48.8		 2d06A-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) 		5 PHE A  84
LYS A  48
ALA A 146
VAL A 148
MET A 145
 None
A3P  A2001 (-3.1A)
NPO  A 296 ( 4.0A)
NPO  A 296 (-4.7A)
None
 1.33A 2d06A-3qvuA:
48.8		 2d06A-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) 		5 PHE A  84
LYS A  48
PHE A 142
ALA A 146
VAL A 148
 None
A3P  A2001 (-3.1A)
NPO  A 296 (-4.8A)
NPO  A 296 ( 4.0A)
NPO  A 296 (-4.7A)
 1.08A 2d06A-3qvuA:
48.8		 2d06A-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.
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
 1.28A 2d06A-4jbhA:
0.0		 2d06A-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.
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 2d06A-4ngeD:
undetectable		 2d06A-4ngeD:
15.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mek CYTOSOLIC
SULFOTRANSFERASE 18

(Arabidopsis
thaliana) 		PF00685
(Sulfotransfer_1) 		5 PRO A  92
LYS A  93
HIS A 155
PHE A 189
VAL A 305
 EDO  A 410 (-4.1A)
A3P  A 401 ( 2.8A)
EDO  A 410 ( 4.2A)
None
EDO  A 423 (-4.0A)
 1.11A 2d06A-5mekA:
29.7		 2d06A-5mekA:
32.14