SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4w5k'

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.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 10 LEU A 316
VAL A 317
ILE A 332
LYS A 145
LEU A 344
 None
None
None
EDO  A 502 (-3.0A)
None
 1.18A 1cqpA-4w5kA:
undetectable
1cqpB-4w5kA:
2.2		 1cqpA-4w5kA:
18.98
1cqpB-4w5kA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7A_A_PFLA4001_1
(SERUM ALBUMIN)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 9 LEU A 316
ILE A 332
LEU A 352
GLY A 343
ALA A 340
 None
None
None
EDO  A 502 (-3.5A)
None
 1.00A 1e7aA-4w5kA:
undetectable		 1e7aA-4w5kA:
21.30
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.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		3 / 3 ALA A  46
VAL A 285
TRP A 298
 None
 0.97A 1gmkA-4w5kA:
undetectable
1gmkB-4w5kA:
undetectable		 1gmkA-4w5kA:
3.61
1gmkB-4w5kA:
3.61
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.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		4 / 8 PHE A 235
GLY A  92
LEU A  96
VAL A 200
 None
PLP  A 500 (-3.6A)
None
None
 1.05A 1gsfA-4w5kA:
undetectable		 1gsfA-4w5kA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		4 / 8 PHE A 235
GLY A  92
LEU A  96
VAL A 200
 None
PLP  A 500 (-3.6A)
None
None
 1.05A 1gsfB-4w5kA:
undetectable		 1gsfB-4w5kA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		4 / 8 PHE A 235
GLY A  92
LEU A  96
VAL A 200
 None
PLP  A 500 (-3.6A)
None
None
 1.05A 1gsfD-4w5kA:
undetectable		 1gsfD-4w5kA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 9 LEU A 134
GLY A 131
VAL A 164
GLY A  99
ILE A 113
 None
 1.03A 1hpvA-4w5kA:
undetectable		 1hpvA-4w5kA:
15.32
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.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 11 LEU A 320
GLU A 333
ILE A 332
LEU A 352
LEU A 344
 None
 1.11A 1mrqA-4w5kA:
undetectable		 1mrqA-4w5kA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P91_B_SAMB2401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 316
GLY A 176
GLY A 337
ILE A 332
LEU A 352
 None
 1.11A 1p91B-4w5kA:
2.5		 1p91B-4w5kA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 VAL A 263
LEU A 266
SER A 264
VAL A  57
GLY A  59
 None
 1.08A 1pxxC-4w5kA:
undetectable		 1pxxC-4w5kA:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 ILE A 230
GLN A 233
LEU A 249
ALA A 248
VAL A 164
 None
 1.10A 1xdkA-4w5kA:
undetectable		 1xdkA-4w5kA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XOT_A_VDNA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 249
ILE A 126
MET A 132
PHE A 199
ILE A 230
 None
 1.39A 1xotA-4w5kA:
undetectable		 1xotA-4w5kA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		4 / 5 GLY A 206
GLN A 211
VAL A 336
SER A 306
 None
 1.41A 1zzuB-4w5kA:
undetectable		 1zzuB-4w5kA:
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		4 / 7 LEU A 362
GLY A 364
THR A 342
ILE A 383
 None
 0.99A 2bdmA-4w5kA:
undetectable		 2bdmA-4w5kA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 156
GLU A 154
GLY A 151
TYR A 137
ALA A 150
 None
 1.16A 2br4B-4w5kA:
2.9		 2br4B-4w5kA:
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.
2F8D_A_BEZA1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 10 GLY A 100
LEU A  96
ILE A 126
LEU A 134
ILE A 113
 None
 1.05A 2f8dA-4w5kA:
1.5		 2f8dA-4w5kA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8D_B_BEZB1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 10 GLY A 100
LEU A  96
ILE A 126
LEU A 134
ILE A 113
 None
 1.03A 2f8dB-4w5kA:
undetectable		 2f8dB-4w5kA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IDW_B_017B401_1
(PROTEASE)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 11 LEU A 294
VAL A 285
GLY A 240
ALA A  46
ILE A 288
 None
 1.04A 2idwA-4w5kA:
undetectable		 2idwA-4w5kA:
13.81
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.
