SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bfj'

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.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 HIS A 281
HIS A 267
THR A 201
HIS A 202
 FE2  A1388 (-3.6A)
FE2  A1388 (-3.2A)
None
FE2  A1388 (-3.4A)
 0.96A 1bzmA-3bfjA:
undetectable		 1bzmA-3bfjA:
21.89
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.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 ARG A  60
GLY A  50
ALA A  51
VAL A  99
GLY A  43
 None
 0.87A 2avvD-3bfjA:
undetectable		 2avvD-3bfjA:
14.32
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.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A 102
GLY A 196
ALA A 199
HIS A 202
ALA A 254
 None
None
None
FE2  A1388 (-3.4A)
None
 0.97A 2bm9F-3bfjA:
undetectable		 2bm9F-3bfjA:
20.78
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.
2F16_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 11 ALA A 257
ALA A 144
GLY A 145
THR A 146
ALA A 147
 None
 0.96A 2f16H-3bfjA:
undetectable
2f16I-3bfjA:
undetectable		 2f16H-3bfjA:
20.82
2f16I-3bfjA:
20.10
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.
2F16_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 11 ALA A 257
ALA A 144
GLY A 145
THR A 146
ALA A 147
 None
 0.96A 2f16V-3bfjA:
undetectable
2f16W-3bfjA:
undetectable		 2f16V-3bfjA:
20.82
2f16W-3bfjA:
20.10
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.
2WA2_B_SAMB1267_0
(NON-STRUCTURAL
PROTEIN 5)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 GLY A 108
GLY A 100
THR A 142
LEU A 183
ILE A 178
 None
 1.00A 2wa2B-3bfjA:
2.1		 2wa2B-3bfjA:
21.27
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.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.71A 2y69A-3bfjA:
2.0		 2y69A-3bfjA:
21.80
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.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.76A 2y69N-3bfjA:
undetectable		 2y69N-3bfjA:
21.80
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 ASP A  70
PHE A  69
LEU A  37
 None
 0.73A 2zi9A-3bfjA:
undetectable		 2zi9A-3bfjA:
19.24
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_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 2zxwA-3bfjA:
undetectable		 2zxwA-3bfjA:
21.80
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.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.73A 3abkA-3bfjA:
undetectable		 3abkA-3bfjA:
21.80
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.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.69A 3abkN-3bfjA:
2.4		 3abkN-3bfjA:
21.80
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.
3ABL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.77A 3ablA-3bfjA:
undetectable		 3ablA-3bfjA:
21.80
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.
3ABM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 3abmA-3bfjA:
undetectable		 3abmA-3bfjA:
21.80
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_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.74A 3ag1A-3bfjA:
2.3		 3ag1A-3bfjA:
21.80
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_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 3ag1N-3bfjA:
undetectable		 3ag1N-3bfjA:
21.80
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_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.69A 3ag2A-3bfjA:
undetectable		 3ag2A-3bfjA:
21.80
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_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.73A 3ag2N-3bfjA:
undetectable		 3ag2N-3bfjA:
21.80
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.
3AG3_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.74A 3ag3A-3bfjA:
undetectable		 3ag3A-3bfjA:
21.80
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.
3AG3_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.74A 3ag3N-3bfjA:
1.7		 3ag3N-3bfjA:
21.80
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_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 3ag4A-3bfjA:
undetectable		 3ag4A-3bfjA:
21.80
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_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.74A 3asnA-3bfjA:
2.0		 3asnA-3bfjA:
21.80
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_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 3asnN-3bfjA:
2.0		 3asnN-3bfjA:
21.80
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.
3ASO_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 3asoA-3bfjA:
undetectable		 3asoA-3bfjA:
21.80
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.
3ASO_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.76A 3asoN-3bfjA:
undetectable		 3asoN-3bfjA:
21.80
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.
3BVD_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.76A 3bvdA-3bfjA:
undetectable		 3bvdA-3bfjA:
21.64
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.
3DTU_A_CUA1023_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.73A 3dtuA-3bfjA:
undetectable		 3dtuA-3bfjA:
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.
3DTU_C_CUC569_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.74A 3dtuC-3bfjA:
undetectable		 3dtuC-3bfjA:
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.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 ASP A 337
ILE A 338
VAL A 235
GLN A 233
 None
 0.80A 3fi0B-3bfjA:
undetectable		 3fi0B-3bfjA:
23.48
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.
3FI0_G_TRPG1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 ASP A 337
ILE A 338
VAL A 235
GLN A 233
 None
 0.73A 3fi0G-3bfjA:
undetectable		 3fi0G-3bfjA:
23.48
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.
3FI0_I_TRPI1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 8 ASP A 337
ILE A 338
VAL A 235
GLN A 233
 None
 0.81A 3fi0I-3bfjA:
undetectable		 3fi0I-3bfjA:
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.
