SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jcm'

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.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 HIS A 317
PHE A 273
LEU A 271
HIS A  19
ASP A 318
 None
 1.37A 1a4lB-4jcmA:
7.9		 1a4lB-4jcmA:
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.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 VAL A 479
TYR A 411
LEU A 420
ILE A 424
ALA A 337
LEU A 384
 None
 1.36A 1cqeA-4jcmA:
undetectable		 1cqeA-4jcmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 VAL A 479
TYR A 411
LEU A 420
ILE A 424
ALA A 337
LEU A 384
 None
 1.36A 1cqeB-4jcmA:
undetectable		 1cqeB-4jcmA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		8 / 12 HIS A  95
LEU A 185
ASP A 220
GLU A 248
HIS A 317
ASP A 318
ASP A 361
ARG A 365
 None
 0.85A 1dedA-4jcmA:
58.7		 1dedA-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		10 / 12 HIS A  95
LEU A 185
TYR A 186
LEU A 188
ASP A 220
ALA A 221
GLU A 248
HIS A 317
ASP A 361
ARG A 365
 None
 0.62A 1dedA-4jcmA:
58.7		 1dedA-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 LEU A 185
ASP A 220
HIS A 317
ASP A 318
ASP A 361
ARG A 365
 None
 1.30A 1dedA-4jcmA:
58.7		 1dedA-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA1001_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		7 / 9 TYR A  94
TRP A  98
HIS A 137
ASP A 187
ARG A 218
TRP A 249
PHE A 250
 None
None
None
None
None
SO4  A 731 (-4.2A)
None
 0.48A 1dedA-4jcmA:
58.7		 1dedA-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 TRP A 603
LYS A 638
GLY A 653
ASN A 655
 GOL  A 738 ( 3.9A)
GOL  A 738 (-3.6A)
None
GOL  A 738 (-3.2A)
 1.01A 1dedA-4jcmA:
58.7		 1dedA-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_A_QPSA2001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 TRP A 603
LYS A 638
TRP A 650
ASN A 655
 GOL  A 738 ( 3.9A)
GOL  A 738 (-3.6A)
GOL  A 738 ( 4.6A)
GOL  A 738 (-3.2A)
 0.32A 1dedA-4jcmA:
58.7		 1dedA-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		9 / 12 HIS A  95
TYR A 186
LEU A 188
ARG A 218
ASP A 220
ALA A 221
GLU A 248
HIS A 317
ARG A 365
 None
 0.66A 1dedB-4jcmA:
59.4		 1dedB-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		8 / 12 HIS A  95
TYR A 186
LEU A 188
ASP A 220
ALA A 221
PHE A 250
HIS A 317
ARG A 365
 None
 0.67A 1dedB-4jcmA:
59.4		 1dedB-4jcmA:
54.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DED_B_QPSB1501_2
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 9 TRP A  98
HIS A 137
LEU A 185
ASP A 187
ASP A 361
 None
 0.51A 1dedB-4jcmA:
59.4		 1dedB-4jcmA:
54.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 9 VAL A 479
TYR A 411
LEU A 420
ILE A 424
ALA A 337
LEU A 384
 None
 1.31A 1eqgA-4jcmA:
undetectable		 1eqgA-4jcmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 11 VAL A 479
TYR A 411
LEU A 420
ILE A 424
ALA A 337
LEU A 384
 None
 1.28A 1eqgB-4jcmA:
undetectable		 1eqgB-4jcmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 VAL A 479
TYR A 411
LEU A 420
ILE A 424
ALA A 337
LEU A 384
 None
 1.32A 1eqhA-4jcmA:
undetectable		 1eqhA-4jcmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 VAL A 479
TYR A 411
LEU A 420
ILE A 424
ALA A 337
LEU A 384
 None
 1.32A 1eqhB-4jcmA:
undetectable		 1eqhB-4jcmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_B_FUAB703_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 THR A 332
LEU A 450
VAL A 479
VAL A 380
THR A 376
 None
None
None
None
SO4  A 725 (-3.5A)
 1.31A 1q23B-4jcmA:
undetectable		 1q23B-4jcmA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_F_FUAF704_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 11 THR A 332
LEU A 450
VAL A 479
VAL A 380
THR A 376
 None
None
None
None
SO4  A 725 (-3.5A)
 1.33A 1q23F-4jcmA:
undetectable		 1q23F-4jcmA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VID_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 5 SER A 205
TYR A 165
SER A 139
ASP A 101
 None
 0.95A 1vidA-4jcmA:
undetectable		 1vidA-4jcmA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 TYR A 411
THR A 341
VAL A 449
ASP A 448
ILE A 293
 None
 1.38A 1xvaA-4jcmA:
undetectable		 1xvaA-4jcmA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 VAL A 479
TYR A 411
LEU A 420
ILE A 424
ALA A 337
LEU A 384
 None
 1.31A 2aylB-4jcmA:
undetectable		 2aylB-4jcmA:
21.50
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.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 SER A 205
TYR A 165
SER A 139
ASP A 101
 None
 1.00A 2cl5B-4jcmA:
undetectable		 2cl5B-4jcmA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 11 GLN A 280
ALA A 276
ALA A 337
THR A 332
ASP A 315
 None
 1.13A 2f16H-4jcmA:
undetectable
2f16I-4jcmA:
undetectable		 2f16H-4jcmA:
16.13
2f16I-4jcmA:
14.62
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.
