SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1ji6'

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.
1C4D_A_DVAA8_0
(GRAMICIDIN A)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		3 / 3 VAL A 145
TRP A 151
TRP A 219
 None
 1.27A 1c4dA-1ji6A:
undetectable
1c4dB-1ji6A:
undetectable		 1c4dA-1ji6A:
2.13
1c4dB-1ji6A:
2.13
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.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 LEU A 543
ILE A 629
ALA A 551
SER A 524
LEU A 523
 None
 1.04A 1cqeA-1ji6A:
0.0		 1cqeA-1ji6A:
20.75
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.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 LEU A 543
ILE A 629
ALA A 551
SER A 524
LEU A 523
 None
 1.04A 1cqeB-1ji6A:
0.0		 1cqeB-1ji6A:
20.75
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 8 PHE A 634
ALA A 631
PHE A 581
ILE A 550
 None
 1.09A 1gm7A-1ji6A:
0.3
1gm7B-1ji6A:
0.0		 1gm7A-1ji6A:
17.75
1gm7B-1ji6A:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK2_A_T44A3003_1
(SERUM ALBUMIN)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 6 PHE A 185
LYS A 127
ALA A 130
MET A 111
 None
 1.26A 1hk2A-1ji6A:
2.1		 1hk2A-1ji6A:
21.91
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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 7 PHE A 185
ALA A 130
GLU A 133
LEU A 131
MET A 111
 None
 1.47A 1hk2A-1ji6A:
2.1		 1hk2A-1ji6A:
21.91
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.
1HK3_A_T44A3003_1
(SERUM ALBUMIN)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		3 / 4 LYS A 127
ALA A 130
MET A 111
 None
 0.90A 1hk3A-1ji6A:
0.9		 1hk3A-1ji6A:
21.91
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.
1RU9_H_ACTH611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 6 LEU A 590
ASN A 584
LEU A 627
PHE A 647
 None
 1.25A 1ru9H-1ji6A:
undetectable
1ru9L-1ji6A:
0.0		 1ru9H-1ji6A:
15.93
1ru9L-1ji6A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUK_L_ACTL611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 6 LEU A 590
ASN A 584
LEU A 627
PHE A 647
 None
 1.32A 1rukH-1ji6A:
2.1
1rukL-1ji6A:
0.0		 1rukH-1ji6A:
15.93
1rukL-1ji6A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 11 PHE A 482
HIS A 333
ASP A 336
THR A 367
VAL A 365
 None
 1.08A 1uofA-1ji6A:
undetectable		 1uofA-1ji6A:
19.52
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.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 8 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.91A 1v54C-1ji6A:
3.0
1v54J-1ji6A:
0.0		 1v54C-1ji6A:
19.52
1v54J-1ji6A:
7.62
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 8 TYR A 292
ARG A 569
TYR A 606
THR A 237
 None
 1.49A 1zlqB-1ji6A:
0.0		 1zlqB-1ji6A:
23.30
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 8 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.90A 2dyrC-1ji6A:
3.0
2dyrJ-1ji6A:
undetectable		 2dyrC-1ji6A:
19.52
2dyrJ-1ji6A:
7.62
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.
2DYR_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 8 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.91A 2dyrP-1ji6A:
3.0
2dyrW-1ji6A:
0.0		 2dyrP-1ji6A:
19.52
2dyrW-1ji6A:
7.62
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.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.97A 2eikC-1ji6A:
3.0
2eikJ-1ji6A:
0.0		 2eikC-1ji6A:
19.52
2eikJ-1ji6A:
7.62
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.
2EIL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 8 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.97A 2eilP-1ji6A:
3.0
2eilW-1ji6A:
0.0		 2eilP-1ji6A:
19.52
2eilW-1ji6A:
7.62
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.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 11 LEU A 280
LEU A 283
ILE A  99
THR A  98
LEU A 275
 None
 1.15A 2ft9A-1ji6A:
undetectable		 2ft9A-1ji6A:
15.07
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 LEU A 627
ILE A 592
THR A 614
ASP A 588
ILE A 507
 None
 0.98A 2jn3A-1ji6A:
0.0		 2jn3A-1ji6A:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 4 ALA A 452
VAL A 450
PHE A 310
THR A 422
 None
 1.17A 2pkkA-1ji6A:
undetectable		 2pkkA-1ji6A:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QBL_A_CAMA517_0
(CYTOCHROME P450-CAM)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 PHE A 343
LEU A 476
THR A 403
VAL A 421
 None
 0.78A 2qblA-1ji6A:
0.0		 2qblA-1ji6A:
20.85
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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 338
VAL A 400
THR A 403
VAL A 424
 None
 0.92A 2zaxA-1ji6A:
undetectable		 2zaxA-1ji6A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 4 LEU A 476
GLN A 453
THR A 403
THR A 497
 None
 1.45A 2zj0D-1ji6A:
undetectable		 2zj0D-1ji6A:
22.47
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.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.98A 3ag2C-1ji6A:
3.0		 3ag2C-1ji6A:
19.52
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.97A 3ag2P-1ji6A:
2.9
3ag2W-1ji6A:
0.0		 3ag2P-1ji6A:
19.52
3ag2W-1ji6A:
7.62
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.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.95A 3asnC-1ji6A:
3.0
3asnJ-1ji6A:
0.0		 3asnC-1ji6A:
19.52
3asnJ-1ji6A:
7.62
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.