3MG0_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 11 ALA A 257
ALA A 144
GLY A 145
THR A 146
ALA A 147
 None
 0.92A 3mg0V-3bfjA:
undetectable
3mg0W-3bfjA:
undetectable		 3mg0V-3bfjA:
20.82
3mg0W-3bfjA:
20.10
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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 LEU A 263
ASP A 198
HIS A 281
HIS A 267
ALA A 254
 None
FE2  A1388 (-2.6A)
FE2  A1388 (-3.6A)
FE2  A1388 (-3.2A)
None
 1.24A 3r2jC-3bfjA:
4.2		 3r2jC-3bfjA:
21.28
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.76A 3s33A-3bfjA:
0.7		 3s33A-3bfjA:
21.69
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.76A 3s39A-3bfjA:
undetectable		 3s39A-3bfjA:
21.69
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.78A 3s3aA-3bfjA:
undetectable		 3s3aA-3bfjA:
21.69
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.78A 3s3cA-3bfjA:
undetectable		 3s3cA-3bfjA:
21.69
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.74A 3s3dA-3bfjA:
undetectable		 3s3dA-3bfjA:
21.69
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 PHE A 368
LYS A 210
SER A 209
 None
 0.83A 3tyeB-3bfjA:
2.4		 3tyeB-3bfjA:
21.59
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.
3WG7_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 3wg7N-3bfjA:
2.0		 3wg7N-3bfjA:
21.80
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		6 / 9 ALA A 228
ILE A 224
VAL A 204
ALA A 327
ALA A 308
ILE A 307
 None
 1.26A 4lbgB-3bfjA:
3.3		 4lbgB-3bfjA:
23.39
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.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 ILE A 379
HIS A 281
TYR A 277
VAL A 349
 None
FE2  A1388 (-3.6A)
None
None
 1.10A 4s0vA-3bfjA:
2.7		 4s0vA-3bfjA:
20.27
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.
4S0V_A_SUVA2001_2
(HUMAN OREXIN
RECEPTOR TYPE 2
FUSION PROTEIN TO P.
ABYSII GLYCOGEN
SYNTHASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 5 ILE A 382
HIS A 281
TYR A 277
VAL A 349
 None
FE2  A1388 (-3.6A)
None
None
 1.08A 4s0vA-3bfjA:
2.7		 4s0vA-3bfjA:
20.27
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_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 5b1aA-3bfjA:
undetectable		 5b1aA-3bfjA:
21.80
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_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.71A 5b1bA-3bfjA:
undetectable		 5b1bA-3bfjA:
21.80
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_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 5b1bN-3bfjA:
undetectable		 5b1bN-3bfjA:
21.80
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_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.69A 5b3sA-3bfjA:
2.0		 5b3sA-3bfjA:
21.80
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_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.71A 5b3sN-3bfjA:
undetectable		 5b3sN-3bfjA:
21.80
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_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.72A 5iy5A-3bfjA:
2.1		 5iy5A-3bfjA:
21.80
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_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.74A 5iy5N-3bfjA:
2.0		 5iy5N-3bfjA:
21.80
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 ALA A 203
HIS A 202
LEU A 200
ALA A 199
THR A 195
 None
FE2  A1388 (-3.4A)
None
None
None
 1.08A 5k9dA-3bfjA:
undetectable		 5k9dA-3bfjA:
24.06
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 202
ASP A 198
HIS A 281
 FE2  A1388 (-3.4A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.6A)
 0.78A 5oexA-3bfjA:
undetectable		 5oexA-3bfjA:
22.18
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.
5OEX_A_CUA601_0
(THIOCYANATE
DEHYDROGENASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 281
ASP A 198
HIS A 202
 FE2  A1388 (-3.6A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.4A)
 0.47A 5oexA-3bfjA:
undetectable		 5oexA-3bfjA:
22.18
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 281
ASP A 198
HIS A 202
 FE2  A1388 (-3.6A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.4A)
 0.42A 5oexB-3bfjA:
undetectable		 5oexB-3bfjA:
22.18
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 202
ASP A 198
HIS A 281
 FE2  A1388 (-3.4A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.6A)
 0.77A 5oexC-3bfjA:
undetectable		 5oexC-3bfjA:
22.18
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 281
ASP A 198
HIS A 202
 FE2  A1388 (-3.6A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.4A)
 0.41A 5oexC-3bfjA:
undetectable		 5oexC-3bfjA:
22.18
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 202
ASP A 198
HIS A 281
 FE2  A1388 (-3.4A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.6A)
 0.76A 5oexD-3bfjA:
undetectable		 5oexD-3bfjA:
22.18
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 281
ASP A 198
HIS A 202
 FE2  A1388 (-3.6A)
FE2  A1388 (-2.6A)
FE2  A1388 (-3.4A)
 0.44A 5oexD-3bfjA:
undetectable		 5oexD-3bfjA:
22.18
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.
5OSP_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 VAL A  97
ILE A  95
VAL A  66
ALA A  36
 None
 0.60A 5ospA-3bfjA:
undetectable		 5ospA-3bfjA:
21.76
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.
