SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'NH4'


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.
1BDW_B_DVAB8_0
(GRAMICIDIN A)		 5jx5 GLUCANASE
(Orpinomyces
sp.
Y102) 		3 / 3 VAL A 400
VAL A 327
TRP A 401
 None
NH4  A 516 (-3.6A)
None
 0.96A 1bdwA-5jx5A:
undetectable
1bdwB-5jx5A:
undetectable		 1bdwA-5jx5A:
5.47
1bdwB-5jx5A:
5.47
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.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		 3e0u GLUTATHIONE
PEROXIDASE
(Trypanosoma
cruzi) 		4 / 8 PHE A  75
MET A 106
THR A  71
LEU A  39
 NH4  A   1 (-4.7A)
None
None
None
 1.28A 1ea1A-3e0uA:
undetectable		 1ea1A-3e0uA:
16.18
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.
1EI6_D_PPFD412_1
(PHOSPHONOACETATE
HYDROLASE)		 3btp PROTEIN VIRE1
SINGLE-STRAND
DNA-BINDING PROTEIN
(Agrobacterium
fabrum) 		4 / 8 PHE B  36
THR B  37
HIS A 315
ILE B  44
 NH4  B 602 ( 4.6A)
None
None
None
 0.99A 1ei6D-3btpB:
undetectable		 1ei6D-3btpB:
10.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FAP_A_RAPA108_2
(FK506-BINDING
PROTEIN
FRAP)		 3d9i RNA-BINDING PROTEIN
16
(Homo
sapiens) 		4 / 8 SER A  73
ARG A  74
PHE A  77
GLY A  78
 NH4  A 304 (-2.6A)
None
NH4  A 304 ( 4.1A)
None
 1.08A 1fapB-3d9iA:
undetectable		 1fapB-3d9iA:
16.00
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.
1KIA_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 212
VAL A 216
ALA A 208
SER A 444
HIS A 348
 None
None
6NA  A1460 (-3.4A)
NH4  A1461 ( 4.4A)
None
 1.35A 1kiaD-2iwzA:
undetectable		 1kiaD-2iwzA:
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.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 212
VAL A 216
ALA A 208
SER A 444
HIS A 348
 None
None
6NA  A1460 (-3.4A)
NH4  A1461 ( 4.4A)
None
 1.33A 1nbhA-2iwzA:
undetectable		 1nbhA-2iwzA:
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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 212
VAL A 216
ALA A 208
SER A 444
HIS A 348
 None
None
6NA  A1460 (-3.4A)
NH4  A1461 ( 4.4A)
None
 1.33A 1nbhC-2iwzA:
undetectable		 1nbhC-2iwzA:
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.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens) 		5 / 12 GLY A 212
VAL A 216
ALA A 208
SER A 444
HIS A 348
 None
None
6NA  A1460 (-3.4A)
NH4  A1461 ( 4.4A)
None
 1.34A 1nbhD-2iwzA:
undetectable		 1nbhD-2iwzA:
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.
1SKX_A_RFPA1_2
(ORPHAN NUCLEAR
RECEPTOR PXR)		 1kbl PYRUVATE PHOSPHATE
DIKINASE
([Clostridium]
symbiosum) 		4 / 5 LYS A 678
PHE A 626
LEU A 591
LEU A 707
 None
None
None
NH4  A 901 ( 4.3A)
 1.08A 1skxA-1kblA:
0.0		 1skxA-1kblA:
15.77
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		8 / 12 ALA A 192
LYS A 194
GLU A 236
LEU A 240
VAL A 249
GLY A 273
LEU A 319
ASP A 330
 BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
NH4  A 506 (-3.0A)
None
None
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
None
 1.01A 1t46A-6bqlA:
21.8		 1t46A-6bqlA:
11.76
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		8 / 12 VAL A 179
ALA A 192
LYS A 194
GLU A 236
VAL A 249
GLY A 273
LEU A 319
ASP A 330
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
NH4  A 506 (-3.0A)
None
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
None
 1.07A 1t46A-6bqlA:
21.8		 1t46A-6bqlA:
11.76
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.
1WRK_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 3e0u GLUTATHIONE
PEROXIDASE
(Trypanosoma
cruzi) 		5 / 9 PHE A  75
VAL A  21
LEU A  31
MET A 123
LEU A  73
 NH4  A   1 (-4.7A)
NH4  A   1 (-4.0A)
None
None
None
 1.05A 1wrkA-3e0uA:
undetectable
1wrkB-3e0uA:
undetectable		 1wrkA-3e0uA:
19.61
1wrkB-3e0uA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X1A_A_SAMA4264_0
(CRTF-RELATED PROTEIN)		 2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens) 		5 / 12 GLU A 394
HIS A 348
ALA A 452
GLY A 388
GLY A 391
 NH4  A1461 (-3.7A)
None
None
None
None
 1.08A 1x1aA-2iwzA:
undetectable		 1x1aA-2iwzA:
24.42
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.