2F16_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 11 GLN A 280
ALA A 276
ALA A 337
THR A 332
ASP A 315
 None
 1.16A 2f16V-4jcmA:
undetectable
2f16W-4jcmA:
undetectable		 2f16V-4jcmA:
16.13
2f16W-4jcmA:
14.62
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.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		3 / 3 SER A 180
HIS A 261
ASP A 303
 None
 0.52A 2oxtA-4jcmA:
undetectable		 2oxtA-4jcmA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 7 ASP A 272
MET A 296
TYR A 304
HIS A 260
 None
 1.40A 2pncA-4jcmA:
undetectable		 2pncA-4jcmA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		3 / 3 ASP A 372
ASN A 354
THR A 332
 None
 0.71A 2pymB-4jcmA:
undetectable		 2pymB-4jcmA:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 SER A 205
TYR A 165
SER A 139
ASP A 101
 None
 0.99A 2zvjA-4jcmA:
undetectable		 2zvjA-4jcmA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 GLN A 430
ASN A 429
GLY A 475
ASP A 328
LEU A 472
 None
 1.18A 2zw9A-4jcmA:
undetectable		 2zw9A-4jcmA:
21.61
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.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 LEU A 185
ARG A 218
ASP A 220
ALA A 221
HIS A 317
ASP A 318
 None
 0.80A 3aicA-4jcmA:
7.4		 3aicA-4jcmA:
22.58
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.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 LEU A 185
ARG A 218
ASP A 220
ALA A 221
HIS A 317
ASP A 318
 None
 0.84A 3aicB-4jcmA:
4.1		 3aicB-4jcmA:
22.58
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.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 LEU A 185
ARG A 218
ASP A 220
ALA A 221
HIS A 317
ASP A 318
 None
 0.81A 3aicD-4jcmA:
9.7		 3aicD-4jcmA:
22.58
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.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 LEU A 185
ARG A 218
ASP A 220
ALA A 221
HIS A 317
ASP A 318
 None
 0.81A 3aicE-4jcmA:
9.7		 3aicE-4jcmA:
22.58
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.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 LEU A 185
ARG A 218
ASP A 220
ALA A 221
HIS A 317
ASP A 318
 None
 0.85A 3aicF-4jcmA:
2.4		 3aicF-4jcmA:
22.58
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.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 LEU A 185
ARG A 218
ASP A 220
ALA A 221
HIS A 317
ASP A 318
 None
 0.84A 3aicG-4jcmA:
7.1		 3aicG-4jcmA:
22.58
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.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		6 / 12 LEU A 185
ARG A 218
ASP A 220
ALA A 221
HIS A 317
ASP A 318
 None
 0.85A 3aicH-4jcmA:
4.3		 3aicH-4jcmA:
22.58
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.
3H0A_A_9RAA500_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		3 / 3 ILE A  76
PHE A 109
HIS A 317
 None
 0.75A 3h0aA-4jcmA:
undetectable		 3h0aA-4jcmA:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBH_C_PXLC400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 VAL A 449
LEU A 420
THR A 341
VAL A 477
ASP A 448
 None
 1.47A 3mbhC-4jcmA:
2.9		 3mbhC-4jcmA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MBH_D_PXLD400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 VAL A 449
LEU A 420
THR A 341
VAL A 477
ASP A 448
 None
 1.45A 3mbhD-4jcmA:
undetectable		 3mbhD-4jcmA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 11 GLN A 280
ALA A 276
ALA A 337
THR A 332
ASP A 315
 None
 1.15A 3mg0V-4jcmA:
undetectable
3mg0W-4jcmA:
undetectable		 3mg0V-4jcmA:
16.13
3mg0W-4jcmA:
14.62
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 5 GLY A  56
LYS A  26
GLU A  60
GLY A  28
 None
 1.03A 3onnA-4jcmA:
undetectable		 3onnA-4jcmA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGL_A_RZXA257_1
(CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 7 PHE A 115
VAL A 129
ILE A 214
SER A  77
 None
 0.95A 3pglA-4jcmA:
undetectable		 3pglA-4jcmA:
13.39
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.
