SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2d0o'

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.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 PRO A  78
GLY A 415
ASN A  11
GLY A  10
ASP A   8
None
ADP  A1001 (-3.6A)
ADP  A1001 (-4.4A)
ADP  A1001 (-3.3A)
MG  A1003 ( 4.1A)
1.04A 1ffyA-2d0oA:
undetectable
1ffyA-2d0oA:
21.45
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 GLY A 160
LEU A 179
LEU A 175
VAL A 171
LEU A 163
None
1.04A 1gseB-2d0oA:
undetectable
1gseB-2d0oA:
17.44
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.
1HRK_A_CHDA1503_0
(FERROCHELATASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
3 / 3 LEU A 508
PRO A 509
LEU A 512
None
0.40A 1hrkA-2d0oA:
2.9
1hrkA-2d0oA:
19.48
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.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ILE A 199
LEU A 163
ILE A 148
LEU A 133
PRO A 119
None
1.13A 1jolB-2d0oA:
undetectable
1jolB-2d0oA:
15.17
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.
1KYV_B_RBFB502_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 11 ILE A 411
LEU A 412
HIS A 434
GLY A 556
SER A 558
None
None
None
ADP  A1001 (-3.6A)
ADP  A1001 (-3.3A)
1.46A 1kyvA-2d0oA:
3.0
1kyvB-2d0oA:
3.0
1kyvA-2d0oA:
15.93
1kyvB-2d0oA:
15.93
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 VAL A 297
LEU A 266
LEU A 294
ILE A 359
LEU A 333
None
0.93A 1mx1D-2d0oA:
undetectable
1mx1D-2d0oA:
24.11
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.
1N4F_A_ASRA140_0
(LYSOZYME C)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
3 / 3 ASN A 173
ALA A 145
ASN A 149
None
0.83A 1n4fA-2d0oA:
undetectable
1n4fA-2d0oA:
13.08
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.
1P7L_C_SAMC685_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.82A 1p7lD-2d0oA:
undetectable
1p7lD-2d0oA:
22.91
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.
1P7L_C_SAMC885_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.81A 1p7lC-2d0oA:
undetectable
1p7lC-2d0oA:
22.91
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.
1RG9_A_SAMA385_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.83A 1rg9B-2d0oA:
undetectable
1rg9B-2d0oA:
22.91
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.
1RG9_B_SAMB485_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.83A 1rg9A-2d0oA:
undetectable
1rg9A-2d0oA:
22.91
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.
1RG9_C_SAMC585_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.83A 1rg9D-2d0oA:
undetectable
1rg9D-2d0oA:
22.91
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.
1RG9_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.83A 1rg9C-2d0oA:
undetectable
1rg9C-2d0oA:
22.91
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.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ILE A 284
ALA A 287
ILE A 329
ARG A 313
LEU A 309
None
0.98A 1rx2A-2d0oA:
undetectable
1rx2A-2d0oA:
15.17
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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ILE A 284
ALA A 287
ILE A 329
ARG A 313
LEU A 309
None
0.99A 1rx8A-2d0oA:
undetectable
1rx8A-2d0oA:
15.17
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.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
6 / 12 LEU A 179
GLN A 157
GLY A 112
ILE A 148
LEU A 133
GLY A 160
None
1.43A 1uakA-2d0oA:
undetectable
1uakA-2d0oA:
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 6 ALA A  17
SER A  32
ASN A 592
ILE A 584
None
0.89A 1yc2A-2d0oA:
undetectable
1yc2A-2d0oA:
19.50
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 5 ALA A  76
ASN A  74
ILE A   7
ASP A   8
None
None
None
MG  A1003 ( 4.1A)
1.18A 1yc2D-2d0oA:
undetectable
1yc2D-2d0oA:
19.50
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 7 ALA A  17
SER A  32
ASN A 592
ILE A 584
None
0.88A 1yc5A-2d0oA:
2.5
1yc5A-2d0oA:
18.54
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.
