SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3nbu'

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.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 10 ILE A 493
ALA A 318
LEU A 488
ILE A 335
THR A 495
None
1.24A 1rb3A-3nbuA:
undetectable
1rb3A-3nbuA:
13.43
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.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.57A 1v54C-3nbuA:
undetectable
1v54J-3nbuA:
undetectable
1v54C-3nbuA:
18.63
1v54J-3nbuA:
8.47
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.
1V54_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.58A 1v54P-3nbuA:
undetectable
1v54W-3nbuA:
undetectable
1v54P-3nbuA:
18.63
1v54W-3nbuA:
8.47
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.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.68A 1v55C-3nbuA:
undetectable
1v55J-3nbuA:
undetectable
1v55C-3nbuA:
18.63
1v55J-3nbuA:
8.47
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.
1V55_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.65A 1v55P-3nbuA:
undetectable
1v55W-3nbuA:
undetectable
1v55P-3nbuA:
18.63
1v55W-3nbuA:
8.47
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.
2ACK_A_EDRA999_1
(ACETYLCHOLINESTERASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 GLY A  77
GLU A  86
SER A  81
PHE A 494
None
1.02A 2ackA-3nbuA:
undetectable
2ackA-3nbuA:
20.33
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.60A 2dyrC-3nbuA:
undetectable
2dyrJ-3nbuA:
undetectable
2dyrC-3nbuA:
18.63
2dyrJ-3nbuA:
8.47
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.
2DYR_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.57A 2dyrP-3nbuA:
undetectable
2dyrW-3nbuA:
undetectable
2dyrP-3nbuA:
18.63
2dyrW-3nbuA:
8.47
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.
2DYS_C_CHDC310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.68A 2dysC-3nbuA:
undetectable
2dysJ-3nbuA:
undetectable
2dysC-3nbuA:
18.63
2dysJ-3nbuA:
8.47
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.
2DYS_P_CHDP310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.54A 2dysP-3nbuA:
undetectable
2dysW-3nbuA:
undetectable
2dysP-3nbuA:
18.63
2dysW-3nbuA:
8.47
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.
2EIJ_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.61A 2eijC-3nbuA:
undetectable
2eijJ-3nbuA:
undetectable
2eijC-3nbuA:
18.63
2eijJ-3nbuA:
8.47
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.
2EIJ_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.61A 2eijP-3nbuA:
undetectable
2eijW-3nbuA:
undetectable
2eijP-3nbuA:
18.63
2eijW-3nbuA:
8.47
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.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.70A 2eikC-3nbuA:
undetectable
2eikJ-3nbuA:
undetectable
2eikC-3nbuA:
18.63
2eikJ-3nbuA:
8.47
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.
2EIK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.65A 2eikP-3nbuA:
undetectable
2eikW-3nbuA:
undetectable
2eikP-3nbuA:
18.63
2eikW-3nbuA:
8.47
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.66A 2eilC-3nbuA:
undetectable
2eilJ-3nbuA:
undetectable
2eilC-3nbuA:
18.63
2eilJ-3nbuA:
8.47
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.
2EIM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.68A 2eimC-3nbuA:
undetectable
2eimJ-3nbuA:
undetectable
2eimC-3nbuA:
18.63
2eimJ-3nbuA:
8.47
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.
2EIN_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.69A 2einC-3nbuA:
undetectable
2einJ-3nbuA:
undetectable
2einC-3nbuA:
18.63
2einJ-3nbuA:
8.47
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.
2EIN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 6 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.61A 2einP-3nbuA:
undetectable
2einW-3nbuA:
undetectable
2einP-3nbuA:
18.63
2einW-3nbuA:
8.47
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.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  66
LEU A 500
PRO A 400
GLY A 329
None
0.96A 2po5A-3nbuA:
2.2
2po5A-3nbuA:
20.72
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.
2PO5_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  66
LEU A 500
PRO A 400
GLY A 329
None
0.97A 2po5B-3nbuA:
4.1
2po5B-3nbuA:
20.72
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.