3PGY_B_GLYB509_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 4 PHE A 102
THR A 138
LEU A 202
TYR A 201
 None
 1.47A 3pgyB-4jcmA:
1.9		 3pgyB-4jcmA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9V_B_DXCB323_0
(INVASIN IPAD)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 7 TRP A  54
ILE A  57
ILE A  61
LEU A  74
 None
 0.53A 3r9vA-4jcmA:
undetectable
3r9vB-4jcmA:
undetectable		 3r9vA-4jcmA:
17.69
3r9vB-4jcmA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGL_A_GLYA301_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 8 GLY A 571
THR A 570
GLN A 573
GLU A 599
 None
 0.95A 3rglA-4jcmA:
undetectable		 3rglA-4jcmA:
17.81
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.
3T3C_A_017A201_2
(HIV-1 PROTEASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 10 ASP A 309
VAL A 345
GLY A 216
ALA A 347
VAL A 311
 None
 1.02A 3t3cB-4jcmA:
undetectable		 3t3cB-4jcmA:
10.17
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.
3UNI_A_SALA1344_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 7 GLU A 412
THR A 466
VAL A 467
LEU A 437
 None
 0.98A 3uniA-4jcmA:
undetectable		 3uniA-4jcmA:
20.45
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.
3V3O_A_T1CA404_1
(TETX2 PROTEIN)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 PHE A 338
GLY A 335
GLY A 344
MET A 296
GLN A 301
 None
 1.19A 3v3oA-4jcmA:
undetectable		 3v3oA-4jcmA:
20.23
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 GLY A  96
PRO A 140
ALA A 189
GLY A 146
ASN A 184
 None
 1.29A 3v3oB-4jcmA:
undetectable		 3v3oB-4jcmA:
20.23
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.
3ZNC_A_BZ1A500_1
(CARBONIC ANHYDRASE
IV)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 10 GLN A 310
HIS A 260
VAL A 263
PHE A 262
THR A 251
 None
 1.49A 3zncA-4jcmA:
undetectable		 3zncA-4jcmA:
16.24
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.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 7 TYR A  94
ARG A 218
HIS A  19
HIS A  95
 None
 1.44A 3zodA-4jcmA:
undetectable		 3zodA-4jcmA:
12.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 8 ASP A 451
ASP A 448
VAL A 422
LEU A 387
 None
 1.00A 4f8hA-4jcmA:
undetectable
4f8hB-4jcmA:
undetectable		 4f8hA-4jcmA:
18.21
4f8hB-4jcmA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8H_B_RKEB401_1
(PROTON-GATED ION
CHANNEL)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 8 ASP A 451
ASP A 448
VAL A 422
LEU A 387
 None
 1.10A 4f8hB-4jcmA:
undetectable
4f8hC-4jcmA:
undetectable		 4f8hB-4jcmA:
18.21
4f8hC-4jcmA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 8 ASP A 451
ASP A 448
VAL A 422
LEU A 387
 None
 1.02A 4f8hC-4jcmA:
undetectable
4f8hD-4jcmA:
undetectable		 4f8hC-4jcmA:
18.21
4f8hD-4jcmA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 8 ASP A 451
ASP A 448
VAL A 422
LEU A 387
 None
 1.01A 4f8hD-4jcmA:
undetectable
4f8hE-4jcmA:
undetectable		 4f8hD-4jcmA:
18.21
4f8hE-4jcmA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8H_E_RKEE401_1
(PROTON-GATED ION
CHANNEL)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 8 VAL A 422
LEU A 387
ASP A 451
ASP A 448
 None
 1.05A 4f8hA-4jcmA:
undetectable
4f8hE-4jcmA:
undetectable		 4f8hA-4jcmA:
18.21
4f8hE-4jcmA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		3 / 3 TYR A  97
ARG A 365
HIS A 317
 None
 1.24A 4fubA-4jcmA:
undetectable		 4fubA-4jcmA:
16.35
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 8 HIS A 317
SER A 269
PHE A 246
ASP A 220
 None
 1.25A 4ndnA-4jcmA:
undetectable		 4ndnA-4jcmA:
18.65
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		3 / 3 LYS A 103
ASN A  82
ASP A 150
 None
 0.83A 4o1eA-4jcmA:
9.2		 4o1eA-4jcmA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 5 GLN A 193
LEU A 191
SER A 190
ASP A 318
 CA  A 706 ( 4.4A)
None
CA  A 706 ( 4.5A)
None
 1.23A 4qtuD-4jcmA:
undetectable		 4qtuD-4jcmA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYQ_C_3CJC607_1
(LACTOPEROXIDASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 GLN A 310
ASP A 272
ARG A 343
ARG A 274
 None
 1.28A 4qyqC-4jcmA:
undetectable		 4qyqC-4jcmA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 5 SER A 205
TYR A 165
SER A 139
ASP A 101
 None
 1.02A 5fhrA-4jcmA:
undetectable		 5fhrA-4jcmA:
15.23
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.