2F8G_B_017B401_1
(POL POLYPROTEIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ARG A 375
ASP A   8
GLY A 389
VAL A 385
ILE A  73
None
MG  A1003 ( 4.1A)
None
None
None
1.06A 2f8gA-2d0oA:
undetectable
2f8gA-2d0oA:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS2_A_017A201_2
(PROTEASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ARG A 375
ASP A   8
GLY A 389
VAL A 385
ILE A  73
None
MG  A1003 ( 4.1A)
None
None
None
1.05A 2hs2B-2d0oA:
undetectable
2hs2B-2d0oA:
9.74
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.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ALA A 536
LEU A 435
LEU A 333
GLY A 415
LEU A 414
None
None
None
ADP  A1001 (-3.6A)
None
1.08A 2jfaB-2d0oA:
undetectable
2jfaB-2d0oA:
18.82
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca;
Klebsiella
oxytoca)
4 / 8 ARG B  96
SER A 243
VAL A 169
GLY A 168
None
None
None
MG  A1005 ( 4.4A)
1.06A 2qd3A-2d0oB:
undetectable
2qd3A-2d0oB:
16.05
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.
2QE6_A_SAMA400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca;
Klebsiella
oxytoca)
3 / 3 ASN B  97
ARG B  96
ASP A 183
None
None
MG  A1005 (-2.7A)
0.86A 2qe6A-2d0oB:
undetectable
2qe6A-2d0oB:
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.
2QE6_B_SAMB400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca;
Klebsiella
oxytoca)
3 / 3 ASN B  97
ARG B  96
ASP A 183
None
None
MG  A1005 (-2.7A)
0.87A 2qe6B-2d0oB:
undetectable
2qe6B-2d0oB:
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ILE A 284
ALA A 287
ILE A 329
ARG A 313
LEU A 309
None
1.13A 3dauA-2d0oA:
undetectable
3dauA-2d0oA:
15.17
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 LEU A 381
ALA A  35
VAL A  16
GLY A   6
ALA A   5
None
1.02A 3ln1A-2d0oA:
undetectable
3ln1A-2d0oA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 LEU A 381
ALA A  35
VAL A  16
GLY A   6
ALA A   5
None
1.03A 3ln1B-2d0oA:
undetectable
3ln1B-2d0oA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 LEU A 381
ALA A  35
VAL A  16
GLY A   6
ALA A   5
None
1.01A 3ln1C-2d0oA:
undetectable
3ln1C-2d0oA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 LEU A 381
ALA A  35
VAL A  16
GLY A   6
ALA A   5
None
1.02A 3ln1D-2d0oA:
undetectable
3ln1D-2d0oA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A1000_2
(P38A)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca)
3 / 3 GLU B  30
LEU A 170
LEU A 179
None
0.72A 3ohtA-2d0oB:
undetectable
3ohtA-2d0oB:
15.28
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.
3OKX_A_SAMA201_1
(YAEB-LIKE PROTEIN
RPA0152)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 5 HIS A 434
ARG A 591
ASP A   8
THR A  77
None
ADP  A1001 (-3.3A)
MG  A1003 ( 4.1A)
None
0.98A 3okxA-2d0oA:
0.0
3okxA-2d0oA:
14.92
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.
3OKX_B_SAMB201_2
(YAEB-LIKE PROTEIN
RPA0152)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 5 HIS A 434
ARG A 591
ASP A   8
THR A  77
None
ADP  A1001 (-3.3A)
MG  A1003 ( 4.1A)
None
0.97A 3okxB-2d0oA:
1.2
3okxB-2d0oA:
14.92
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.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 7 LEU A 163
VAL A 135
VAL A 171
ASP A 140
None
0.96A 3rgfA-2d0oA:
undetectable
3rgfA-2d0oA:
22.02
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.
3SO9_A_017A100_1
(HIV-1 PROTEASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca)
5 / 8 ASN A 173
ASP A 167
GLY B  28
ILE B  29
THR A 105
None
None
None
None
MG  A1005 (-3.1A)
1.41A 3so9A-2d0oA:
undetectable
3so9A-2d0oA:
10.23
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.
3SUF_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 GLY A 346
VAL A 341
ILE A 231
ALA A 237
ALA A 235
None
1.02A 3sufD-2d0oA:
undetectable
3sufD-2d0oA:
14.58
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.