2CIZ_A_ACTA1320_0
(CHLOROPEROXIDASE)		 2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens) 		4 / 6 ALA A 382
VAL A 393
GLU A 394
PHE A 397
 None
None
NH4  A1461 (-3.7A)
None
 0.90A 2cizA-2iwzA:
undetectable		 2cizA-2iwzA:
21.60
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 ILE A 171
VAL A 179
LYS A 194
VAL A 249
PHE A 267
VAL A 270
LEU A 319
 BI9  A 501 (-4.0A)
BI9  A 501 ( 4.8A)
NH4  A 506 ( 4.4A)
None
BI9  A 501 ( 4.2A)
BI9  A 501 (-4.0A)
BI9  A 501 (-4.7A)
 0.87A 2eufB-6bqlA:
27.1		 2eufB-6bqlA:
13.64
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		8 / 12 VAL A 179
LYS A 194
VAL A 249
PHE A 267
VAL A 270
ASN A 317
LEU A 319
ALA A 329
 BI9  A 501 ( 4.8A)
NH4  A 506 ( 4.4A)
None
BI9  A 501 ( 4.2A)
BI9  A 501 (-4.0A)
BI9  A 501 (-4.5A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.93A 2eufB-6bqlA:
27.1		 2eufB-6bqlA:
13.64
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 VAL A 249
PHE A 267
VAL A 270
ASN A 317
LEU A 319
ALA A 329
ASP A 330
 None
BI9  A 501 ( 4.2A)
BI9  A 501 (-4.0A)
BI9  A 501 (-4.5A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.84A 2eufB-6bqlA:
27.1		 2eufB-6bqlA:
13.64
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.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		 6eu6 AMMONIUM TRANSPORTER
(Candidatus
Kuenenia
stuttgartiensis) 		4 / 6 SER A  54
ASP A  50
SER A  55
VAL A 102
 None
NH4  A 505 (-2.8A)
None
None
 1.21A 2hdnI-6eu6A:
undetectable
2hdnJ-6eu6A:
undetectable
2hdnL-6eu6A:
undetectable		 2hdnI-6eu6A:
15.79
2hdnJ-6eu6A:
12.46
2hdnL-6eu6A:
12.46
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.
2HDN_L_TACL6888_1
(ELONGATION FACTOR
EF-TU)		 6eu6 AMMONIUM TRANSPORTER
(Candidatus
Kuenenia
stuttgartiensis) 		4 / 6 SER A  55
VAL A 102
SER A  54
ASP A  50
 None
None
None
NH4  A 505 (-2.8A)
 1.10A 2hdnJ-6eu6A:
undetectable
2hdnK-6eu6A:
undetectable
2hdnL-6eu6A:
undetectable		 2hdnJ-6eu6A:
12.46
2hdnK-6eu6A:
15.79
2hdnL-6eu6A:
12.46
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.
2QD2_A_CHDA2_0
(FERROCHELATASE)		 2qar E80-TELSAM DOMAIN
TELSAM DOMAIN
(Escherichia
coli;
Escherichia
coli) 		4 / 8 LEU A  85
ARG A  73
SER A  98
VAL B  80
 NH4  A 201 (-4.9A)
None
None
None
 1.15A 2qd2A-2qarA:
undetectable		 2qd2A-2qarA:
12.39
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.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		 2a18 CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN
CCMK HOMOLOG 4
(Synechocystis
sp.
PCC
6803) 		5 / 11 ALA A  72
THR A  12
ILE A  18
ALA A  65
ALA A  21
 NH4  A 126 (-4.3A)
None
None
None
None
 1.17A 2qhfA-2a18A:
undetectable		 2qhfA-2a18A:
17.89
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.
