SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DHK'


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.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		4 / 7 VAL A   4
ARG A 202
ILE A 192
GLY A 210
 None
DHK  A 239 (-2.6A)
DHK  A 239 ( 4.2A)
None
 0.96A 11gsA-1sfjA:
undetectable		 11gsA-1sfjA:
22.14
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		4 / 8 VAL A   4
ARG A 202
ILE A 192
GLY A 210
 None
DHK  A 239 (-2.6A)
DHK  A 239 ( 4.2A)
None
 0.93A 2gssA-1sfjA:
undetectable		 2gssA-1sfjA:
21.77
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.
2GSS_B_EAAB0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		4 / 8 VAL A   4
ARG A 202
ILE A 192
GLY A 210
 None
DHK  A 239 (-2.6A)
DHK  A 239 ( 4.2A)
None
 0.93A 2gssB-1sfjA:
undetectable		 2gssB-1sfjA:
21.77
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		3 / 3 LEU A 289
LEU A 148
PHE A 291
 None
None
DHK  A9241 (-3.4A)
 0.61A 2pgrA-2o7qA:
3.7		 2pgrA-2o7qA:
23.46
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.
2YA7_B_ZMRB1776_2
(NEURAMINIDASE A)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		4 / 6 ASP A  39
ILE A  38
LEU A  92
GLU A  35
 None
None
None
DHK  A 239 (-3.1A)
 1.04A 2ya7B-1sfjA:
undetectable		 2ya7B-1sfjA:
19.05
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		5 / 11 HIS A 133
LEU A 144
GLY A 191
VAL A 189
HIS A 132
 DHK  A 239 (-4.8A)
None
None
None
None
 1.15A 2yy8A-1sfjA:
undetectable
2yy8B-1sfjA:
2.6		 2yy8A-1sfjA:
19.69
2yy8B-1sfjA:
19.69
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.
3CO4_A_GCSA401_1
(CHITINASE)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		3 / 3 GLU A 136
HIS A 133
HIS A 132
 None
DHK  A 239 (-4.8A)
None
 0.90A 3co4A-1sfjA:
11.1		 3co4A-1sfjA:
21.25
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.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		5 / 12 THR A 407
VAL A 333
LEU A 359
ILE A 328
TYR A 355
 None
None
None
DHK  A4733 (-3.9A)
None
 1.42A 3elzC-2o7qA:
undetectable		 3elzC-2o7qA:
15.89
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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		4 / 8 SER A 429
PHE A 575
LEU A 468
ASP A 423
 None
None
None
DHK  A4733 (-2.8A)
 1.01A 3m0wE-2o7qA:
undetectable
3m0wF-2o7qA:
undetectable
3m0wG-2o7qA:
undetectable
3m0wH-2o7qA:
undetectable		 3m0wE-2o7qA:
11.31
3m0wF-2o7qA:
11.31
3m0wG-2o7qA:
11.31
3m0wH-2o7qA:
11.31
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.
3N9J_A_EAAA210_1
(GLUTATHIONE
S-TRANSFERASE P)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		4 / 8 VAL A   4
ARG A 202
ILE A 192
GLY A 210
 None
DHK  A 239 (-2.6A)
DHK  A 239 ( 4.2A)
None
 0.93A 3n9jA-1sfjA:
undetectable		 3n9jA-1sfjA:
22.14
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.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		5 / 12 PHE A 586
HIS A 357
THR A 381
SER A 336
GLY A 330
 None
None
DHK  A4733 (-3.9A)
DHK  A4733 (-2.5A)
None
 1.45A 4hvcA-2o7qA:
5.8		 4hvcA-2o7qA:
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.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		5 / 12 PHE A 586
HIS A 357
THR A 381
SER A 336
GLY A 330
 None
None
DHK  A4733 (-3.9A)
DHK  A4733 (-2.5A)
None
 1.45A 4olfA-2o7qA:
4.1		 4olfA-2o7qA:
22.05
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.
4PCL_A_SAMA301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		5 / 12 ALA A 388
LEU A 417
ASP A 423
ASN A 421
TYR A 355
 None
CSO  A 391 ( 4.6A)
DHK  A4733 (-2.8A)
CSO  A 424 ( 4.2A)
None
 0.87A 4pclA-2o7qA:
5.0		 4pclA-2o7qA:
18.65
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		4 / 8 PHE A 291
SER A 300
ALA A 243
LEU A 269
 DHK  A9241 (-3.4A)
DHK  A9241 (-2.8A)
DHK  A9241 ( 4.6A)
DHK  A9241 (-3.7A)
 0.96A 4rkuA-2o7qA:
undetectable
4rkuJ-2o7qA:
undetectable		 4rkuA-2o7qA:
20.52
4rkuJ-2o7qA:
7.56
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.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		4 / 7 PHE A 291
SER A 300
ALA A 243
LEU A 269
 DHK  A9241 (-3.4A)
DHK  A9241 (-2.8A)
DHK  A9241 ( 4.6A)
DHK  A9241 (-3.7A)
 1.02A 4xk8A-2o7qA:
undetectable		 4xk8A-2o7qA:
20.59
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.
4ZZB_D_ACTD403_0
(PROTON-GATED ION
CHANNEL)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		4 / 4 ILE A  89
ARG A  70
TYR A  85
GLU A 104
 None
DHK  A 239 (-3.6A)
None
None
 1.41A 4zzbD-1sfjA:
undetectable		 4zzbD-1sfjA:
20.82
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.
5B6I_A_ADNA302_1
(FLUORINASE)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		4 / 7 ASP A 102
THR A  68
TYR A  69
THR A  71
 None
DHK  A 239 ( 3.8A)
None
None
 1.00A 5b6iA-1sfjA:
undetectable		 5b6iA-1sfjA:
19.81
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.
5B6I_B_ADNB302_1
(FLUORINASE)		 1sfj 3-DEHYDROQUINATE
DEHYDRATASE
(Staphylococcus
aureus) 		4 / 6 ASP A 102
THR A  68
TYR A  69
THR A  71
 None
DHK  A 239 ( 3.8A)
None
None
 0.99A 5b6iB-1sfjA:
undetectable		 5b6iB-1sfjA:
19.81
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.
5UUN_B_ACTB310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		4 / 4 GLY A 303
PRO A 302
VAL A 299
ARG A 279
 None
None
None
DHK  A9241 (-2.7A)
 1.25A 5uunA-2o7qA:
0.0
5uunB-2o7qA:
0.0		 5uunA-2o7qA:
20.88
5uunB-2o7qA:
20.88
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.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE
(Arabidopsis
thaliana) 		5 / 12 GLU A 531
VAL A 529
PRO A 552
THR A 551
THR A 381
 None
None
None
None
DHK  A4733 (-3.9A)
 1.25A 5xioB-2o7qA:
5.2		 5xioB-2o7qA:
20.58