3U6T_A_KANA4699_1
(RIBOSOME
INACTIVATING PROTEIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 10 TYR A 215
ILE A 217
SER A 224
ILE A 231
ALA A 235
None
1.15A 3u6tA-2d0oA:
undetectable
3u6tA-2d0oA:
18.60
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.
3W1W_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
3 / 3 LEU A 508
PRO A 509
LEU A 512
None
0.48A 3w1wB-2d0oA:
2.6
3w1wB-2d0oA:
20.13
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 11 GLY A  81
ASP A 440
ALA A 416
GLY A 417
VAL A  83
None
None
ADP  A1001 (-3.3A)
None
None
1.31A 4c5lA-2d0oA:
undetectable
4c5lA-2d0oA:
21.43
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.
4C5L_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 9 GLY A  81
ASP A 440
ALA A 416
GLY A 417
VAL A  83
None
None
ADP  A1001 (-3.3A)
None
None
1.30A 4c5lB-2d0oA:
undetectable
4c5lB-2d0oA:
21.43
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 10 GLY A  81
ASP A 440
ALA A 416
GLY A 417
VAL A  83
None
None
ADP  A1001 (-3.3A)
None
None
1.35A 4c5lC-2d0oA:
2.0
4c5lC-2d0oA:
21.43
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.
4C5L_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 10 GLY A  81
ASP A 440
ALA A 416
GLY A 417
VAL A  83
None
None
ADP  A1001 (-3.3A)
None
None
1.32A 4c5lD-2d0oA:
2.0
4c5lD-2d0oA:
21.43
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 10 GLY A  81
ASP A 440
ALA A 416
GLY A 417
VAL A  83
None
None
ADP  A1001 (-3.3A)
None
None
1.32A 4c5nD-2d0oA:
undetectable
4c5nD-2d0oA:
21.43
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.
4EJJ_C_NCTC501_1
(CYTOCHROME P450 2A6)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 5 PHE A 221
ILE A 217
GLY A 216
THR A 210
None
0.99A 4ejjC-2d0oA:
undetectable
4ejjC-2d0oA:
22.08
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ILE A   9
LEU A 598
GLY A   6
VAL A 594
ALA A 593
None
1.17A 4foxD-2d0oA:
undetectable
4foxD-2d0oA:
18.46
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.
4G0U_B_ASWB1301_1
(DNA TOPOISOMERASE
2-BETA)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 7 ILE A 191
PRO A 192
GLY A 252
ALA A 197
None
0.95A 4g0uB-2d0oA:
undetectable
4g0uB-2d0oA:
21.79
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.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 7 ILE A 284
LEU A 264
ALA A 334
VAL A 335
None
0.67A 4g77A-2d0oA:
undetectable
4g77A-2d0oA:
20.00
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ASP A 440
ASP A 420
ASP A   8
ASN A  11
None
None
MG  A1003 ( 4.1A)
ADP  A1001 (-4.4A)
1.06A 4gkhC-2d0oA:
undetectable
4gkhK-2d0oA:
undetectable
4gkhC-2d0oA:
18.36
4gkhK-2d0oA:
18.36
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ASP A 440
ASP A 420
ASP A   8
ASN A  11
None
None
MG  A1003 ( 4.1A)
ADP  A1001 (-4.4A)
1.04A 4gkiE-2d0oA:
undetectable
4gkiG-2d0oA:
undetectable
4gkiE-2d0oA:
18.36
4gkiG-2d0oA:
18.36
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.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ILE A 284
ALA A 287
ILE A 329
ARG A 313
LEU A 309
None
1.10A 4kjkA-2d0oA:
undetectable
4kjkA-2d0oA:
15.17
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.
4KTT_C_SAMC404_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.90A 4kttD-2d0oA:
undetectable
4kttD-2d0oA:
22.33
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.
4LL3_A_017A201_1
(PROTEASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 8 ASP A 276
VAL A 275
GLY A 299
VAL A 288
ILE A 284
None
1.26A 4ll3A-2d0oA:
undetectable
4ll3A-2d0oA:
10.50
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.