2QX6_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		4 / 6 TRP A 148
GLY A 221
GLY A 277
PHE A 107
 NH4  A 404 (-3.9A)
None
None
NH4  A 404 (-3.9A)
 0.94A 2qx6A-1u7gA:
undetectable
2qx6B-1u7gA:
undetectable		 2qx6A-1u7gA:
20.58
2qx6B-1u7gA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_A_ASDA1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		 4jzy CRYPTOCHROME-1
(Drosophila
melanogaster) 		4 / 7 PHE A 272
PRO A 205
LEU A  61
PHE A  42
 None
NH4  A 602 ( 4.9A)
None
None
 1.01A 2vcvA-4jzyA:
undetectable		 2vcvA-4jzyA:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.60A 2zj0A-4lvcA:
59.2		 2zj0A-4lvcA:
58.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 LEU A  57
GLN A  62
THR A  63
THR A 198
HIS A 342
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.31A 2zj0B-4lvcA:
59.3		 2zj0B-4lvcA:
58.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 LEU A  57
GLN A  62
THR A  63
THR A 198
HIS A 342
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.24A 2zj0C-4lvcA:
59.2		 2zj0C-4lvcA:
58.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 LEU A  57
GLN A  62
THR A  63
THR A 198
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
 0.22A 2zj0D-4lvcA:
59.2		 2zj0D-4lvcA:
58.80
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 10 ALA A 192
LYS A 194
VAL A 249
LEU A 269
GLY A 273
LEU A 319
 BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
None
BI9  A 501 (-4.4A)
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
 0.48A 3aoxA-6bqlA:
22.3		 3aoxA-6bqlA:
13.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.59A 3ce6A-4lvcA:
61.1		 3ce6A-4lvcA:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_B_ADNB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 LEU A  57
GLN A  62
THR A  63
THR A 198
HIS A 342
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.18A 3ce6B-4lvcA:
59.7		 3ce6B-4lvcA:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.62A 3ce6C-4lvcA:
59.7		 3ce6C-4lvcA:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 LEU A  57
GLN A  62
THR A  63
HIS A 342
LEU A 383
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.61A 3ce6D-4lvcA:
59.7		 3ce6D-4lvcA:
58.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_A_ADNA438_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.20A 3g1uA-4lvcA:
57.7		 3g1uA-4lvcA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		12 / 12 LEU A  57
HIS A  58
THR A  60
GLN A  62
ASP A 135
THR A 198
LEU A 383
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.40A 3g1uB-4lvcA:
57.7		 3g1uB-4lvcA:
60.17
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.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
(Klebsiella
oxytoca) 		4 / 5 GLN A 169
THR A 199
THR A 222
HIS A 143
 None
None
NH4  A2605 (-4.2A)
PGO  A2602 (-4.0A)
 1.13A 3g1uC-1uc4A:
undetectable		 3g1uC-1uc4A:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_C_ADNC438_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
HIS A 392
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.5A)
 0.20A 3g1uC-4lvcA:
57.5		 3g1uC-4lvcA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G1U_D_ADND438_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
GLU A 197
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.7A)
 0.22A 3g1uD-4lvcA:
58.0		 3g1uD-4lvcA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
GLU A 197
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.43A 3glqA-4lvcA:
61.3		 3glqA-4lvcA:
65.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
GLU A 197
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.18A 3glqB-4lvcA:
61.3		 3glqB-4lvcA:
65.45
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.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 VAL A 179
ALA A 192
ILE A 239
VAL A 249
LEU A 319
ALA A 329
ASP A 330
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
None
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.96A 3gvuA-6bqlA:
22.1		 3gvuA-6bqlA:
15.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_A_ADNA439_1
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		10 / 10 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.11A 3h9uA-4lvcA:
57.6		 3h9uA-4lvcA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		10 / 10 HIS A  58
THR A  60
GLN A  62
THR A  63
ASN A 385
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.17A 3h9uB-4lvcA:
57.5		 3h9uB-4lvcA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		10 / 10 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.12A 3h9uC-4lvcA:
57.7		 3h9uC-4lvcA:
58.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		10 / 10 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.14A 3h9uD-4lvcA:
57.8		 3h9uD-4lvcA:
58.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 12 ALA A 192
VAL A 249
HIS A 310
LEU A 319
ALA A 329
ASP A 330
 BI9  A 501 (-3.3A)
None
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.86A 3ik3A-6bqlA:
21.8		 3ik3A-6bqlA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_B_0LIB2_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		5 / 12 ALA A 192
VAL A 249
HIS A 310
LEU A 319
ALA A 329
 BI9  A 501 (-3.3A)
None
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.53A 3ik3B-6bqlA:
21.6		 3ik3B-6bqlA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MIY_A_B49A1_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 11 ILE A 171
ALA A 192
LYS A 194
VAL A 249
PHE A 267
GLY A 273
LEU A 319
 BI9  A 501 (-4.0A)
BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
None
BI9  A 501 ( 4.2A)
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
 0.59A 3miyA-6bqlA:
23.0		 3miyA-6bqlA:
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 9 ILE A 171
ALA A 192
LYS A 194
PHE A 267
GLY A 273
LEU A 319
 BI9  A 501 (-4.0A)
BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
BI9  A 501 ( 4.2A)
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
 0.58A 3miyB-6bqlA:
23.1		 3miyB-6bqlA:
14.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
GLU A 197
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.16A 3n58A-4lvcA:
62.7		 3n58A-4lvcA:
69.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 LEU A  57
GLN A  62
THR A  63
GLU A 197
HIS A 342
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.7A)
 0.13A 3n58C-4lvcA:
62.7		 3n58C-4lvcA:
69.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3N58_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
GLU A 197
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.7A)
 0.13A 3n58D-4lvcA:
66.1		 3n58D-4lvcA:
69.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_A_ADNA506_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		3 / 3 GLN A  62
THR A  63
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 3.9A)
 0.09A 3ondA-4lvcA:
59.7		 3ondA-4lvcA:
62.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3OND_B_ADNB507_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		3 / 3 GLN A  62
THR A  63
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 3.9A)
 0.11A 3ondB-4lvcA:
57.1		 3ondB-4lvcA:
62.65
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.
