SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4e21'

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.
1FK9_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		5 / 10 LYS A  56
VAL A  63
VAL A  27
TYR A  29
GLY A   4
 None
 1.17A 1fk9A-4e21A:
undetectable		 1fk9A-4e21A:
19.78
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		4 / 7 ASP A 116
ALA A 104
ASP A  91
TYR A 114
 None
 1.24A 2e5dA-4e21A:
undetectable
2e5dB-4e21A:
2.9		 2e5dA-4e21A:
21.72
2e5dB-4e21A:
21.72
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		4 / 7 ASP A  91
TYR A 114
ASP A 116
ALA A 104
 None
 1.26A 2e5dA-4e21A:
2.1
2e5dB-4e21A:
2.0		 2e5dA-4e21A:
21.72
2e5dB-4e21A:
21.72
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.
3AIC_B_ACRB5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		3 / 3 LEU A 301
TRP A 286
TYR A 196
 None
None
MRD  A 401 (-4.5A)
 1.00A 3aicB-4e21A:
undetectable		 3aicB-4e21A:
17.63
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.
3AIC_E_ACRE5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		3 / 3 LEU A 301
TRP A 286
TYR A 196
 None
None
MRD  A 401 (-4.5A)
 1.00A 3aicE-4e21A:
undetectable		 3aicE-4e21A:
17.63
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.
3AIC_G_ACRG5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		3 / 3 LEU A 301
TRP A 286
TYR A 196
 None
None
MRD  A 401 (-4.5A)
 0.99A 3aicG-4e21A:
undetectable		 3aicG-4e21A:
17.63
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.
3AIC_H_ACRH5044_2
(GLUCOSYLTRANSFERASE-
SI)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		3 / 3 LEU A 301
TRP A 286
TYR A 196
 None
None
MRD  A 401 (-4.5A)
 0.97A 3aicH-4e21A:
undetectable		 3aicH-4e21A:
17.63
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.
3BOG_C_DVAC47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		4 / 4 GLY A 182
GLY A 135
GLY A 179
GLY A 184
 None
 0.60A 3bogC-4e21A:
undetectable		 3bogC-4e21A:
undetectable
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.
3BOG_D_DVAD47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		4 / 4 GLY A 182
GLY A 135
GLY A 179
GLY A 184
 None
 0.56A 3bogD-4e21A:
undetectable		 3bogD-4e21A:
undetectable
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		5 / 12 HIS A 191
GLY A  92
TYR A 130
VAL A 117
GLY A 118
 None
 1.32A 3f8wB-4e21A:
undetectable		 3f8wB-4e21A:
22.57
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		5 / 12 GLY A   7
ASP A  30
LEU A  31
ASN A  32
PRO A  68
 None
 0.83A 3q87B-4e21A:
5.6		 3q87B-4e21A:
20.11
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.
3SI7_C_ACTC4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		4 / 4 GLY A 125
GLY A 121
THR A 119
LEU A 132
 None
 0.86A 3si7C-4e21A:
undetectable
3si7D-4e21A:
undetectable		 3si7C-4e21A:
20.87
3si7D-4e21A:
20.87
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.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		5 / 12 LEU A  76
ASP A  73
ASP A 100
GLY A  92
HIS A 185
 None
 1.41A 4pgfA-4e21A:
9.1		 4pgfA-4e21A:
20.58
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		4 / 7 THR A 119
ARG A  18
GLY A 125
GLY A 122
 None
 0.74A 4rdxA-4e21A:
2.6		 4rdxA-4e21A:
23.53
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.
5DPD_B_SAMB601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		5 / 12 GLY A   7
ASP A  30
LEU A  31
VAL A  67
VAL A  71
 None
 1.06A 5dpdB-4e21A:
2.3		 5dpdB-4e21A:
19.82
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.
5L5F_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 4e21 6-PHOSPHOGLUCONATE
DEHYDROGENASE
(DECARBOXYLATING)
(Geobacter
metallireducens) 		4 / 8 SER A  74
ALA A  69
ASP A  91
SER A  95
 None
 1.02A 5l5fY-4e21A:
undetectable
5l5fZ-4e21A:
undetectable		 5l5fY-4e21A:
21.24
5l5fZ-4e21A:
21.39