4LL3_A_017A202_2
(PROTEASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 9 ASP A 276
VAL A 275
GLY A 299
VAL A 288
ILE A 284
None
1.24A 4ll3B-2d0oA:
undetectable
4ll3B-2d0oA:
10.50
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.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 5 THR A 118
LEU A 193
THR A  97
MET A  98
None
1.48A 4mbsB-2d0oA:
undetectable
4mbsB-2d0oA:
20.13
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.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.92A 4ndnB-2d0oA:
undetectable
4ndnB-2d0oA:
22.22
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.
4NDN_C_SAMC405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.93A 4ndnD-2d0oA:
undetectable
4ndnD-2d0oA:
22.22
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.
4NPT_A_017A401_1
(PROTEASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
6 / 9 ALA A 237
ILE A 217
ILE A 208
THR A  97
ILE A  93
VAL A 254
None
1.29A 4nptA-2d0oA:
undetectable
4nptA-2d0oA:
11.03
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.
4QVQ_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 9 ALA A 198
THR A 113
ALA A 197
ILE A 208
GLY A 110
None
1.13A 4qvqK-2d0oA:
undetectable
4qvqL-2d0oA:
undetectable
4qvqK-2d0oA:
16.70
4qvqL-2d0oA:
17.54
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.
4QVQ_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 9 ALA A 198
THR A 113
ALA A 197
ILE A 208
GLY A 110
None
1.13A 4qvqY-2d0oA:
undetectable
4qvqZ-2d0oA:
undetectable
4qvqY-2d0oA:
16.70
4qvqZ-2d0oA:
17.54
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 6 ASP A   8
LYS A  41
THR A  14
THR A  37
MG  A1003 ( 4.1A)
None
None
None
1.33A 4w5qA-2d0oA:
6.4
4w5qA-2d0oA:
22.64
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 6 ASP A   8
LYS A  41
THR A  14
THR A  37
MG  A1003 ( 4.1A)
None
None
None
1.34A 4w5tA-2d0oA:
4.2
4w5tA-2d0oA:
22.64
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.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 ALA B  54
THR B  98
ALA B 102
VAL B 106
ILE B  29
None
0.95A 4x20B-2d0oB:
undetectable
4x20B-2d0oB:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0S_A_PX9A201_0
(BETA-LACTOGLOBULIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 LEU A 332
ILE A 359
VAL A 277
VAL A 275
LEU A 266
None
0.98A 4y0sA-2d0oA:
undetectable
4y0sA-2d0oA:
15.10
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 6 ASP A   8
LYS A  41
THR A  14
THR A  37
MG  A1003 ( 4.1A)
None
None
None
1.32A 4z4cA-2d0oA:
3.7
4z4cA-2d0oA:
22.64
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 6 ASP A   8
LYS A  41
THR A  14
THR A  37
MG  A1003 ( 4.1A)
None
None
None
1.31A 4z4fA-2d0oA:
4.1
4z4fA-2d0oA:
22.64
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.
4Z4I_A_IPHA904_0
(PROTEIN ARGONAUTE-2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 6 ASP A   8
LYS A  41
THR A  14
THR A  37
MG  A1003 ( 4.1A)
None
None
None
1.31A 4z4iA-2d0oA:
4.2
4z4iA-2d0oA:
22.53
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.
4Z90_A_4LEA401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 8 LEU A 537
LEU A 572
LEU A 554
LEU A 412
ALA A 410
None
1.11A 4z90A-2d0oA:
undetectable
4z90B-2d0oA:
undetectable
4z90C-2d0oA:
undetectable
4z90D-2d0oA:
undetectable
4z90E-2d0oA:
1.7
4z90A-2d0oA:
20.41
4z90B-2d0oA:
20.41
4z90C-2d0oA:
20.41
4z90D-2d0oA:
20.41
4z90E-2d0oA:
20.41
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.
4Z90_A_4LEA401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 8 LEU A 554
LEU A 412
ALA A 410
LEU A 537
LEU A 572
None
1.13A 4z90A-2d0oA:
undetectable
4z90B-2d0oA:
undetectable
4z90C-2d0oA:
undetectable
4z90D-2d0oA:
undetectable
4z90E-2d0oA:
1.7
4z90A-2d0oA:
20.41
4z90B-2d0oA:
20.41
4z90C-2d0oA:
20.41
4z90D-2d0oA:
20.41
4z90E-2d0oA:
20.41
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.