2QEB_A_HSMA145_1
(D7R4 PROTEIN)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 ILE A 493
TYR A 489
ASP A 402
GLU A 333
None
1.05A 2qebA-3nbuA:
2.0
2qebA-3nbuA:
13.84
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.
2QEB_B_HSMB145_1
(D7R4 PROTEIN)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 ILE A 493
TYR A 489
ASP A 402
GLU A 333
None
1.03A 2qebB-3nbuA:
undetectable
2qebB-3nbuA:
13.84
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.
2ZXW_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.58A 2zxwC-3nbuA:
undetectable
2zxwJ-3nbuA:
undetectable
2zxwC-3nbuA:
18.63
2zxwJ-3nbuA:
8.47
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.
2ZXW_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 6 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.51A 2zxwP-3nbuA:
undetectable
2zxwW-3nbuA:
undetectable
2zxwP-3nbuA:
18.63
2zxwW-3nbuA:
8.47
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 11 ILE A 493
ALA A 318
LEU A 488
ILE A 335
THR A 495
None
1.34A 2zzaB-3nbuA:
undetectable
2zzaB-3nbuA:
16.22
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 6 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.51A 3ag1C-3nbuA:
undetectable
3ag1J-3nbuA:
undetectable
3ag1C-3nbuA:
18.63
3ag1J-3nbuA:
8.47
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.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.67A 3ag2C-3nbuA:
undetectable
3ag2C-3nbuA:
18.63
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.68A 3ag2P-3nbuA:
undetectable
3ag2W-3nbuA:
undetectable
3ag2P-3nbuA:
18.63
3ag2W-3nbuA:
8.47
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.64A 3ag4C-3nbuA:
undetectable
3ag4J-3nbuA:
undetectable
3ag4C-3nbuA:
18.63
3ag4J-3nbuA:
8.47
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.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.62A 3ag4P-3nbuA:
undetectable
3ag4W-3nbuA:
undetectable
3ag4P-3nbuA:
18.63
3ag4W-3nbuA:
8.47
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.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.63A 3asnC-3nbuA:
undetectable
3asnJ-3nbuA:
undetectable
3asnC-3nbuA:
18.63
3asnJ-3nbuA:
8.47
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 ILE A 335
LEU A 485
ALA A 487
ILE A 486
PHE A 345
None
1.11A 3b2rA-3nbuA:
undetectable
3b2rA-3nbuA:
20.30
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.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 11 ILE A 335
LEU A 485
ALA A 487
ILE A 486
PHE A 345
None
1.14A 3b2rB-3nbuA:
undetectable
3b2rB-3nbuA:
20.30
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_3
(PHOSPHOLIPASE A2)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 PRO A 314
PHE A 349
LYS A 492
None
1.19A 3bjwG-3nbuA:
undetectable
3bjwG-3nbuA:
10.07
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 THR A 306
SER A 305
PHE A  45
None
0.78A 3d4sA-3nbuA:
undetectable
3d4sA-3nbuA:
23.23
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 ILE A 493
ALA A 318
LEU A 488
ILE A 335
THR A 495
None
1.22A 3ql3A-3nbuA:
undetectable
3ql3A-3nbuA:
13.43
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.
3W68_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 VAL A 123
PHE A 290
ILE A 486
VAL A 267
VAL A 120
None
0.99A 3w68D-3nbuA:
undetectable
3w68D-3nbuA:
19.13
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.78A 3x2qC-3nbuA:
undetectable
3x2qJ-3nbuA:
undetectable
3x2qC-3nbuA:
18.63
3x2qJ-3nbuA:
8.47
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.
3X2Q_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.79A 3x2qP-3nbuA:
undetectable
3x2qW-3nbuA:
undetectable
3x2qP-3nbuA:
18.63
3x2qW-3nbuA:
8.47
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 PHE A 345
VAL A 165
GLY A 483
PHE A 349
None
0.85A 4ejjB-3nbuA:
undetectable
4ejjB-3nbuA:
20.66
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.
