SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DHB'


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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 7 ARG A 122
ASN A 371
TYR A  31
TRP A 256
 DHB  A 502 (-3.7A)
EDO  A 503 (-4.8A)
DHB  A 502 (-4.6A)
THG  A 501 ( 3.3A)
 1.35A 1tdnA-5x1nA:
undetectable		 1tdnA-5x1nA:
22.34
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)		 3dx5 UNCHARACTERIZED
PROTEIN ASBF
(Bacillus
anthracis) 		4 / 7 TYR A 217
GLU A  33
SER A  68
PHE A 104
 DHB  A 289 (-4.3A)
None
None
None
 1.11A 2ackA-3dx5A:
undetectable		 2ackA-3dx5A:
21.81
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.
2VXA_A_RBFA200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 163
ARG A 227
GLN A 223
HIS A  60
 THG  A 501 ( 4.4A)
None
None
DHB  A 502 (-4.3A)
 1.37A 2vxaA-5x1nA:
undetectable
2vxaC-5x1nA:
undetectable
2vxaE-5x1nA:
undetectable		 2vxaA-5x1nA:
9.25
2vxaC-5x1nA:
9.25
2vxaE-5x1nA:
9.25
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.
2VXA_B_RBFB200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.31A 2vxaA-5x1nA:
undetectable
2vxaB-5x1nA:
undetectable
2vxaK-5x1nA:
undetectable		 2vxaA-5x1nA:
9.25
2vxaB-5x1nA:
9.25
2vxaK-5x1nA:
9.25
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.
2VXA_C_RBFC200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.33A 2vxaB-5x1nA:
undetectable
2vxaC-5x1nA:
undetectable
2vxaG-5x1nA:
undetectable		 2vxaB-5x1nA:
9.25
2vxaC-5x1nA:
9.25
2vxaG-5x1nA:
9.25
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.
2VXA_D_RBFD200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 163
ARG A 227
GLN A 223
HIS A  60
 THG  A 501 ( 4.4A)
None
None
DHB  A 502 (-4.3A)
 1.32A 2vxaD-5x1nA:
undetectable
2vxaF-5x1nA:
undetectable
2vxaI-5x1nA:
undetectable		 2vxaD-5x1nA:
9.25
2vxaF-5x1nA:
9.25
2vxaI-5x1nA:
9.25
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.
2VXA_E_RBFE200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.36A 2vxaD-5x1nA:
undetectable
2vxaE-5x1nA:
undetectable
2vxaL-5x1nA:
undetectable		 2vxaD-5x1nA:
9.25
2vxaE-5x1nA:
9.25
2vxaL-5x1nA:
9.25
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.
2VXA_H_RBFH200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 HIS A  60
ARG A 227
GLN A 223
ARG A 163
 DHB  A 502 (-4.3A)
None
None
THG  A 501 ( 4.4A)
 1.34A 2vxaB-5x1nA:
undetectable
2vxaG-5x1nA:
undetectable
2vxaH-5x1nA:
undetectable		 2vxaB-5x1nA:
9.25
2vxaG-5x1nA:
9.25
2vxaH-5x1nA:
9.25
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.
2VXA_I_RBFI200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 ARG A 227
GLN A 223
ARG A 163
HIS A  60
 None
None
THG  A 501 ( 4.4A)
DHB  A 502 (-4.3A)
 1.33A 2vxaH-5x1nA:
undetectable
2vxaI-5x1nA:
undetectable
2vxaJ-5x1nA:
undetectable		 2vxaH-5x1nA:
9.25
2vxaI-5x1nA:
9.25
2vxaJ-5x1nA:
9.25
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.
2VXA_J_RBFJ200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 HIS A  60
ARG A 163
ARG A 227
GLN A 223
 DHB  A 502 (-4.3A)
THG  A 501 ( 4.4A)
None
None
 1.35A 2vxaD-5x1nA:
undetectable
2vxaJ-5x1nA:
undetectable
2vxaL-5x1nA:
undetectable		 2vxaD-5x1nA:
9.25
2vxaJ-5x1nA:
9.25
2vxaL-5x1nA:
9.25
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.
2VXA_K_RBFK200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 HIS A  60
ARG A 227
GLN A 223
ARG A 163
 DHB  A 502 (-4.3A)
None
None
THG  A 501 ( 4.4A)
 1.36A 2vxaH-5x1nA:
undetectable
2vxaJ-5x1nA:
undetectable
2vxaK-5x1nA:
undetectable		 2vxaH-5x1nA:
9.25
2vxaJ-5x1nA:
9.25
2vxaK-5x1nA:
9.25
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.
2VXA_L_RBFL200_1
(DODECIN)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		4 / 8 HIS A  60
ARG A 227
GLN A 223
ARG A 163
 DHB  A 502 (-4.3A)
None
None
THG  A 501 ( 4.4A)
 1.36A 2vxaA-5x1nA:
undetectable
2vxaK-5x1nA:
undetectable
2vxaL-5x1nA:
undetectable		 2vxaA-5x1nA:
9.25
2vxaK-5x1nA:
9.25
2vxaL-5x1nA:
9.25
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		 5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE
(Sphingobium
sp.
SYK-6) 		3 / 3 ARG A 122
ILE A  26
THR A 430
 DHB  A 502 (-3.7A)
None
None
 0.68A 3ia4D-5x1nA:
undetectable		 3ia4D-5x1nA:
18.75
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.
3ZOA_A_ACRA1587_2
(TREHALOSE
SYNTHASE/AMYLASE
TRES)		 4paf TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE
(Ruegeria
pomeroyi) 		3 / 3 ARG A 150
PHE A 235
PRO A 236
 DHB  A 401 (-2.8A)
DHB  A 401 (-4.5A)
None
 0.87A 3zoaB-4pafA:
undetectable		 3zoaB-4pafA:
19.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PBH_A_BEZA401_0
(TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE)		 4paf TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE
(Ruegeria
pomeroyi) 		12 / 12 ILE A  34
THR A  35
HIS A  39
TRP A  41
THR A  91
ALA A 147
ARG A 150
ARG A 170
LEU A 193
ASP A 211
LEU A 214
PHE A 235
 DHB  A 401 ( 4.8A)
DHB  A 401 (-4.2A)
DHB  A 401 (-3.8A)
DHB  A 401 (-2.9A)
DHB  A 401 (-4.2A)
DHB  A 401 (-2.8A)
DHB  A 401 (-2.8A)
DHB  A 401 (-3.0A)
DHB  A 401 (-4.8A)
DHB  A 401 (-2.9A)
DHB  A 401 (-4.5A)
DHB  A 401 (-4.5A)
 0.10A 4pbhA-4pafA:
55.6		 4pbhA-4pafA:
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.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 4paf TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE
(Ruegeria
pomeroyi) 		5 / 12 PHE A 235
LEU A 110
SER A  96
ILE A 177
ASP A 209
 DHB  A 401 (-4.5A)
None
None
None
None
 1.49A 6bxnA-4pafA:
undetectable		 6bxnA-4pafA:
21.82