SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wba'

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.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 12 LEU A  48
ALA A 159
LEU A 157
VAL A   8
LEU A 120
 None
FAD  A1491 (-4.7A)
None
None
None
 1.30A 1s9pB-2wbaA:
undetectable		 1s9pB-2wbaA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y7I_A_SALA502_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		3 / 3 LEU A 487
HIS A 419
LYS A 388
 None
 1.02A 1y7iA-2wbaA:
undetectable		 1y7iA-2wbaA:
20.20
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.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		3 / 3 ILE A  10
ILE A 328
LEU A 120
 FAD  A1491 (-4.6A)
None
None
 0.54A 2prgA-2wbaA:
undetectable		 2prgA-2wbaA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 6 PHE A 122
PHE A 114
GLY A  13
GLY A  16
 None
None
FAD  A1491 (-3.3A)
None
 0.91A 2qr2A-2wbaA:
undetectable
2qr2B-2wbaA:
undetectable		 2qr2A-2wbaA:
18.67
2qr2B-2wbaA:
18.67
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 5 GLY A  13
GLY A  16
PHE A 122
PHE A 114
 FAD  A1491 (-3.3A)
None
None
None
 0.92A 2qr2A-2wbaA:
undetectable
2qr2B-2wbaA:
undetectable		 2qr2A-2wbaA:
18.67
2qr2B-2wbaA:
18.67
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.
2Y01_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 12 LEU A   7
VAL A  31
THR A 348
ASP A 347
ASN A 340
 None
 1.15A 2y01B-2wbaA:
undetectable		 2y01B-2wbaA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 12 ALA A 465
LEU A 429
GLN A 439
LEU A 445
PHE A 454
 None
 1.05A 3datA-2wbaA:
undetectable		 3datA-2wbaA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GSS_A_EAAA212_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 PHE A 386
VAL A 389
ILE A 378
THR A 374
 None
 1.01A 3gssA-2wbaA:
undetectable		 3gssA-2wbaA:
17.52
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.
3MB5_A_SAMA301_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 4 GLY A 112
GLU A 111
ASP A 105
ASP A 116
 None
 1.43A 3mb5A-2wbaA:
2.9		 3mb5A-2wbaA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		6 / 12 VAL A  33
LEU A  26
LEU A 120
VAL A 346
GLY A 342
ALA A  19
 None
 1.40A 3pghC-2wbaA:
0.8		 3pghC-2wbaA:
22.20
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 12 TYR A 110
GLY A  16
ALA A  12
ILE A 325
GLU A 341
 GOL  A1494 (-4.0A)
None
None
None
None
 1.25A 4azsA-2wbaA:
3.2		 4azsA-2wbaA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASN A 133
VAL A 135
ILE A 156
SER A 131
 None
 1.01A 4eyzA-2wbaA:
undetectable		 4eyzA-2wbaA:
20.12
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.
4EYZ_B_CCSB109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASN A 133
VAL A 135
ILE A 156
SER A 131
 None
 1.02A 4eyzB-2wbaA:
undetectable		 4eyzB-2wbaA:
20.12
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.
4FEU_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 10 SER A 464
ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.39A 4feuC-2wbaA:
0.0		 4feuC-2wbaA:
20.28
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.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.04A 4feuD-2wbaA:
undetectable		 4feuD-2wbaA:
20.28
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.03A 4fevB-2wbaA:
undetectable		 4fevB-2wbaA:
20.28
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.10A 4fevD-2wbaA:
undetectable		 4fevD-2wbaA:
20.28
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.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.10A 4fevF-2wbaA:
undetectable		 4fevF-2wbaA:
20.28
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.01A 4fewB-2wbaA:
undetectable		 4fewB-2wbaA:
20.28
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.14A 4fewD-2wbaA:
undetectable		 4fewD-2wbaA:
20.28
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.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.12A 4fewF-2wbaA:
undetectable		 4fewF-2wbaA:
20.28
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.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.07A 4fexB-2wbaA:
undetectable		 4fexB-2wbaA:
20.28
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.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.09A 4gkhB-2wbaA:
undetectable		 4gkhB-2wbaA:
20.28
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.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.03A 4gkhD-2wbaA:
undetectable		 4gkhD-2wbaA:
20.28
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.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.12A 4gkhF-2wbaA:
undetectable		 4gkhF-2wbaA:
20.28
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.10A 4gkhG-2wbaA:
undetectable		 4gkhG-2wbaA:
20.28
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 6 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.03A 4gkhJ-2wbaA:
undetectable		 4gkhJ-2wbaA:
20.28
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.07A 4gkhC-2wbaA:
undetectable
4gkhK-2wbaA:
undetectable		 4gkhC-2wbaA:
20.28
4gkhK-2wbaA:
20.28
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.13A 4gkiA-2wbaA:
undetectable		 4gkiA-2wbaA:
20.28
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.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.10A 4gkiC-2wbaA:
undetectable		 4gkiC-2wbaA:
20.28
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.09A 4gkiE-2wbaA:
undetectable
4gkiG-2wbaA:
undetectable		 4gkiE-2wbaA:
20.28
4gkiG-2wbaA:
20.28
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 12 GLY A  13
GLY A  49
ALA A  19
VAL A  33
VAL A  31
 FAD  A1491 (-3.3A)
None
None
None
None
 0.95A 4htfA-2wbaA:
2.5		 4htfA-2wbaA:
19.88
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.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 12 GLY A  13
GLY A  49
ALA A  19
VAL A  33
VAL A  31
 FAD  A1491 (-3.3A)
None
None
None
None
 0.94A 4htfB-2wbaA:
2.5		 4htfB-2wbaA:
19.88
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.
