SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1j3b'

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.
1JO3_A_DVAA6_0
(GRAMICIDIN B)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.83A 1jo3A-1j3bA:
undetectable		 1jo3A-1j3bA:
5.74
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.
1JO3_B_DVAB6_0
(GRAMICIDIN B)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.83A 1jo3B-1j3bA:
undetectable		 1jo3B-1j3bA:
5.74
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.
1NRM_A_DVAA6_0
(GRAMICIDIN A)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.88A 1nrmA-1j3bA:
undetectable		 1nrmA-1j3bA:
4.73
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.
1NRM_B_DVAB6_0
(GRAMICIDIN A)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.88A 1nrmB-1j3bA:
undetectable		 1nrmB-1j3bA:
4.73
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.
1NRU_A_DVAA6_0
(GRAMICIDIN A)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.93A 1nruA-1j3bA:
undetectable		 1nruA-1j3bA:
4.73
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.
1NRU_B_DVAB6_0
(GRAMICIDIN A)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.93A 1nruB-1j3bA:
undetectable		 1nruB-1j3bA:
4.73
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.
1NT5_A_DVAA6_0
(GRAMICIDIN A)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.89A 1nt5A-1j3bA:
undetectable		 1nt5A-1j3bA:
4.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT5_B_DVAB6_0
(GRAMICIDIN A)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.89A 1nt5B-1j3bA:
undetectable		 1nt5B-1j3bA:
4.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT6_A_DVAA6_0
(GRAMICIDIN C)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.71A 1nt6A-1j3bA:
undetectable		 1nt6A-1j3bA:
5.08
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.
1NT6_B_DVAB6_0
(GRAMICIDIN C)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ALA A 349
VAL A 352
TRP A 489
 None
 0.71A 1nt6B-1j3bA:
undetectable		 1nt6B-1j3bA:
5.08
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.
1QKN_A_RALA600_2
(ESTROGEN RECEPTOR
BETA)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ASP A 103
LEU A 104
HIS A  27
 None
 0.70A 1qknA-1j3bA:
0.0		 1qknA-1j3bA:
20.50
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 7 TYR A 100
ASN A  18
LEU A  24
GLN A 102
 None
 1.00A 1qzrA-1j3bA:
0.0		 1qzrA-1j3bA:
20.29
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.
1QZR_B_CDXB901_2
(DNA TOPOISOMERASE II)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 7 TYR A 100
ASN A  18
LEU A  24
GLN A 102
 None
 0.99A 1qzrB-1j3bA:
undetectable		 1qzrB-1j3bA:
20.29
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.
1SS4_A_ACTA411_0
(GLYOXALASE FAMILY
PROTEIN)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 5 TRP A 309
VAL A 298
THR A 318
ILE A 284
 None
 1.02A 1ss4A-1j3bA:
0.0		 1ss4A-1j3bA:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 5 LEU A 423
SER A 370
LEU A 233
LEU A 353
 None
 1.03A 1yajD-1j3bA:
0.0		 1yajD-1j3bA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 12 LEU A  86
LEU A 185
LEU A 183
THR A 169
PHE A  78
 None
 1.17A 1zucB-1j3bA:
undetectable		 1zucB-1j3bA:
19.73
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.
2A3B_B_CFFB2434_1
(CHITINASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 GLU A  33
ASP A  98
PHE A  16
ARG A  14
 None
 1.43A 2a3bB-1j3bA:
undetectable		 2a3bB-1j3bA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3B_B_CFFB2434_1
(CHITINASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 GLU A 121
ASP A  98
PHE A  16
ARG A  14
 None
 1.34A 2a3bB-1j3bA:
undetectable		 2a3bB-1j3bA:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 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_ACTA1321_0
(CHLOROPEROXIDASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 5 LEU A 410
PHE A 231
VAL A 421
ALA A 364
 None
 1.22A 2cizA-1j3bA:
0.0		 2cizA-1j3bA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 ARG A 275
TRP A 309
ASN A 289
PRO A 278
 None
 1.43A 2ejfB-1j3bA:
undetectable		 2ejfB-1j3bA:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6002_0
(PANTOTHENATE KINASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 8 ARG A  52
THR A 189
GLY A 193
ILE A 186
 None
 0.88A 2f9wA-1j3bA:
undetectable
2f9wB-1j3bA:
undetectable		 2f9wA-1j3bA:
21.16
2f9wB-1j3bA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_B_DVAB6_0
(GRAMICIDIN D)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 TRP A 489
ALA A 349
VAL A 352
 None
 0.85A 2izqA-1j3bA:
undetectable
2izqB-1j3bA:
undetectable		 2izqA-1j3bA:
4.73
2izqB-1j3bA:
4.73
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.