3ASO_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 8 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.96A 3asoC-1ji6A:
3.0
3asoJ-1ji6A:
undetectable		 3asoC-1ji6A:
19.52
3asoJ-1ji6A:
7.62
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.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 9 LEU A 541
ILE A 592
ILE A 628
VAL A 517
ILE A 642
 None
 1.16A 3d1yB-1ji6A:
undetectable		 3d1yB-1ji6A:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 PRO A 320
THR A 407
VAL A 421
GLY A 420
 None
 1.05A 3elzA-1ji6A:
0.0		 3elzA-1ji6A:
11.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3F78_A_ICFA1_1
(INTEGRIN ALPHA-L)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 9 ILE A 640
TYR A 572
ILE A 642
LEU A 580
LEU A 578
 None
 1.41A 3f78A-1ji6A:
undetectable		 3f78A-1ji6A:
16.44
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.
3F78_B_ICFB2_1
(INTEGRIN ALPHA-L)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 9 ILE A 640
TYR A 572
ILE A 642
LEU A 580
LEU A 578
 None
 1.39A 3f78B-1ji6A:
undetectable		 3f78B-1ji6A:
16.44
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.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 338
VAL A 400
THR A 403
VAL A 424
 None
 0.92A 3fwgB-1ji6A:
undetectable		 3fwgB-1ji6A:
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.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 LEU A 541
ILE A 592
ILE A 628
VAL A 517
ILE A 642
 None
 1.13A 3mwsB-1ji6A:
undetectable		 3mwsB-1ji6A:
10.77
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.96A 3x2qC-1ji6A:
2.9
3x2qJ-1ji6A:
0.0		 3x2qC-1ji6A:
19.52
3x2qJ-1ji6A:
7.62
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.
3X2Q_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.96A 3x2qP-1ji6A:
2.9
3x2qW-1ji6A:
0.0		 3x2qP-1ji6A:
19.52
3x2qW-1ji6A:
7.62
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.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 VAL A 264
GLN A 485
LEU A 312
ILE A 491
GLN A 316
 None
 1.48A 4kukA-1ji6A:
undetectable		 4kukA-1ji6A:
12.52
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.
4NJG_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.84A 4njgA-1ji6A:
undetectable		 4njgA-1ji6A:
16.89
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.
4NJH_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.83A 4njhA-1ji6A:
undetectable		 4njhA-1ji6A:
16.89
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.
4NJH_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.83A 4njhB-1ji6A:
undetectable		 4njhB-1ji6A:
16.89
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.
4NJI_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.82A 4njiA-1ji6A:
undetectable		 4njiA-1ji6A:
16.89
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.
4NJI_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.83A 4njiB-1ji6A:
undetectable		 4njiB-1ji6A:
16.89
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.
4NJJ_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.83A 4njjA-1ji6A:
undetectable		 4njjA-1ji6A:
16.89
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.
4NJJ_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.84A 4njjB-1ji6A:
0.0		 4njjB-1ji6A:
16.89
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.
4NJK_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.85A 4njkA-1ji6A:
undetectable		 4njkA-1ji6A:
16.89
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.
4NJK_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 THR A 378
GLU A 366
ASN A 363
LYS A 392
VAL A 390
 None
 0.84A 4njkB-1ji6A:
undetectable		 4njkB-1ji6A:
16.89
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.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		6 / 12 LEU A 541
ILE A 570
ILE A 592
ILE A 628
VAL A 517
ILE A 642
 None
 1.21A 4q1xB-1ji6A:
undetectable		 4q1xB-1ji6A:
10.44
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 TRP A 100
THR A 204
PHE A  91
GLY A  74
LEU A 280
 None
 1.21A 4uinH-1ji6A:
1.6
4uinL-1ji6A:
0.6		 4uinH-1ji6A:
16.98
4uinL-1ji6A:
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.
5B1A_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.96A 5b1aC-1ji6A:
3.0
5b1aJ-1ji6A:
0.0		 5b1aC-1ji6A:
19.52
5b1aJ-1ji6A:
7.62
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.
5B1A_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.94A 5b1aP-1ji6A:
2.9
5b1aW-1ji6A:
0.0		 5b1aP-1ji6A:
19.52
5b1aW-1ji6A:
7.62
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.
5B3S_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.95A 5b3sC-1ji6A:
3.0
5b3sJ-1ji6A:
0.0		 5b3sC-1ji6A:
19.52
5b3sJ-1ji6A:
7.62
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.
5B3S_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.94A 5b3sP-1ji6A:
3.0		 5b3sP-1ji6A:
19.52
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.