5OSR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 7 VAL A  97
ILE A  95
VAL A  66
ALA A  36
 None
 0.62A 5osrA-3bfjA:
undetectable		 5osrA-3bfjA:
21.76
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 ASP A 217
ILE A 315
ALA A 329
THR A 332
ALA A 293
 None
 1.23A 5vcgA-3bfjA:
undetectable		 5vcgA-3bfjA:
21.18
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.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.68A 5waua-3bfjA:
2.5		 5waua-3bfjA:
21.80
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_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.69A 5x19A-3bfjA:
undetectable		 5x19A-3bfjA:
21.80
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_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.69A 5x19N-3bfjA:
undetectable		 5x19N-3bfjA:
21.80
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.
5X1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.67A 5x1bA-3bfjA:
undetectable		 5x1bA-3bfjA:
21.80
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.
5X1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.63A 5x1bN-3bfjA:
undetectable		 5x1bN-3bfjA:
21.80
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.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.73A 5x1fA-3bfjA:
2.1		 5x1fA-3bfjA:
21.80
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.
5XDQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.73A 5xdqA-3bfjA:
2.1		 5xdqA-3bfjA:
21.80
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.
5XDQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 5xdqN-3bfjA:
1.5		 5xdqN-3bfjA:
21.80
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.
5XDX_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.70A 5xdxA-3bfjA:
1.6		 5xdxA-3bfjA:
21.80
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.
5XDX_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.72A 5xdxN-3bfjA:
1.6		 5xdxN-3bfjA:
21.80
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.
6EUQ_A_DXCA502_0
(MULTIDRUG
TRANSPORTER MDFA)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 11 ASN A 285
LEU A 288
GLN A 342
GLY A 339
LEU A 273
 FE2  A1388 (-4.3A)
None
None
None
None
 1.45A 6euqA-3bfjA:
0.0		 6euqA-3bfjA:
22.65
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.71A 6giqa-3bfjA:
undetectable		 6giqa-3bfjA:
22.18
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.
6GTQ_A_ACTA205_0
(N-ACETYLTRANSFERASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 4 ALA A 203
ALA A 206
ALA A 220
ALA A 223
 None
 0.62A 6gtqA-3bfjA:
undetectable
6gtqB-3bfjA:
undetectable		 6gtqA-3bfjA:
19.02
6gtqB-3bfjA:
19.02
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.
6GTQ_A_ACTA205_0
(N-ACETYLTRANSFERASE)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		4 / 4 ALA A 220
ALA A 223
ALA A 203
ALA A 206
 None
 0.62A 6gtqA-3bfjA:
undetectable
6gtqB-3bfjA:
undetectable		 6gtqA-3bfjA:
19.02
6gtqB-3bfjA:
19.02
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.
6HU9_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.69A 6hu9a-3bfjA:
undetectable		 6hu9a-3bfjA:
22.18
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.
6HU9_M_CUM601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 6hu9m-3bfjA:
undetectable		 6hu9m-3bfjA:
22.18
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.
6HUP_B_DZPB502_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT BETA-3)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 11 LEU A 273
MET A 279
MET A 197
ASN A 285
LEU A 289
 None
None
None
FE2  A1388 (-4.3A)
None
 1.21A 6hupA-3bfjA:
undetectable
6hupB-3bfjA:
undetectable		 6hupA-3bfjA:
11.81
6hupB-3bfjA:
12.77
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.
6HWD_H_BO2H301_0
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 12 ALA A 257
ALA A 144
GLY A 145
THR A 146
ALA A 147
 None
 0.97A 6hwdH-3bfjA:
undetectable
6hwdI-3bfjA:
undetectable		 6hwdH-3bfjA:
14.94
6hwdI-3bfjA:
12.99
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.
6HWD_V_BO2V301_0
(PROTEASOME SUBUNIT
BETA TYPE-2)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		5 / 11 ALA A 257
ALA A 144
GLY A 145
THR A 146
ALA A 147
 None
 0.97A 6hwdV-3bfjA:
undetectable		 6hwdV-3bfjA:
14.94
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.
6NKN_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.71A 6nknA-3bfjA:
undetectable		 6nknA-3bfjA:
21.80
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.
6NKN_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.72A 6nknN-3bfjA:
undetectable		 6nknN-3bfjA:
21.80
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.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.67A 6nmfA-3bfjA:
undetectable		 6nmfA-3bfjA:
21.80
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.
6NMF_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.71A 6nmfN-3bfjA:
undetectable		 6nmfN-3bfjA:
21.80
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.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.72A 6nmpA-3bfjA:
undetectable		 6nmpA-3bfjA:
21.80
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.
6NMP_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 3bfj 1,3-PROPANEDIOL
OXIDOREDUCTASE
(Klebsiella
pneumoniae) 		3 / 3 HIS A 267
HIS A 281
HIS A 271
 FE2  A1388 (-3.2A)
FE2  A1388 (-3.6A)
None
 0.75A 6nmpN-3bfjA:
undetectable		 6nmpN-3bfjA:
21.80