5DQY_A_BEZA401_0
(THIOREDOXIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 LYS A 380
VAL A 385
GLN A  51
GLU A 376
None
0.89A 5dqyA-2d0oA:
undetectable
5dqyA-2d0oA:
11.62
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 LEU A 381
ALA A  35
VAL A  16
GLY A   6
ALA A   5
None
1.00A 5jw1A-2d0oA:
undetectable
5jw1A-2d0oA:
21.26
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.
5MVM_A_PFLA510_1
(PROTON-GATED ION
CHANNEL)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 9 ILE A 445
ILE A 520
ILE A 461
ALA A 447
LEU A 450
None
1.07A 5mvmA-2d0oA:
undetectable
5mvmE-2d0oA:
undetectable
5mvmA-2d0oA:
8.13
5mvmE-2d0oA:
8.13
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.
5MVM_A_PFLA511_1
(PROTON-GATED ION
CHANNEL)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ILE A 430
ALA A 392
ALA A 410
ILE A 411
None
0.75A 5mvmA-2d0oA:
undetectable
5mvmB-2d0oA:
undetectable
5mvmA-2d0oA:
8.13
5mvmB-2d0oA:
8.13
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.
5T8S_B_SAMB402_0
(S-ADENOSYLMETHIONINE
SYNTHASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 8 ALA A 579
ASP A 548
ILE A 549
ILE A 423
None
0.88A 5t8sA-2d0oA:
undetectable
5t8sA-2d0oA:
24.39
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.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
6 / 12 GLY A 415
GLY A  81
GLY A 439
VAL A 312
ILE A  80
LYS A  41
ADP  A1001 (-3.6A)
None
ADP  A1001 (-3.4A)
None
None
None
1.27A 5vimA-2d0oA:
undetectable
5vimA-2d0oA:
19.25
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.
5VIM_B_SAMB301_0
(METHYLTRANSFERASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
6 / 12 GLY A 415
GLY A  81
GLY A 439
VAL A 312
ILE A  80
LYS A  41
ADP  A1001 (-3.6A)
None
ADP  A1001 (-3.4A)
None
None
None
1.29A 5vimB-2d0oA:
undetectable
5vimB-2d0oA:
19.25
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.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 5 VAL A 203
ARG A 242
PRO A 106
GLY A 107
None
1.17A 5x80A-2d0oA:
2.2
5x80B-2d0oA:
undetectable
5x80A-2d0oA:
15.08
5x80B-2d0oA:
15.08
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.
5X80_D_SALD201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 5 PRO A 106
GLY A 107
VAL A 203
ARG A 242
None
1.16A 5x80C-2d0oA:
2.6
5x80D-2d0oA:
1.8
5x80C-2d0oA:
15.08
5x80D-2d0oA:
15.08
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca;
Klebsiella
oxytoca)
3 / 3 ALA A 495
VAL B  61
TYR B  74
None
0.71A 5zmqH-2d0oA:
undetectable
5zmqH-2d0oA:
15.50
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
5 / 12 LEU A 600
GLY A 597
VAL A  57
VAL A  16
ASP A   8
None
None
None
None
MG  A1003 ( 4.1A)
1.04A 6bxlB-2d0oA:
undetectable
6bxlB-2d0oA:
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.
6EW0_G_TA1G501_2
(TUBULIN BETA CHAIN)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT
DIOL
DEHYDRATASE-REACTIVA
TING FACTOR SMALL
SUBUNIT

(Klebsiella
oxytoca)
4 / 6 LEU A 353
LEU A 450
ARG A 496
ARG B 112
None
0.99A 6ew0G-2d0oA:
undetectable
6ew0G-2d0oA:
8.98
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.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 6 ALA A  53
SER A  13
GLY A  10
ILE A 373
None
ADP  A1001 (-2.6A)
ADP  A1001 (-3.3A)
None
0.88A 6f8cA-2d0oA:
undetectable
6f8cA-2d0oA:
8.76
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.
6FK2_A_SORA302_0
(GALECTIN-3)
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca)
4 / 4 ARG A 518
GLU A 478
GLU A 563
ARG A 521
None
1.13A 6fk2A-2d0oA:
undetectable
6fk2A-2d0oA:
12.82