3OXZ_A_0LIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 12 ALA A 192
VAL A 249
GLY A 273
HIS A 310
ALA A 329
ASP A 330
 BI9  A 501 (-3.3A)
None
BI9  A 501 (-3.3A)
None
NH4  A 506 ( 3.7A)
None
 0.88A 3oxzA-6bqlA:
21.7		 3oxzA-6bqlA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 12 VAL A 179
ALA A 192
VAL A 249
LEU A 319
ALA A 329
ASP A 330
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.63A 3pyyB-6bqlA:
21.7		 3pyyB-6bqlA:
15.47
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.
3R2J_C_NIOC311_1
(ALPHA/BETA-HYDROLASE
-LIKE PROTEIN)		 3hb7 ISOCHORISMATASE
HYDROLASE
(Alkaliphilus
metalliredigens) 		6 / 12 ASP A  10
PHE A  15
LEU A  22
HIS A  58
LYS A  96
CYH A 129
 None
None
None
NH4  A 201 (-4.1A)
None
None
 1.38A 3r2jC-3hb7A:
22.5		 3r2jC-3hb7A:
25.60
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 VAL A 179
ALA A 192
LEU A 240
PHE A 267
LEU A 303
HIS A 310
ALA A 329
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
None
BI9  A 501 ( 4.2A)
None
None
NH4  A 506 ( 3.7A)
 0.84A 3rgfA-6bqlA:
5.7		 3rgfA-6bqlA:
10.37
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.
3T3S_D_9PLD1_1
(CYTOCHROME P450 2A13)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		4 / 8 ALA A  67
PHE A 107
ALA A 108
THR A 111
 None
NH4  A 404 (-3.9A)
None
None
 0.79A 3t3sD-1u7gA:
undetectable		 3t3sD-1u7gA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_F_9PLF1_1
(CYTOCHROME P450 2A13)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		4 / 8 ALA A  67
PHE A 107
ALA A 108
THR A 111
 None
NH4  A 404 (-3.9A)
None
None
 0.95A 3t3sF-1u7gA:
0.8		 3t3sF-1u7gA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3e0u GLUTATHIONE
PEROXIDASE
(Trypanosoma
cruzi) 		5 / 12 PHE A 103
ILE A 109
TYR A 120
LEU A 119
LEU A  39
 None
NH4  A   1 (-4.6A)
None
None
None
 1.25A 3vn2A-3e0uA:
undetectable		 3vn2A-3e0uA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WSJ_A_MK1A201_1
(PROTEASE)		 5jx5 GLUCANASE
(Orpinomyces
sp.