2LH6_A_NIOA155_1
(LEGHEMOGLOBIN A
(NICOTINATE MET))		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 5 PHE A 467
PHE A 506
PHE A 390
VAL A 352
 None
 1.21A 2lh6A-1j3bA:
0.0		 2lh6A-1j3bA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_A_SAMA201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		6 / 12 GLY A 427
ALA A 347
LEU A 483
LEU A 482
VAL A 471
LEU A 456
 None
 1.47A 2nyuA-1j3bA:
undetectable		 2nyuA-1j3bA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RK8_A_PPFA3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		6 / 8 ARG A  52
LYS A 196
LYS A 197
HIS A 216
ASP A 253
ARG A 319
 None
 0.97A 2rk8A-1j3bA:
30.0		 2rk8A-1j3bA:
23.08
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.
2RK8_B_PPFB3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		6 / 7 ARG A  52
LYS A 196
LYS A 197
HIS A 216
ASP A 253
ARG A 319
 None
 0.91A 2rk8B-1j3bA:
30.3		 2rk8B-1j3bA:
23.08
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.
2VQ5_B_LDPB1197_1
(S-NORCOCLAURINE
SYNTHASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 7 LEU A 353
LEU A 502
PHE A 467
LEU A 423
TYR A 366
 None
 1.35A 2vq5B-1j3bA:
0.0		 2vq5B-1j3bA:
16.45
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.
2WLJ_A_SPMA1303_1
(POTASSIUM CHANNEL)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 ARG A 340
ARG A 420
PRO A 419
 PO4  A2004 (-2.4A)
None
None
 1.08A 2wljA-1j3bA:
undetectable		 2wljA-1j3bA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 12 VAL A  59
GLY A 176
ILE A 186
PRO A  54
SER A  53
 None
 1.17A 3bjwF-1j3bA:
undetectable		 3bjwF-1j3bA:
12.80
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.
3DCJ_A_THHA401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 12 LEU A 447
LEU A 448
ASN A 425
VAL A 424
PRO A 440
 None
 1.24A 3dcjA-1j3bA:
undetectable
3dcjB-1j3bA:
undetectable		 3dcjA-1j3bA:
19.24
3dcjB-1j3bA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 GLY A  51
GLU A 296
GLY A 193
ASN A 317
 None
 1.05A 3e9rA-1j3bA:
undetectable		 3e9rA-1j3bA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 GLY A  51
GLU A 296
GLY A 193
ASN A 317
 None
 1.07A 3e9rC-1j3bA:
undetectable		 3e9rC-1j3bA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_C_LEIC16_0
(COIL SER L16D-PEN)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 LYS A  12
GLN A  92
LEU A  94
GLU A  96
 None
 0.96A 3h5gB-1j3bA:
undetectable
3h5gC-1j3bA:
undetectable		 3h5gB-1j3bA:
4.37
3h5gC-1j3bA:
4.37
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.
3IJD_A_C2FA315_0
(UNCHARACTERIZED
PROTEIN)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 11 THR A 318
LYS A 314
THR A 315
VAL A  43
ILE A 294
 None
 1.46A 3ijdA-1j3bA:
0.0		 3ijdA-1j3bA:
20.11
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.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 PHE A 506
ASP A 348
TYR A 372
PRO A 526
 None
 1.34A 3jqaA-1j3bA:
2.2		 3jqaA-1j3bA:
20.60
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.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 PHE A 506
ASP A 348
TYR A 372
PRO A 526
 None
 1.34A 3jqaC-1j3bA:
2.3		 3jqaC-1j3bA:
20.60
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.
