SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3HB'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
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.
1DVX_B_DIFB125_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 7 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 1.03A 1dvxA-5hpiA:
undetectable		 1dvxA-5hpiA:
19.89
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.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 7 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 1.02A 1dvxB-5hpiA:
undetectable		 1dvxB-5hpiA:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 2dkh 3-HYDROXYBENZOATE
HYDROXYLASE
(Comamonas
testosteroni) 		5 / 10 ASP A  75
GLY A  76
ILE A 260
ARG A 269
TYR A 271
 3HB  A 641 (-2.8A)
3HB  A 641 (-3.3A)
3HB  A 641 (-4.2A)
FAD  A 640 (-3.8A)
3HB  A 641 ( 4.0A)
 0.31A 1fohA-2dkhA:
38.4		 1fohA-2dkhA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 2dkh 3-HYDROXYBENZOATE
HYDROXYLASE
(Comamonas
testosteroni) 		5 / 10 ASP A  75
GLY A  76
ILE A 260
ARG A 269
TYR A 271
 3HB  A 641 (-2.8A)
3HB  A 641 (-3.3A)
3HB  A 641 (-4.2A)
FAD  A 640 (-3.8A)
3HB  A 641 ( 4.0A)
 0.29A 1fohB-2dkhA:
38.3		 1fohB-2dkhA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 2dkh 3-HYDROXYBENZOATE
HYDROXYLASE
(Comamonas
testosteroni) 		5 / 10 ASP A  75
GLY A  76
ILE A 260
ARG A 269
TYR A 271
 3HB  A 641 (-2.8A)
3HB  A 641 (-3.3A)
3HB  A 641 (-4.2A)
FAD  A 640 (-3.8A)
3HB  A 641 ( 4.0A)
 0.28A 1fohC-2dkhA:
37.5		 1fohC-2dkhA:
36.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 2dkh 3-HYDROXYBENZOATE
HYDROXYLASE
(Comamonas
testosteroni) 		5 / 10 ASP A  75
GLY A  76
ILE A 260
ARG A 269
TYR A 271
 3HB  A 641 (-2.8A)
3HB  A 641 (-3.3A)
3HB  A 641 (-4.2A)
FAD  A 640 (-3.8A)
3HB  A 641 ( 4.0A)
 0.26A 1fohD-2dkhA:
37.7		 1fohD-2dkhA:
36.02
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.
1TYR_A_9CRA131_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 6 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 1.00A 1tyrA-5hpiA:
undetectable		 1tyrA-5hpiA:
20.22
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.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)		 4bk1 PROBABLE SALICYLATE
MONOOXYGENASE
(Rhodococcus
jostii) 		5 / 9 GLY A 221
LEU A 219
TYR A 217
ALA A  71
LEU A  68
 None
None
3HB  A1400 (-4.3A)
None
None
 1.02A 2npnA-4bk1A:
undetectable		 2npnA-4bk1A:
23.60
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.
3CFQ_A_DIFA1_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 6 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 1.07A 3cfqA-5hpiA:
undetectable		 3cfqA-5hpiA:
20.99
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		5 / 12 ALA A 222
GLY A 162
ILE A 223
SER A 212
LEU A 211
 3HB  A 301 (-3.2A)
None
None
3HB  A 301 ( 3.9A)
None
 1.27A 3gyqA-5hpiA:
undetectable
3gyqB-5hpiA:
undetectable		 3gyqA-5hpiA:
21.17
3gyqB-5hpiA:
21.17
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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE
(Streptomyces
hygroscopicus) 		5 / 12 MET A  56
GLU A 334
VAL A 146
ILE A 133
ASN A 131
 None
None
None
None
3HB  A1341 (-4.3A)
 1.20A 3jayA-5a3kA:
undetectable		 3jayA-5a3kA:
15.58
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.
3NUV_B_ASDB126_1
(STEROID
DELTA-ISOMERASE)		 5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE
(Streptomyces
hygroscopicus) 		5 / 10 TYR A 111
LEU A 118
VAL A 126
PRO A 169
ALA A 171
 None
None
None
None
3HB  A1341 (-3.5A)
 1.40A 3nuvB-5a3kA:
undetectable		 3nuvB-5a3kA:
20.89
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.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 6 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 0.99A 4d7bB-5hpiA:
undetectable		 4d7bB-5hpiA:
20.22
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.
