SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '836'


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.
1QLT_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 TYR A 755
PHE A 780
ILE A 795
ARG A 754
 EDO  A 836 ( 4.7A)
EDO  A 836 ( 3.9A)
None
None
 1.48A 1qltA-3ahiA:
2.5		 1qltA-3ahiA:
22.08
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.
1QLT_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 TYR A 755
PHE A 780
ILE A 795
ARG A 754
 EDO  A 836 ( 4.7A)
EDO  A 836 ( 3.9A)
None
None
 1.48A 1qltB-3ahiA:
2.4		 1qltB-3ahiA:
22.08
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.
1VAO_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 TYR A 755
PHE A 780
ILE A 795
ARG A 754
 EDO  A 836 ( 4.7A)
EDO  A 836 ( 3.9A)
None
None
 1.47A 1vaoA-3ahiA:
1.0		 1vaoA-3ahiA:
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.
1VAO_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 TYR A 755
PHE A 780
ILE A 795
ARG A 754
 EDO  A 836 ( 4.7A)
EDO  A 836 ( 3.9A)
None
None
 1.47A 1vaoB-3ahiA:
1.0		 1vaoB-3ahiA:
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.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		4 / 8 VAL A 411
VAL A 329
LEU A 412
HIS A 470
 None
None
None
836  A1201 ( 4.9A)
 0.96A 2ddwA-5v57A:
3.5		 2ddwA-5v57A:
19.87
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.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		4 / 7 VAL A 321
LEU A 522
MET A 230
ILE A 234
 None
836  A1201 (-4.6A)
836  A1201 (-3.5A)
None
 0.87A 3rfmA-5v57A:
18.6		 3rfmA-5v57A:
21.71
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		5 / 12 GLY A 328
ILE A 389
GLY A 277
PHE A 526
SER A 387
 None
None
None
None
836  A1201 (-4.5A)
 1.00A 3sudB-5v57A:
undetectable		 3sudB-5v57A:
16.49
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		 5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Synechocystis
sp.
PCC
6803) 		5 / 12 LEU b 476
ASP b 272
ALA b 488
TRP b 494
GLY b 259
 CLA  b1836 (-4.3A)
None
CLA  b1837 ( 4.1A)
CLA  b1836 ( 4.1A)
CLA  b1820 ( 4.0A)
 1.14A 4hfpD-5oy0b:
undetectable		 4hfpD-5oy0b:
12.60
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.
4MME_B_29QB603_1
(TRANSPORTER)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		5 / 9 TYR A 394
ASP A 473
VAL A 404
PHE A 391
GLY A 393
 836  A1201 (-4.6A)
836  A1201 ( 4.9A)
None
836  A1201 (-3.5A)
None
 1.24A 4mmeB-5v57A:
undetectable		 4mmeB-5v57A:
22.50
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.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		4 / 6 TYR A 322
LEU A 325
HIS A 470
THR A 466
 None
None
836  A1201 ( 4.9A)
None
 1.15A 4paeA-5v57A:
undetectable		 4paeA-5v57A:
21.62
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.
5ESH_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		4 / 5 TYR A 394
LEU A 515
PRO A 513
LEU A 522
 836  A1201 (-4.6A)
None
836  A1201 (-4.1A)
836  A1201 (-4.6A)
 1.47A 5eshA-5v57A:
1.0		 5eshA-5v57A:
23.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		11 / 12 ASN A 219
TRP A 281
ASP A 384
SER A 387
TYR A 394
ARG A 400
GLN A 477
PHE A 484
GLU A 518
ASN A 521
LEU A 522
 836  A1201 (-3.1A)
None
836  A1201 (-3.1A)
836  A1201 (-4.5A)
836  A1201 (-4.6A)
836  A1201 (-3.0A)
836  A1201 (-3.6A)
836  A1201 (-3.9A)
836  A1201 (-3.5A)
836  A1201 (-3.4A)
836  A1201 (-4.6A)
 0.56A 5l7iA-5v57A:
45.8		 5l7iA-5v57A:
79.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		5 / 12 TRP A 281
ASP A 384
SER A 387
LEU A 522
MET A 525
 None
836  A1201 (-3.1A)
836  A1201 (-4.5A)
836  A1201 (-4.6A)
None
 1.10A 5l7iA-5v57A:
45.8		 5l7iA-5v57A:
79.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		5 / 12 TRP A 281
ASP A 384
SER A 387
LEU A 522
MET A 525
 None
836  A1201 (-3.1A)
836  A1201 (-4.5A)
836  A1201 (-4.6A)
None
 1.10A 5l7iB-5v57A:
39.4		 5l7iB-5v57A:
79.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		11 / 12 TRP A 281
ASP A 384
SER A 387
TYR A 394
ARG A 400
ASP A 473
GLN A 477
PRO A 513
GLU A 518
ASN A 521
LEU A 522
 None
836  A1201 (-3.1A)
836  A1201 (-4.5A)
836  A1201 (-4.6A)
836  A1201 (-3.0A)
836  A1201 ( 4.9A)
836  A1201 (-3.6A)
836  A1201 (-4.1A)
836  A1201 (-3.5A)
836  A1201 (-3.4A)
836  A1201 (-4.6A)
 0.54A 5l7iB-5v57A:
39.4		 5l7iB-5v57A:
79.05
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.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		 5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG
(Desulfovibrio
vulgaris;
Homo
sapiens) 		4 / 7 LEU A 221
PHE A 222
SER A 385
GLU A 226
 836  A1201 (-4.8A)
None
None
None
 1.06A 5n5dA-5v57A:
undetectable		 5n5dA-5v57A:
17.19