SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2pkq'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_G_CCSG149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 7 ASN O 313
TYR O 317
ASN O 152
TYR O 311
 NDP  O 363 (-4.2A)
NDP  O 363 (-3.7A)
None
None
 0.84A 1dssG-2pkqO:
47.6		 1dssG-2pkqO:
45.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_G_CCSG149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		7 / 7 SER O 148
THR O 150
ASN O 152
CYH O 153
TYR O 311
ASN O 313
TYR O 317
 None
None
None
None
None
NDP  O 363 (-4.2A)
NDP  O 363 (-3.7A)
 0.60A 1dssG-2pkqO:
47.6		 1dssG-2pkqO:
45.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_R_CCSR149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 8 ASN O 313
TYR O 317
ASN O 152
TYR O 311
 NDP  O 363 (-4.2A)
NDP  O 363 (-3.7A)
None
None
 0.86A 1dssR-2pkqO:
25.6		 1dssR-2pkqO:
45.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DSS_R_CCSR149_0
(D-GLYCERALDEHYDE-3-P
HOSPHATE-DEHYDROGENA
SE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		8 / 8 SER O 148
THR O 150
ASN O 152
CYH O 153
HIS O 176
TYR O 311
ASN O 313
TYR O 317
 None
None
None
None
None
None
NDP  O 363 (-4.2A)
NDP  O 363 (-3.7A)
 0.63A 1dssR-2pkqO:
25.6		 1dssR-2pkqO:
45.18
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.
1DZ6_B_CAMB502_0
(CYTOCHROME P450-CAM)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 5 PHE O   8
VAL O  57
VAL O  73
ASP O  32
 None
None
None
NDP  O 363 ( 4.8A)
 1.34A 1dz6B-2pkqO:
undetectable		 1dz6B-2pkqO:
19.01
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.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 7 THR O 179
GLU O 314
SER O 238
VAL O 240
 SO4  O 370 (-3.8A)
NDP  O 363 (-4.3A)
None
None
 1.19A 1tv8A-2pkqO:
undetectable		 1tv8A-2pkqO:
20.98
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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 7 PRO O  79
HIS O 108
GLY O 102
ASP O 101
 None
 1.01A 2ddwB-2pkqO:
3.3		 2ddwB-2pkqO:
23.14
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.
3BJW_G_SVRG506_2
(PHOSPHOLIPASE A2)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 5 VAL O 129
VAL O 130
GLN O 319
PHE O 157
 None
 1.38A 3bjwB-2pkqO:
undetectable		 3bjwB-2pkqO:
16.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DMT_C_CCSC166_0
(GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
GLYCOSOMAL)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 8 ASN O 313
TYR O 317
ASN O 152
TYR O 311
 NDP  O 363 (-4.2A)
NDP  O 363 (-3.7A)
None
None
 0.88A 3dmtC-2pkqO:
47.2		 3dmtC-2pkqO:
41.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DMT_C_CCSC166_0
(GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
GLYCOSOMAL)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		8 / 8 SER O 148
THR O 150
ASN O 152
CYH O 153
HIS O 176
TYR O 311
ASN O 313
TYR O 317
 None
None
None
None
None
None
NDP  O 363 (-4.2A)
NDP  O 363 (-3.7A)
 0.61A 3dmtC-2pkqO:
47.2		 3dmtC-2pkqO:
41.93
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.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		5 / 12 VAL O 273
VAL O 160
GLY O 265
ALA O 263
LEU O 271
 None
 1.07A 3n8zA-2pkqO:
undetectable		 3n8zA-2pkqO:
19.57
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.
4AGA_A_ACTA1131_0
(LYSOZYME C)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		3 / 3 ASN O 236
ASP O 312
ASN O 313
 None
None
NDP  O 363 (-4.2A)
 0.64A 4agaA-2pkqO:
undetectable		 4agaA-2pkqO:
18.85
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.
4EIL_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		5 / 10 VAL O 305
ALA O 252
ASP O 254
VAL O 307
THR O 251
 None
 1.37A 4eilD-2pkqO:
undetectable		 4eilD-2pkqO:
22.26
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)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		5 / 12 ILE O  91
ALA O 120
ALA O 122
VAL O 100
GLY O  95
 None
NDP  O 363 ( 3.7A)
None
None
NDP  O 363 (-4.8A)
 1.13A 4hfpD-2pkqO:
undetectable		 4hfpD-2pkqO:
20.37
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.
4OLT_B_GCSB301_1
(CHITOSANASE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		3 / 3 GLY O 104
PRO O 103
GLN O 110
 None
 0.55A 4oltB-2pkqO:
undetectable		 4oltB-2pkqO:
21.14
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 4 ALA O 325
VAL O  92
GLY O  95
THR O 119
 None
None
NDP  O 363 (-4.8A)
NDP  O 363 (-4.8A)
 1.04A 4ubeA-2pkqO:
3.4		 4ubeA-2pkqO:
24.29
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.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		5 / 11 SER O 148
LEU O 154
PRO O 156
VAL O 129
THR O 127
 None
 1.20A 4uuuB-2pkqO:
undetectable		 4uuuB-2pkqO:
17.40
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_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		4 / 7 VAL O 305
ILE O 246
LEU O 218
LEU O 221
 None
 1.02A 4xo7A-2pkqO:
undetectable		 4xo7A-2pkqO:
18.25
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.
5EYP_B_LOCB502_2
(TUBULIN BETA CHAIN)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		5 / 12 LEU O 324
ALA O 122
ILE O 118
ALA O 120
ILE O 125
 None
None
None
NDP  O 363 ( 3.7A)
None
 1.25A 5eypB-2pkqO:
3.9		 5eypB-2pkqO:
23.01
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.
5GSN_A_MMZA503_1
(FLAVIN-CONTAINING
MONOOXYGENASE)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		3 / 3 ASN O 152
SER O 289
SER O 290
 None
 0.77A 5gsnA-2pkqO:
1.6		 5gsnA-2pkqO:
23.08
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.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B
(Spinacia
oleracea) 		5 / 12 ARG O  17
LEU O  44
PHE O   8
GLY O   7
GLY O  12
 None
None
None
NDP  O 363 ( 3.7A)
None
 1.07A 5l6eA-2pkqO:
undetectable		 5l6eA-2pkqO:
20.52