Y102) 		5 / 9 LEU A 347
ALA A 291
ASP A 290
LEU A 272
ILE A 308
 None
None
NH4  A 516 ( 2.7A)
None
None
 1.39A 3wsjA-5jx5A:
undetectable		 3wsjA-5jx5A:
15.94
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 9 VAL A 179
ALA A 192
GLY A 273
LEU A 319
ALA A 329
ASP A 330
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.70A 4anqA-6bqlA:
22.8		 4anqA-6bqlA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 9 VAL A 179
ALA A 192
GLY A 273
LEU A 319
ALA A 329
ASP A 330
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.68A 4ansA-6bqlA:
22.7		 4ansA-6bqlA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 12 VAL A 179
ALA A 192
MET A 265
LEU A 319
ALA A 329
ASP A 330
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.88A 4bkjB-6bqlA:
21.4		 4bkjB-6bqlA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3btp SINGLE-STRAND
DNA-BINDING PROTEIN
PROTEIN VIRE1
(Agrobacterium
fabrum;
Agrobacterium
fabrum) 		5 / 12 ASP B  40
GLY B  35
TYR A 250
SER A 311
HIS B  31
 None
NH4  B 603 (-3.7A)
None
None
None
 1.13A 4blvB-3btpB:
undetectable		 4blvB-3btpB:
11.23
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 ALA A 192
LYS A 194
LEU A 240
HIS A 310
LEU A 319
ALA A 329
ASP A 330
 BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
None
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.85A 4c8bA-6bqlA:
22.9		 4c8bA-6bqlA:
14.05
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.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 ALA A 192
LYS A 194
LEU A 240
HIS A 310
LEU A 319
ALA A 329
ASP A 330
 BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
None
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
None
 0.89A 4c8bB-6bqlA:
22.7		 4c8bB-6bqlA:
14.05
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.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 VAL A 179
ALA A 192
GLU A 236
VAL A 249
GLY A 273
LEU A 319
ALA A 329
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
NH4  A 506 (-3.0A)
None
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.64A 4mxyB-6bqlA:
24.5		 4mxyB-6bqlA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 VAL A 179
ALA A 192
GLU A 236
VAL A 249
GLY A 273
LEU A 319
ALA A 329
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
NH4  A 506 (-3.0A)
None
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.64A 4mxzB-6bqlA:
24.5		 4mxzB-6bqlA:
15.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PFJ_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 6 THR A  63
GLN A  88
THR A 198
HIS A 342
ASN A 385
 ADN  A 501 (-4.5A)
NH4  A 502 ( 4.9A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 503 (-3.1A)
 0.20A 4pfjB-4lvcA:
57.7		 4pfjB-4lvcA:
57.47
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 10 ILE A 171
ALA A 192
LYS A 194
LEU A 269
VAL A 270
LEU A 319
 BI9  A 501 (-4.0A)
BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
BI9  A 501 (-4.4A)
BI9  A 501 (-4.0A)
BI9  A 501 (-4.7A)
 0.65A 4rz7A-6bqlA:
11.8		 4rz7A-6bqlA:
6.87
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 ALA A 192
LYS A 194
LEU A 240
GLY A 273
HIS A 310
LEU A 319
ASP A 330
 BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
None
BI9  A 501 (-3.3A)
None
BI9  A 501 (-4.7A)
None
 0.99A 4u0iA-6bqlA:
21.6		 4u0iA-6bqlA:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		5 / 12 ALA A 192
LEU A 303
HIS A 310
LEU A 319
ALA A 329
 BI9  A 501 (-3.3A)
None
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.39A 4uxqA-6bqlA:
22.0		 4uxqA-6bqlA:
13.64
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4lbw ELONGATION FACTOR
TU-A
(Thermus
thermophilus) 		4 / 6 ASP A  51
ALA A  66
THR A  25
THR A  28
 MG  A 502 (-4.0A)
NH4  A 503 ( 4.0A)
MG  A 502 ( 3.1A)
None
 1.46A 4w5qA-4lbwA:
5.3		 4w5qA-4lbwA:
18.30
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.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4lbw ELONGATION FACTOR
TU-A
(Thermus
thermophilus) 		4 / 6 ASP A  51
ALA A  66
THR A  25
THR A  28
 MG  A 502 (-4.0A)
NH4  A 503 ( 4.0A)
MG  A 502 ( 3.1A)
None
 1.49A 4w5rA-4lbwA:
5.3		 4w5rA-4lbwA:
18.30
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4lbw ELONGATION FACTOR
TU-A
(Thermus
thermophilus) 		4 / 6 ASP A  51
ALA A  66
THR A  25
THR A  28
 MG  A 502 (-4.0A)
NH4  A 503 ( 4.0A)
MG  A 502 ( 3.1A)
None
 1.50A 4w5tA-4lbwA:
5.3		 4w5tA-4lbwA:
18.30
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.