4RTR_A_SAMA301_0
(DNA ADENINE
METHYLASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 11 TRP A 139
GLY A 141
PHE A 240
ILE A 255
TYR A 142
None
1.30A 4rtrA-3nbuA:
2.9
4rtrA-3nbuA:
22.10
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.
4RTS_A_SAMA301_0
(DNA ADENINE
METHYLASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 TRP A 139
GLY A 141
PHE A 240
ILE A 255
TYR A 142
None
1.26A 4rtsA-3nbuA:
undetectable
4rtsA-3nbuA:
22.10
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.
4XEY_B_1N1B601_2
(TYROSINE-PROTEIN
KINASE ABL1)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 MET A  49
ASP A 402
PHE A 403
None
1.03A 4xeyB-3nbuA:
undetectable
4xeyB-3nbuA:
21.35
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.
5B1A_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.86A 5b1aC-3nbuA:
undetectable
5b1aJ-3nbuA:
undetectable
5b1aC-3nbuA:
18.63
5b1aJ-3nbuA:
8.47
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.
5B1A_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.83A 5b1aP-3nbuA:
undetectable
5b1aW-3nbuA:
undetectable
5b1aP-3nbuA:
18.63
5b1aW-3nbuA:
8.47
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.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.68A 5b1bP-3nbuA:
undetectable
5b1bW-3nbuA:
undetectable
5b1bP-3nbuA:
18.63
5b1bW-3nbuA:
8.47
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.
5B3S_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.84A 5b3sC-3nbuA:
undetectable
5b3sJ-3nbuA:
undetectable
5b3sC-3nbuA:
18.63
5b3sJ-3nbuA:
8.47
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.
5B3S_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.85A 5b3sP-3nbuA:
undetectable
5b3sP-3nbuA:
18.63
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 ILE A 486
ALA A 487
GLY A 296
GLY A 161
VAL A 165
None
1.16A 5i71A-3nbuA:
undetectable
5i71A-3nbuA:
21.42
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 ILE A 486
ALA A 487
GLY A 296
GLY A 161
VAL A 165
None
1.18A 5i75A-3nbuA:
undetectable
5i75A-3nbuA:
21.42
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 ILE A 486
ALA A 487
PHE A 345
SER A 481
GLY A 161
None
1.10A 5i75A-3nbuA:
undetectable
5i75A-3nbuA:
21.42
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.
5IGY_A_ERYA403_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 GLY A 186
PHE A 203
ALA A 222
SER A 158
ILE A 155
None
1.18A 5igyA-3nbuA:
undetectable
5igyA-3nbuA:
20.70
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.
5IH0_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 GLY A 186
PHE A 203
ALA A 222
SER A 158
ILE A 155
None
1.15A 5ih0A-3nbuA:
undetectable
5ih0A-3nbuA:
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 GLY A 268
GLY A 269
GLN A 507
None
0.41A 5imsA-3nbuA:
3.8
5imsA-3nbuA:
23.12
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.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 THR A 166
PHE A 203
ALA A 222
SER A 158
ILE A 155
None
1.26A 5iwuA-3nbuA:
undetectable
5iwuA-3nbuA:
20.70
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.
5IY5_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.84A 5iy5C-3nbuA:
undetectable
5iy5J-3nbuA:
undetectable
5iy5C-3nbuA:
18.44
5iy5J-3nbuA:
8.65
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.
5JGL_B_SAMB301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 ASP A  74
ASN A   3
PHE A  83
None
0.88A 5jglB-3nbuA:
undetectable
5jglB-3nbuA:
21.98
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 GLU A  86
LEU A  75
ALA A  78
SER A  81
PHE A 494
None
1.06A 5nd7B-3nbuA:
undetectable
5nd7B-3nbuA:
22.77
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.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 LYS A   1
LYS A  80
SER A  81
None
0.68A 5odiA-3nbuA:
2.8
5odiA-3nbuA:
22.70
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.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 GLY A 269
GLY A 278
GLY A 157
VAL A 282
PHE A 287
None
0.95A 5vimA-3nbuA:
undetectable
5vimA-3nbuA:
19.13
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.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
5 / 12 ILE A 493
ALA A 318
LEU A 488
ILE A 335
THR A 495
None
1.22A 5z6fA-3nbuA:
undetectable
5z6fA-3nbuA:
13.22
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.
