SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HBX'


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.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		4 / 8 TYR A 457
GLY A 180
SER A 322
ILE A 321
 HBX  A 530 (-4.3A)
None
None
None
 0.84A 3ihzB-3gdnA:
undetectable		 3ihzB-3gdnA:
12.45
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.92A 3ln1A-3gdnA:
undetectable		 3ln1A-3gdnA:
21.42
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.93A 3ln1B-3gdnA:
undetectable		 3ln1B-3gdnA:
21.42
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.92A 3ln1C-3gdnA:
undetectable		 3ln1C-3gdnA:
21.42
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.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.92A 3ln1D-3gdnA:
undetectable		 3ln1D-3gdnA:
21.42
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.
3SOA_A_DB8A445_1
(CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II
SUBUNIT ALPHA WITH A
BETA 7 LINKER)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		4 / 6 LEU A  76
VAL A  73
PHE A 330
PHE A 355
 None
None
HBX  A 530 (-4.0A)
None
 1.01A 3soaA-3gdnA:
undetectable		 3soaA-3gdnA:
21.84
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.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 PHE A 342
ARG A 194
GLY A 112
ASN A 110
PHE A 330
 HBX  A 530 ( 4.7A)
None
FAD  A 522 (-3.9A)
FAD  A 522 (-4.2A)
HBX  A 530 (-4.0A)
 1.43A 4kotA-3gdnA:
undetectable		 4kotA-3gdnA:
14.75
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.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 10 PHE A 342
ARG A 194
GLY A 112
ASN A 110
PHE A 330
 HBX  A 530 ( 4.7A)
None
FAD  A 522 (-3.9A)
FAD  A 522 (-4.2A)
HBX  A 530 (-4.0A)
 1.41A 4kouA-3gdnA:
undetectable		 4kouA-3gdnA:
14.75
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 PHE A 342
ARG A 194
GLY A 112
ASN A 110
PHE A 330
 HBX  A 530 ( 4.7A)
None
FAD  A 522 (-3.9A)
FAD  A 522 (-4.2A)
HBX  A 530 (-4.0A)
 1.41A 4kowA-3gdnA:
undetectable		 4kowA-3gdnA:
14.75
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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		4 / 7 TYR A 457
ILE A 406
HIS A 497
LEU A 319
 HBX  A 530 (-4.3A)
None
HBX  A 530 ( 3.9A)
None
 1.24A 4xo7B-3gdnA:
undetectable		 4xo7B-3gdnA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		6 / 11 ALA A 111
ARG A 300
HIS A 357
TYR A 457
TRP A 458
HIS A 497
 FAD  A 522 ( 3.0A)
None
HBX  A 530 (-4.5A)
HBX  A 530 (-4.3A)
FAD  A 522 (-3.9A)
HBX  A 530 ( 3.9A)
 0.35A 5eb5A-3gdnA:
64.6		 5eb5A-3gdnA:
74.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		6 / 10 ALA A 111
ARG A 300
HIS A 357
TYR A 457
TRP A 458
HIS A 497
 FAD  A 522 ( 3.0A)
None
HBX  A 530 (-4.5A)
HBX  A 530 (-4.3A)
FAD  A 522 (-3.9A)
HBX  A 530 ( 3.9A)
 0.36A 5eb5B-3gdnA:
64.8		 5eb5B-3gdnA:
74.44
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		4 / 5 PRO A 299
HIS A 497
LEU A 409
PHE A 330
 None
HBX  A 530 ( 3.9A)
None
HBX  A 530 (-4.0A)
 1.46A 5igjA-3gdnA:
undetectable		 5igjA-3gdnA:
20.93
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.92A 5jw1A-3gdnA:
undetectable		 5jw1A-3gdnA:
20.94
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.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.96A 5jw1B-3gdnA:
undetectable		 5jw1B-3gdnA:
20.94
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.
5KIR_A_RCXA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.93A 5kirA-3gdnA:
undetectable		 5kirA-3gdnA:
22.41
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.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3gdn R-OXYNITRILE LYASE
ISOENZYME 1
(Prunus
dulcis) 		5 / 12 TYR A 457
ALA A 495
VAL A 113
GLY A 112
ALA A 111
 HBX  A 530 (-4.3A)
None
FAD  A 522 (-3.7A)
FAD  A 522 (-3.9A)
FAD  A 522 ( 3.0A)
 0.93A 5kirB-3gdnA:
undetectable		 5kirB-3gdnA:
22.41