SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3nre'

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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		4 / 8 GLY A  19
GLY A  20
TRP A 147
VAL A 133
 None
 0.86A 1dbbH-3nreA:
undetectable
1dbbL-3nreA:
undetectable		 1dbbH-3nreA:
21.81
1dbbL-3nreA:
19.21
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.
1EE2_A_CHDA1150_1
(ALCOHOL
DEHYDROGENASE)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		4 / 4 GLU A 282
MET A 223
LEU A 285
SER A 284
 None
 1.44A 1ee2B-3nreA:
undetectable		 1ee2B-3nreA:
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.
1UNJ_F_DVAF2_0
(7-AMINO-ACTINOMYCIN
D)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		3 / 3 THR A 225
PRO A 228
THR A 226
 None
 0.84A 1unjF-3nreA:
undetectable		 1unjF-3nreA:
10.84
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.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		5 / 12 GLY A  40
GLY A  86
GLY A  89
GLU A  90
VAL A  51
 None
 1.16A 2wa2A-3nreA:
undetectable		 2wa2A-3nreA:
20.25
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		4 / 8 HIS A  83
ASN A  55
PHE A 235
ARG A  56
 PEG  A 316 (-4.1A)
PEG  A 310 (-3.3A)
PEG  A 316 ( 4.1A)
PEG  A 310 (-2.8A)
 1.24A 3ccfB-3nreA:
undetectable		 3ccfB-3nreA:
22.36
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.
4MMA_A_CXXA603_1
(TRANSPORTER)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		5 / 11 ASP A  44
PRO A  49
PHE A  48
SER A  16
GLY A  19
 None
 1.31A 4mmaA-3nreA:
undetectable		 4mmaA-3nreA:
19.45
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		5 / 12 TRP A 147
THR A 130
SER A 281
GLY A  86
PRO A  49
 None
 1.26A 4uinH-3nreA:
undetectable
4uinL-3nreA:
undetectable		 4uinH-3nreA:
19.67
4uinL-3nreA:
19.08
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.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		4 / 5 LEU A  71
GLU A  68
LEU A 141
HIS A 107
 None
 1.26A 4xi3B-3nreA:
undetectable		 4xi3B-3nreA:
21.00
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		4 / 6 SER A 281
GLU A 282
GLY A  84
GLY A  86
 None
 0.89A 5cdnA-3nreA:
undetectable
5cdnB-3nreA:
undetectable		 5cdnA-3nreA:
18.89
5cdnB-3nreA:
20.89
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.
5E2I_A_DMEA605_1
(ACETYLCHOLINESTERASE)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		4 / 6 TYR A 105
ASP A  85
TRP A  91
PHE A  53
 None
 1.31A 5e2iA-3nreA:
undetectable		 5e2iA-3nreA:
19.89
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.
5MVM_A_PFLA510_1
(PROTON-GATED ION
CHANNEL)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		5 / 9 ILE A 222
ALA A 220
ILE A 221
ILE A 159
ALA A 210
 None
 1.05A 5mvmA-3nreA:
undetectable
5mvmE-3nreA:
undetectable		 5mvmA-3nreA:
13.15
5mvmE-3nreA:
13.15
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 3nre ALDOSE 1-EPIMERASE
(Escherichia
coli) 		4 / 6 LEU A 153
PHE A 151
PHE A 250
LEU A 194
 None
 1.19A 5x19P-3nreA:
undetectable		 5x19P-3nreA:
19.67