4IJI_F_BEZF501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 8 ASN A 107
ALA A  47
SER A  39
TYR A 183
 None
 1.05A 4ijiF-2wbaA:
undetectable		 4ijiF-2wbaA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKK_B_SUZB201_1
(TRANSTHYRETIN)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 SER A 464
LYS A 414
ALA A 413
LEU A 430
 None
 1.03A 4ikkA-2wbaA:
undetectable
4ikkB-2wbaA:
undetectable		 4ikkA-2wbaA:
15.73
4ikkB-2wbaA:
15.73
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 12 GLY A  13
GLY A  49
ALA A  46
ALA A 159
ASP A 327
 FAD  A1491 (-3.3A)
None
FAD  A1491 (-3.6A)
FAD  A1491 (-4.7A)
FAD  A1491 (-2.9A)
 1.14A 4kicA-2wbaA:
3.9		 4kicA-2wbaA:
20.94
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.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 12 GLY A  13
GLY A  49
ALA A  46
ALA A 159
ASP A 327
 FAD  A1491 (-3.3A)
None
FAD  A1491 (-3.6A)
FAD  A1491 (-4.7A)
FAD  A1491 (-2.9A)
 1.12A 4kicB-2wbaA:
3.8		 4kicB-2wbaA:
20.94
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.
4O2B_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		3 / 3 SER A 475
ALA A 390
VAL A 389
 None
 0.65A 4o2bC-2wbaA:
undetectable		 4o2bC-2wbaA:
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		3 / 3 SER A 475
ALA A 390
VAL A 389
 None
 0.61A 4x1iA-2wbaA:
undetectable		 4x1iA-2wbaA:
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.
4ZJZ_B_BEZB601_0
(BENZOATE-COENZYME A
LIGASE)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 8 ALA A 159
VAL A   9
GLY A  15
ALA A 338
GLY A 342
 FAD  A1491 (-4.7A)
None
FAD  A1491 (-3.6A)
FAD  A1491 ( 3.8A)
None
 1.35A 4zjzB-2wbaA:
undetectable		 4zjzB-2wbaA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		4 / 7 VAL A 268
ILE A 169
ASN A 223
PHE A 270
 None
None
NDP  A1496 (-4.0A)
None
 0.80A 5hieC-2wbaA:
undetectable		 5hieC-2wbaA:
20.36
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 11 SER A 109
VAL A  58
GLY A  56
ALA A 181
ASN A 107
 GOL  A1494 (-3.2A)
None
FAD  A1491 ( 3.7A)
None
None
 1.44A 6hu9A-2wbaA:
undetectable
6hu9E-2wbaA:
undetectable
6hu9I-2wbaA:
undetectable		 6hu9A-2wbaA:
21.71
6hu9E-2wbaA:
17.92
6hu9I-2wbaA:
8.74
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.
6HU9_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 2wba TRYPANOTHIONE
REDUCTASE
(Trypanosoma
brucei) 		5 / 10 SER A 109
VAL A  58
GLY A  56
ALA A 181
ASN A 107
 GOL  A1494 (-3.2A)
None
FAD  A1491 ( 3.7A)
None
None
 1.45A 6hu9L-2wbaA:
undetectable
6hu9P-2wbaA:
undetectable
6hu9T-2wbaA:
undetectable		 6hu9L-2wbaA:
21.71
6hu9P-2wbaA:
17.92
6hu9T-2wbaA:
8.74