4XEY_B_1N1B601_1
(TYROSINE-PROTEIN
KINASE ABL1)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 VAL A 179
ALA A 192
LYS A 194
VAL A 249
GLY A 273
LEU A 319
ALA A 329
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
None
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.66A 4xeyB-6bqlA:
23.8		 4xeyB-6bqlA:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 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)		 4lbw ELONGATION FACTOR
TU-A
(Thermus
thermophilus) 		4 / 6 ASP A  51
ALA A  66
THR A  25
THR A  28
 MG  A 502 (-4.0A)
NH4  A 503 ( 4.0A)
MG  A 502 ( 3.1A)
None
 1.46A 4z4fA-4lbwA:
5.2		 4z4fA-4lbwA:
18.30
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.
4Z4G_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		 4lbw ELONGATION FACTOR
TU-A
(Thermus
thermophilus) 		4 / 5 ASP A  51
ALA A  66
THR A  25
THR A  28
 MG  A 502 (-4.0A)
NH4  A 503 ( 4.0A)
MG  A 502 ( 3.1A)
None
 1.50A 4z4gA-4lbwA:
undetectable		 4z4gA-4lbwA:
18.30
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.
4ZJO_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens) 		5 / 11 THR A 207
SER A 444
ALA A 331
GLU A 394
GLY A 234
 None
NH4  A1461 ( 4.4A)
None
NH4  A1461 (-3.7A)
None
 1.14A 4zjoD-2iwzA:
undetectable		 4zjoD-2iwzA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		 3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE
(Pseudomonas
putida) 		4 / 8 THR X 350
ILE X  16
PRO X 283
MET X 302
 None
None
NH4  X 402 (-3.5A)
None
 0.86A 5g48A-3fmxX:
undetectable		 5g48A-3fmxX:
23.63
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.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 12 ILE A 171
ALA A 192
LYS A 194
GLU A 236
GLY A 273
LEU A 319
 BI9  A 501 (-4.0A)
BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
NH4  A 506 (-3.0A)
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
 0.62A 5i9yA-6bqlA:
23.1		 5i9yA-6bqlA:
13.91
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 7 GLY A 172
GLY A 174
SER A 175
VAL A 179
LYS A 194
LEU A 196
 BI9  A 501 (-3.6A)
None
ACT  A 504 (-3.3A)
BI9  A 501 ( 4.8A)
NH4  A 506 ( 4.4A)
None
 0.60A 5izjA-6bqlA:
29.2		 5izjA-6bqlA:
13.46
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.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		5 / 7 GLY A 172
GLY A 174
SER A 175
VAL A 179
LYS A 194
 BI9  A 501 (-3.6A)
None
ACT  A 504 (-3.3A)
BI9  A 501 ( 4.8A)
NH4  A 506 ( 4.4A)
 0.46A 5j5xA-6bqlA:
29.4		 5j5xA-6bqlA:
13.46
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 3e0u GLUTATHIONE
PEROXIDASE
(Trypanosoma
cruzi) 		5 / 12 LEU A  73
ALA A  74
PHE A  75
PHE A  99
TYR A  55
 None
None
NH4  A   1 (-4.7A)
None
None
 1.21A 5k9dA-3e0uA:
undetectable		 5k9dA-3e0uA:
19.07
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 GLY A 172
VAL A 179
ALA A 192
VAL A 249
PHE A 267
LEU A 319
ALA A 329
 BI9  A 501 (-3.6A)
BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
None
BI9  A 501 ( 4.2A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.84A 5l2iA-6bqlA:
8.0		 5l2iA-6bqlA:
13.64
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 12 VAL A 179
ALA A 192
VAL A 249
PHE A 267
LEU A 319
ALA A 329
 BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
None
BI9  A 501 ( 4.2A)
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.90A 5l2tA-6bqlA:
8.0		 5l2tA-6bqlA:
13.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
NAD  A 503 ( 3.9A)
 0.14A 5m5kA-4lvcA:
69.7		 5m5kA-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
LEU A 383
LEU A 386
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
 0.10A 5m5kB-4lvcA:
69.4		 5m5kB-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M5K_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
NAD  A 503 ( 3.9A)
 0.15A 5m5kC-4lvcA:
65.2		 5m5kC-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
GLU A 197
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 3.9A)
 0.15A 5m66A-4lvcA:
68.9		 5m66A-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
NAD  A 503 ( 3.9A)
 0.16A 5m66B-4lvcA:
68.4		 5m66B-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		12 / 12 HIS A  58
THR A  60
GLN A  62
ASP A 135
THR A 198
LYS A 227
ASP A 231
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.18A 5m66C-4lvcA:
68.2		 5m66C-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		12 / 12 HIS A  58
THR A  60
GLN A  62
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.21A 5m66D-4lvcA:
68.3		 5m66D-4lvcA:
100.00
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.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		5 / 12 ALA A 192
VAL A 249
HIS A 310
LEU A 319
ALA A 329
 BI9  A 501 (-3.3A)
None
None
BI9  A 501 (-4.7A)
NH4  A 506 ( 3.7A)
 0.48A 5mo4A-6bqlA:
18.8		 5mo4A-6bqlA:
10.92
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.