5B6I_A_ADNA302_1
(FLUORINASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 ASP A 425
THR A 440
TYR A 441
THR A 422
 None
 1.28A 5b6iA-1ji6A:
undetectable		 5b6iA-1ji6A:
19.38
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.
5B6I_B_ADNB302_1
(FLUORINASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 6 ASP A 425
THR A 440
TYR A 441
THR A 422
 None
 1.27A 5b6iB-1ji6A:
0.0		 5b6iB-1ji6A:
19.38
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.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 GLU A 646
THR A 513
GLU A 299
LEU A 283
 None
 1.12A 5hm8A-1ji6A:
undetectable		 5hm8A-1ji6A:
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.
5HM8_B_ADNB501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 GLU A 646
THR A 513
GLU A 299
LEU A 283
 None
 1.12A 5hm8B-1ji6A:
undetectable		 5hm8B-1ji6A:
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.
5HM8_C_ADNC501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 GLU A 646
THR A 513
GLU A 299
LEU A 283
 None
 1.12A 5hm8C-1ji6A:
undetectable		 5hm8C-1ji6A:
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.
5HM8_D_ADND501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 GLU A 646
THR A 513
GLU A 299
LEU A 283
 None
 1.12A 5hm8D-1ji6A:
undetectable		 5hm8D-1ji6A:
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.
5HM8_E_ADNE501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 GLU A 646
THR A 513
GLU A 299
LEU A 283
 None
 1.12A 5hm8E-1ji6A:
undetectable		 5hm8E-1ji6A:
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.
5HM8_F_ADNF501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 GLU A 646
THR A 513
GLU A 299
LEU A 283
 None
 1.12A 5hm8F-1ji6A:
undetectable		 5hm8F-1ji6A:
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.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 GLU A 646
THR A 513
GLU A 299
LEU A 283
 None
 1.22A 5hm8G-1ji6A:
undetectable		 5hm8G-1ji6A:
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.
5HM8_H_ADNH501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 GLU A 646
THR A 513
GLU A 299
LEU A 283
 None
 1.12A 5hm8H-1ji6A:
undetectable		 5hm8H-1ji6A:
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.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 9 LEU A 541
ILE A 592
ILE A 628
VAL A 517
ILE A 642
 None
 1.16A 5kr2D-1ji6A:
undetectable		 5kr2D-1ji6A:
10.59
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.
5L6E_B_ACTB401_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 6 GLU A 175
ARG A 232
LEU A 236
ARG A 179
 None
 1.11A 5l6eA-1ji6A:
undetectable
5l6eB-1ji6A:
undetectable		 5l6eA-1ji6A:
16.93
5l6eB-1ji6A:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M0I_B_ACTB303_0
(SWI5-DEPENDENT HO
EXPRESSION PROTEIN 2)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 5 VAL A 568
ASN A 584
ASP A 588
LEU A 590
 None
 1.09A 5m0iB-1ji6A:
0.3		 5m0iB-1ji6A:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UHB_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		3 / 3 PHE A 286
ASP A 288
LEU A  88
 None
 0.60A 5uhbC-1ji6A:
0.0		 5uhbC-1ji6A:
21.00
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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		3 / 3 PHE A 286
ASP A 288
LEU A  88
 None
 0.59A 5uhcC-1ji6A:
undetectable		 5uhcC-1ji6A:
21.00
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		3 / 3 GLY A 319
THR A 495
PRO A 308
 None
 0.61A 5v5zA-1ji6A:
0.0		 5v5zA-1ji6A:
20.39
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.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 4 VAL A 568
LEU A 580
ASN A 584
ASP A 588
 None
 1.34A 5vcyA-1ji6A:
undetectable		 5vcyA-1ji6A:
18.61
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.
5Z84_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.89A 5z84C-1ji6A:
2.9
5z84J-1ji6A:
0.0		 5z84C-1ji6A:
19.52
5z84J-1ji6A:
7.62
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.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.90A 5z85C-1ji6A:
3.0
5z85J-1ji6A:
0.0		 5z85C-1ji6A:
19.52
5z85J-1ji6A:
7.62
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.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.89A 5zcoC-1ji6A:
3.0
5zcoJ-1ji6A:
0.0		 5zcoC-1ji6A:
19.52
5zcoJ-1ji6A:
7.62
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.97A 5zcqC-1ji6A:
3.0
5zcqJ-1ji6A:
0.0		 5zcqC-1ji6A:
19.52
5zcqJ-1ji6A:
7.62
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.
5ZCQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		4 / 7 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.91A 5zcqP-1ji6A:
3.0
5zcqW-1ji6A:
0.0		 5zcqP-1ji6A:
19.52
5zcqW-1ji6A:
7.62
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB
(Bacillus
thuringiensis) 		5 / 12 LEU A 580
ILE A 592
ILE A 642
VAL A 517
ILE A 570
 None
 0.99A 6emuA-1ji6A:
undetectable		 6emuA-1ji6A:
15.32