4IKI_B_IMNB201_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 6 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 1.00A 4ikiB-5hpiA:
undetectable		 4ikiB-5hpiA:
20.22
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.
4IKL_A_SUZA201_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 7 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 0.99A 4iklA-5hpiA:
undetectable
4iklB-5hpiA:
undetectable		 4iklA-5hpiA:
20.22
4iklB-5hpiA:
20.22
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.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 8 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 0.99A 4iklA-5hpiA:
undetectable
4iklB-5hpiA:
undetectable		 4iklA-5hpiA:
20.22
4iklB-5hpiA:
20.22
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.
4KHP_A_PARA1606_1
(16S RIBOSOMAL RNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE
(Streptomyces
hygroscopicus) 		3 / 3 TYR A 147
ARG A 328
SER A 327
 3HB  A1341 (-3.9A)
None
3HB  A1341 (-3.0A)
 1.01A 4khpI-5a3kA:
undetectable
4khpJ-5a3kA:
undetectable		 4khpI-5a3kA:
18.73
4khpJ-5a3kA:
12.98
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.
4P6X_G_HCYG900_2
(GLUCOCORTICOID
RECEPTOR)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		3 / 3 LEU A 238
MET A 241
TYR A 209
 None
3HB  A 301 (-3.5A)
None
 0.92A 4p6xG-5hpiA:
undetectable		 4p6xG-5hpiA:
20.83
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.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 7 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 0.98A 4pwjB-5hpiA:
undetectable		 4pwjB-5hpiA:
24.10
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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 5a3k PUTATIVE
PTERIDINE-DEPENDENT
DIOXYGENASE
(Streptomyces
hygroscopicus) 		4 / 5 GLY A 240
THR A 241
GLY A 337
GLU A 334
 3HB  A1341 ( 4.2A)
None
None
None
 0.73A 4v20A-5a3kA:
undetectable		 4v20A-5a3kA:
20.61
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.
5BOJ_B_4TXB201_1
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 7 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 1.02A 5bojB-5hpiA:
undetectable		 5bojB-5hpiA:
20.22
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		 5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR
(Acinetobacter
sp.
ADP1) 		4 / 6 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 1.05A 5l4iB-5hpiA:
undetectable		 5l4iB-5hpiA:
20.22
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.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		 2dkh 3-HYDROXYBENZOATE
HYDROXYLASE
(Comamonas
testosteroni) 		5 / 12 ILE A 260
LEU A 258
GLY A  76
GLY A 361
HIS A 135
 3HB  A 641 (-4.2A)
None
3HB  A 641 (-3.3A)
FAD  A 640 (-3.6A)
3HB  A 641 (-3.8A)
 1.09A 5nnaA-2dkhA:
undetectable		 5nnaA-2dkhA:
17.30
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.
5NNA_C_BZMC301_0
(ISATIN HYDROLASE A)		 2dkh 3-HYDROXYBENZOATE
HYDROXYLASE
(Comamonas
testosteroni) 		5 / 12 ILE A 260
LEU A 258
GLY A  76
GLY A 361
HIS A 135
 3HB  A 641 (-4.2A)
None
3HB  A 641 (-3.3A)
FAD  A 640 (-3.6A)
3HB  A 641 (-3.8A)
 1.10A 5nnaC-2dkhA:
undetectable		 5nnaC-2dkhA:
17.30
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.
5NNA_D_BZMD301_0
(ISATIN HYDROLASE A)		 2dkh 3-HYDROXYBENZOATE
HYDROXYLASE
(Comamonas
testosteroni) 		5 / 12 ILE A 260
LEU A 258
GLY A  76
GLY A 361
HIS A 135
 3HB  A 641 (-4.2A)
None
3HB  A 641 (-3.3A)
FAD  A 640 (-3.6A)
3HB  A 641 (-3.8A)
 1.06A 5nnaD-2dkhA:
undetectable		 5nnaD-2dkhA:
17.30