5VC3_A_DB8A601_1
(WEE1-LIKE PROTEIN
KINASE)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		6 / 12 ILE A 171
GLY A 172
ALA A 192
GLU A 236
GLY A 273
ASP A 330
 BI9  A 501 (-4.0A)
BI9  A 501 (-3.6A)
BI9  A 501 (-3.3A)
NH4  A 506 (-3.0A)
BI9  A 501 (-3.3A)
None
 0.88A 5vc3A-6bqlA:
26.5		 5vc3A-6bqlA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
DIOL DEHYDRASE BETA
SUBUNIT
(Klebsiella
oxytoca;
Klebsiella
oxytoca) 		5 / 12 GLN B 197
GLY A 261
SER A 307
ILE A 313
GLY A 298
 CNC  B2601 ( 4.6A)
NH4  A2604 (-4.1A)
None
None
None
 1.03A 5wyqA-1uc4B:
undetectable		 5wyqA-1uc4B:
20.44
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT
DIOL DEHYDRASE BETA
SUBUNIT
(Klebsiella
oxytoca;
Klebsiella
oxytoca) 		5 / 12 GLN B 197
GLY A 261
SER A 307
ILE A 313
GLY A 298
 CNC  B2601 ( 4.6A)
NH4  A2604 (-4.1A)
None
None
None
 0.97A 5wyqB-1uc4B:
undetectable		 5wyqB-1uc4B:
20.44
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		5 / 12 GLY A 172
VAL A 179
ALA A 192
PHE A 267
ALA A 329
 BI9  A 501 (-3.6A)
BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
BI9  A 501 ( 4.2A)
NH4  A 506 ( 3.7A)
 0.31A 5xv7A-6bqlA:
25.5		 5xv7A-6bqlA:
22.35
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.
5YOD_H_BEZH201_0
(NS3 PROTEASE)		 5h6z SET
DOMAIN-CONTAINING
PROTEIN 7
(Schizosaccharomy
ces
pombe) 		4 / 5 SER A  37
TYR A  99
GLY A  75
TYR A  61
 None
None
None
NH4  A 208 ( 4.3A)
 1.40A 5yodH-5h6zA:
undetectable		 5yodH-5h6zA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
LEU A 386
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.7A)
 0.15A 6aphA-4lvcA:
58.3		 6aphA-4lvcA:
60.62
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.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		 6eu6 AMMONIUM TRANSPORTER
(Candidatus
Kuenenia
stuttgartiensis) 		5 / 12 ASP A  50
VAL A 102
VAL A 170
GLY A 174
ALA A 178
 NH4  A 505 (-2.8A)
None
None
None
None
 1.04A 6bqgA-6eu6A:
2.0		 6bqgA-6eu6A:
24.44
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.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		 1u7g PROBABLE AMMONIUM
TRANSPORTER
(Escherichia
coli) 		5 / 12 ILE A  99
HIS A 100
SER A  68
PHE A 107
LEU A  83
 None
None
None
NH4  A 404 (-3.9A)
None
 1.37A 6chgC-1u7gA:
undetectable		 6chgC-1u7gA:
18.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		11 / 12 HIS A  58
THR A  60
GLN A  62
THR A  63
ASP A 231
ASN A 385
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.1A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.28A 6exiA-4lvcA:
68.4		 6exiA-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_A_ADNA502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		8 / 12 HIS A  58
THR A  60
GLN A  62
THR A  63
HIS A 342
LEU A 386
GLY A 391
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-4.8A)
 1.02A 6exiA-4lvcA:
68.4		 6exiA-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_B_ADNB502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		7 / 12 HIS A  58
THR A  60
GLN A  62
THR A  63
HIS A 342
LEU A 386
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-4.8A)
 1.05A 6exiB-4lvcA:
63.5		 6exiB-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_B_ADNB502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		11 / 12 HIS A  58
THR A  60
GLN A  62
THR A  63
LYS A 227
ASP A 231
ASN A 385
LEU A 386
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.64A 6exiB-4lvcA:
63.5		 6exiB-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		6 / 12 LEU A  57
GLN A  62
THR A  63
ASP A 231
ASN A 232
MET A 397
 None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.1A)
NAD  A 503 (-3.6A)
ADN  A 501 (-3.7A)
 0.90A 6exiC-4lvcA:
64.4		 6exiC-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		10 / 12 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
ASP A 231
ASN A 385
LEU A 386
HIS A 392
MET A 397
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.1A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
 0.29A 6exiC-4lvcA:
64.4		 6exiC-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_C_ADNC502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		7 / 12 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
HIS A 342
LEU A 386
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.7A)
 1.02A 6exiC-4lvcA:
64.4		 6exiC-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		11 / 12 HIS A  58
THR A  60
GLN A  62
THR A  63
ASP A 231
ASN A 385
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.1A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.35A 6exiD-4lvcA:
63.1		 6exiD-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		9 / 12 HIS A  58
THR A  60
GLN A  62
THR A  63
HIS A 342
ASN A 385
LEU A 386
GLY A 391
PHE A 401
 ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
NAD  A 503 (-3.1A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-4.8A)
 1.05A 6exiD-4lvcA:
63.1		 6exiD-4lvcA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_A_ADNA502_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
LEU A 386
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 4.7A)
 0.18A 6f3mA-4lvcA:
54.9		 6f3mA-4lvcA:
52.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_B_ADNB502_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
NAD  A 503 ( 3.9A)
 0.17A 6f3mB-4lvcA:
53.5		 6f3mB-4lvcA:
53.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_C_ADNC502_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
LEU A 386
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 4.7A)
 0.20A 6f3mC-4lvcA:
53.6		 6f3mC-4lvcA:
53.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3M_D_ADND502_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 5 GLN A  62
THR A  63
THR A 198
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
NAD  A 503 ( 3.9A)
 0.19A 6f3mD-4lvcA:
53.7		 6f3mD-4lvcA:
53.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_A_ADNA505_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.17A 6f3nA-4lvcA:
53.7		 6f3nA-4lvcA:
52.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_B_ADNB505_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
HIS A 342
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.14A 6f3nB-4lvcA:
53.6		 6f3nB-4lvcA:
52.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_C_ADNC505_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.17A 6f3nC-4lvcA:
53.8		 6f3nC-4lvcA:
52.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6F3N_D_ADND506_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		4 / 4 GLN A  62
THR A  63
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.16A 6f3nD-4lvcA:
54.9		 6f3nD-4lvcA:
52.05
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.
6FNM_A_1N1A1001_1
(-)		 6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2
(Homo
sapiens) 		7 / 12 ILE A 171
VAL A 179
ALA A 192
LYS A 194
GLU A 236
GLY A 273
LEU A 319
 BI9  A 501 (-4.0A)
BI9  A 501 ( 4.8A)
BI9  A 501 (-3.3A)
NH4  A 506 ( 4.4A)
NH4  A 506 (-3.0A)
BI9  A 501 (-3.3A)
BI9  A 501 (-4.7A)
 0.66A 6fnmA-6bqlA:
23.9		 6fnmA-6bqlA:
13.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_A_ADNA501_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.12A 6gbnA-4lvcA:
58.4		 6gbnA-4lvcA:
60.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_B_ADNB501_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
LEU A 386
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 4.7A)
 0.10A 6gbnB-4lvcA:
61.3		 6gbnB-4lvcA:
60.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_C_ADNC501_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
GLY A 391
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.6A)
 0.10A 6gbnC-4lvcA:
58.5		 6gbnC-4lvcA:
60.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6GBN_D_ADND501_2
(-)		 4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)
(Bradyrhizobium
elkanii) 		5 / 5 GLN A  62
THR A  63
THR A 198
HIS A 342
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.13A 6gbnD-4lvcA:
57.8		 6gbnD-4lvcA:
60.41
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1kbl PYRUVATE PHOSPHATE
DIKINASE
([Clostridium]
symbiosum) 		4 / 7 ASP A 541
GLU A 563
ASP A 620
GLU A 745
 None
None
NH4  A 901 (-3.2A)
NH4  A 901 (-2.8A)
 1.34A 6mn5B-1kblA:
0.0		 6mn5B-1kblA:
6.91
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		 2iwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE
(Homo
sapiens) 		4 / 6 THR A 399
LEU A 400
THR A 442
LEU A 407
 None
None
NH4  A1461 (-4.0A)
None
 1.18A 6mvxA-2iwzA:
undetectable
6mvxB-2iwzA:
undetectable
6mvxC-2iwzA:
undetectable		 6mvxA-2iwzA:
20.42
6mvxB-2iwzA:
20.42
6mvxC-2iwzA:
20.42