3JQA_D_DX4D270_0
(PTERIDINE REDUCTASE
1)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 PHE A 506
ASP A 348
TYR A 372
PRO A 526
 None
 1.33A 3jqaD-1j3bA:
undetectable		 3jqaD-1j3bA:
20.60
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 12 SER A 321
ILE A 294
LEU A 127
LEU A 135
PHE A 133
 None
 1.37A 3vn2A-1j3bA:
undetectable		 3vn2A-1j3bA:
20.60
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.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 7 THR A 153
VAL A 101
ASP A 103
VAL A 119
 None
 0.90A 4cp4A-1j3bA:
0.0		 4cp4A-1j3bA:
21.62
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.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 12 LEU A 441
ALA A 347
THR A 444
LEU A 241
GLY A 351
 None
 1.03A 4dc3A-1j3bA:
undetectable		 4dc3A-1j3bA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 10 VAL A 119
LEU A  99
VAL A 101
VAL A  15
TRP A  17
 None
 0.58A 4e3hA-1j3bA:
undetectable		 4e3hA-1j3bA:
19.62
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.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 PHE A 467
TYR A 350
TYR A 372
 None
 1.10A 4ffwA-1j3bA:
undetectable		 4ffwA-1j3bA:
21.02
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.
4K50_F_ACTF701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 4 PHE A 128
HIS A 125
GLY A 193
ILE A 195
 None
 0.86A 4k50E-1j3bA:
0.0		 4k50E-1j3bA:
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.
4K50_M_ACTM503_0
(RNA POLYMERASE
3D-POL)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 4 PHE A 128
HIS A 125
GLY A 193
ILE A 195
 None
 0.85A 4k50M-1j3bA:
0.0		 4k50M-1j3bA:
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.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 HIS A  39
VAL A  25
LEU A  36
 None
 0.57A 4m2vA-1j3bA:
undetectable		 4m2vA-1j3bA:
19.77
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.
4MMC_A_29JA604_1
(TRANSPORTER)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 7 PHE A 506
LEU A 353
ASP A 348
THR A 236
 None
None
None
PO4  A2003 (-4.1A)
 1.09A 4mmcA-1j3bA:
undetectable		 4mmcA-1j3bA:
22.73
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.
4QA0_A_SHHA404_2
(HISTONE DEACETYLASE
8)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 PRO A 400
MET A 401
TYR A 205
 None
 1.03A 4qa0B-1j3bA:
0.0		 4qa0B-1j3bA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA0_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 PRO A 400
MET A 401
TYR A 205
 None
 1.08A 4qa0A-1j3bA:
undetectable		 4qa0A-1j3bA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 10 GLY A 525
GLU A 523
PHE A 510
ALA A 514
ALA A 518
 None
 1.26A 4wnuD-1j3bA:
0.0		 4wnuD-1j3bA:
24.37
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.
4ZJZ_A_BEZA1001_0
(BENZOATE-COENZYME A
LIGASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 8 VAL A 212
PHE A 263
GLY A 107
ALA A 106
 None
 0.60A 4zjzA-1j3bA:
undetectable		 4zjzA-1j3bA:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ALC_L_TIQL1210_2
(ANTI-TICAGRELOR FAB
72, LIGHT CHAIN)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 8 SER A 391
GLY A 395
SER A 218
PHE A 398
 None
 0.83A 5alcL-1j3bA:
undetectable		 5alcL-1j3bA:
17.58
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.
5IZF_E_AZ1E2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
6J9-ZEU-DAR-ACA-DAR-
NH2)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 7 GLY A 232
GLY A 371
SER A 370
PHE A 390
 None
 0.84A 5izfA-1j3bA:
undetectable		 5izfA-1j3bA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 VAL A 273
ARG A 130
PRO A 323
 None
PO4  A2001 ( 4.0A)
CA  A1001 ( 4.9A)
 0.67A 5koxA-1j3bA:
0.0		 5koxA-1j3bA:
25.86
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.
5SYJ_A_NIZA810_1
(CATALASE-PEROXIDASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 TRP A  70
HIS A 402
LEU A 369
SER A 515
 None
 1.27A 5syjA-1j3bA:
undetectable		 5syjA-1j3bA:
22.92
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.
5SYJ_B_NIZB810_1
(CATALASE-PEROXIDASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		4 / 6 TRP A  70
HIS A 402
LEU A 369
SER A 515
 None
 1.27A 5syjB-1j3bA:
undetectable		 5syjB-1j3bA:
22.92
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		3 / 3 GLY A 468
THR A 426
PRO A 354
 None
 0.57A 5v5zA-1j3bA:
0.0		 5v5zA-1j3bA:
22.39
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.
5VLM_E_CVIE301_0
(REGULATORY PROTEIN
TETR)		 1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE
(Thermus
thermophilus) 		5 / 12 ALA A 129
LEU A 135
ARG A 113
VAL A 116
PHE A 148
 None
 1.31A 5vlmE-1j3bA:
undetectable		 5vlmE-1j3bA:
15.61