5Z84_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.79A 5z84C-3nbuA:
undetectable
5z84J-3nbuA:
undetectable
5z84C-3nbuA:
18.63
5z84J-3nbuA:
8.47
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.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.80A 5z85C-3nbuA:
undetectable
5z85J-3nbuA:
undetectable
5z85C-3nbuA:
18.63
5z85J-3nbuA:
8.47
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.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.79A 5zcoC-3nbuA:
undetectable
5zcoJ-3nbuA:
undetectable
5zcoC-3nbuA:
18.63
5zcoJ-3nbuA:
8.47
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.79A 5zcqC-3nbuA:
undetectable
5zcqJ-3nbuA:
undetectable
5zcqC-3nbuA:
18.63
5zcqJ-3nbuA:
8.47
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.
5ZCQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 LEU A  15
GLN A  16
PHE A  19
LEU A  66
None
0.83A 5zcqP-3nbuA:
undetectable
5zcqW-3nbuA:
undetectable
5zcqP-3nbuA:
18.63
5zcqW-3nbuA:
8.47
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.
6BAA_E_GBME2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 LEU A 160
THR A 215
ASN A 218
None
0.71A 6baaE-3nbuA:
0.0
6baaE-3nbuA:
16.51
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.
6BAA_F_GBMF2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 LEU A 160
THR A 215
ASN A 218
None
0.71A 6baaF-3nbuA:
0.0
6baaF-3nbuA:
16.51
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.
6BAA_G_GBMG2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 LEU A 160
THR A 215
ASN A 218
None
0.72A 6baaG-3nbuA:
undetectable
6baaG-3nbuA:
16.51
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.
6BAA_H_GBMH2001_2
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 LEU A 160
THR A 215
ASN A 218
None
0.72A 6baaH-3nbuA:
undetectable
6baaH-3nbuA:
16.51
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.
6BOC_A_EU7A102_0
(MATRIX PROTEIN 2)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 6 SER A 158
ALA A 276
SER A 275
ALA A 206
None
0.80A 6bocA-3nbuA:
undetectable
6bocB-3nbuA:
undetectable
6bocC-3nbuA:
undetectable
6bocD-3nbuA:
undetectable
6bocA-3nbuA:
5.87
6bocB-3nbuA:
5.87
6bocC-3nbuA:
5.87
6bocD-3nbuA:
5.87
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.
6CNJ_A_NCTA402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 TYR A 370
TRP A  12
CYH A  73
LEU A  69
None
1.31A 6cnjA-3nbuA:
0.0
6cnjB-3nbuA:
0.0
6cnjA-3nbuA:
11.95
6cnjB-3nbuA:
9.26
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.
6CNJ_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 8 TYR A 370
TRP A  12
CYH A  73
LEU A  69
None
1.39A 6cnjD-3nbuA:
undetectable
6cnjE-3nbuA:
undetectable
6cnjD-3nbuA:
11.95
6cnjE-3nbuA:
9.26
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.
6CNK_B_NCTB402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
4 / 7 TYR A 370
TRP A  12
CYH A  73
LEU A  69
None
1.30A 6cnkB-3nbuA:
undetectable
6cnkC-3nbuA:
undetectable
6cnkB-3nbuA:
11.95
6cnkC-3nbuA:
9.26
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.
6ESM_A_PZEA307_1
(MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9)
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli)
3 / 3 TYR A 142
HIS A 239
PHE A 226
None
1.04A 6esmA-3nbuA:
undetectable
6esmA-3nbuA:
10.09