5H3A_A_D16A401_1
(ORF70)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 7 PHE A 133
ILE A 206
ASP A 215
GLY A 216
 None
 0.92A 5h3aA-4jcmA:
undetectable		 5h3aA-4jcmA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 ARG A 117
ASP A  53
GLY A 110
ASP A 111
 None
CA  A 701 (-3.4A)
None
GOL  A 736 (-4.1A)
 1.13A 5hp1A-4jcmA:
undetectable		 5hp1A-4jcmA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 ARG A 117
GLY A 110
ASP A 111
ASP A  53
 None
None
GOL  A 736 (-4.1A)
CA  A 701 (-3.4A)
 1.29A 5hp1A-4jcmA:
undetectable		 5hp1A-4jcmA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HPW_C_3CJC609_1
(LACTOPEROXIDASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 GLN A 310
ASP A 272
ARG A 343
ARG A 274
 None
 1.28A 5hpwC-4jcmA:
undetectable		 5hpwC-4jcmA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JMN_A_FUAA1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 5 ILE A  57
ILE A 127
HIS A 123
VAL A 129
 None
 0.84A 5jmnA-4jcmA:
undetectable		 5jmnA-4jcmA:
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.
5LG3_B_Z80B401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 9 ILE A 206
PHE A 133
VAL A 243
ASP A 211
ILE A 214
 None
 1.34A 5lg3B-4jcmA:
0.8		 5lg3B-4jcmA:
18.88
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.
5LG3_C_Z80C401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 9 ILE A 206
PHE A 133
VAL A 243
ASP A 211
ILE A 214
 None
 1.28A 5lg3C-4jcmA:
0.7		 5lg3C-4jcmA:
18.88
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.
5LG3_D_Z80D401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 9 ILE A 206
PHE A 133
VAL A 243
ASP A 211
ILE A 214
 None
 1.32A 5lg3D-4jcmA:
undetectable		 5lg3D-4jcmA:
18.88
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.
5LG3_I_Z80I401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 9 ILE A 206
VAL A 243
ASP A 211
ILE A 214
 None
 1.01A 5lg3I-4jcmA:
undetectable		 5lg3I-4jcmA:
18.88
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.
5MUG_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 ILE A 234
ILE A 214
LEU A 210
VAL A 237
ILE A 206
 None
 1.09A 5mugA-4jcmA:
2.2		 5mugA-4jcmA:
15.44
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 HIS A 137
LEU A 185
ASP A 220
HIS A 224
HIS A 317
 None
None
None
CL  A 716 ( 4.7A)
None
 0.50A 6ag0A-4jcmA:
27.1		 6ag0A-4jcmA:
8.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 VAL A 660
PHE A 578
ILE A 609
SER A 628
VAL A 576
 None
 1.27A 6ap6A-4jcmA:
undetectable		 6ap6A-4jcmA:
17.00
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.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		5 / 12 VAL A 660
PHE A 578
ILE A 609
SER A 628
VAL A 576
 None
 1.27A 6ap6B-4jcmA:
undetectable		 6ap6B-4jcmA:
17.00
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.
6CDU_B_EY4B500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 6 VAL A 129
PRO A  79
ALA A 122
THR A 121
 None
None
None
SO4  A 722 ( 3.9A)
 0.99A 6cduB-4jcmA:
undetectable
6cduC-4jcmA:
undetectable		 6cduB-4jcmA:
17.89
6cduC-4jcmA:
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.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 5 GLY A 363
ASN A 364
ASP A 361
ARG A 365
 SO4  A 734 ( 3.7A)
None
None
None
 1.30A 6dwdB-4jcmA:
undetectable
6dwdD-4jcmA:
undetectable		 6dwdB-4jcmA:
21.64
6dwdD-4jcmA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE
([Bacillus]
clarkii) 		4 / 7 ASP A 272
ARG A 274
TYR A 259
ASP A 303
 None
 1.14A 6mn5B-4jcmA:
undetectable		 6mn5B-4jcmA:
8.45