2ZD1_A_T27A557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 134
VAL A 118
TYR A 137
TYR A 139
PRO A 174
 None
 1.34A 2zd1A-4w5kA:
1.1		 2zd1A-4w5kA:
19.72
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.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 10 ALA A 169
ILE A 251
LEU A 229
ILE A 113
ILE A 126
 None
 1.04A 3prsA-4w5kA:
undetectable		 3prsA-4w5kA:
20.38
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.
3R9T_A_BEZA264_0
(ECHA1_1)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		4 / 8 ILE A 383
LEU A 316
ALA A 340
MET A 360
 None
 0.76A 3r9tA-4w5kA:
undetectable		 3r9tA-4w5kA:
24.29
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.
3R9T_B_BEZB264_0
(ECHA1_1)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		4 / 7 ILE A 383
LEU A 316
ALA A 340
MET A 360
 None
 0.84A 3r9tB-4w5kA:
undetectable		 3r9tB-4w5kA:
24.29
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.
3SP9_B_IL2B901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 VAL A 218
ILE A 113
LEU A 156
VAL A 187
HIS A 123
 None
 1.13A 3sp9B-4w5kA:
undetectable		 3sp9B-4w5kA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ID5_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 134
TYR A 137
TYR A 139
PRO A 174
PRO A 121
 None
 1.14A 4id5A-4w5kA:
0.8		 4id5A-4w5kA:
19.72
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.
4IFV_A_T27A601_1
(EXORIBONUCLEASE H,
P66 RT)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 134
TYR A 137
TYR A 139
PRO A 174
PRO A 121
 None
 1.14A 4ifvA-4w5kA:
0.3		 4ifvA-4w5kA:
19.72
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.
4IFY_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 134
TYR A 137
TYR A 139
PRO A 174
PRO A 121
 None
 1.10A 4ifyA-4w5kA:
undetectable		 4ifyA-4w5kA:
19.72
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.
4IG3_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 134
TYR A 137
TYR A 139
PRO A 174
PRO A 121
 None
 1.10A 4ig3A-4w5kA:
0.9		 4ig3A-4w5kA:
19.72
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.
4JTQ_A_FLPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 10 TRP A 329
VAL A 317
ILE A 332
LEU A 352
LEU A 344
 EDO  A 502 (-4.0A)
None
None
None
None
 1.38A 4jtqA-4w5kA:
undetectable		 4jtqA-4w5kA:
23.61
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.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 LEU A 371
LEU A  25
SER A 380
ILE A 383
LEU A 344
 None
 1.10A 4ky8A-4w5kA:
undetectable		 4ky8A-4w5kA:
20.37
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.
4LB0_A_ACTA401_0
(UNCHARACTERIZED
PROTEIN)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 9 GLY A  92
SER A 234
SER A 236
GLY A  91
THR A  93
 PLP  A 500 (-3.6A)
PLP  A 500 (-2.5A)
PLP  A 500 (-2.9A)
PLP  A 500 (-3.4A)
PLP  A 500 (-3.6A)
 1.39A 4lb0A-4w5kA:
undetectable		 4lb0A-4w5kA:
23.62
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.
4RP9_A_ASCA501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 HIS A 123
ASP A 201
ALA A 232
ILE A 113
PHE A 199
 None
PLP  A 500 (-2.7A)
None
None
None
 1.41A 4rp9A-4w5kA:
undetectable		 4rp9A-4w5kA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		4 / 5 TYR A 204
GLY A  28
TYR A 242
GLY A 243
 PLP  A 500 (-4.4A)
None
None
None
 0.91A 5ayfA-4w5kA:
undetectable		 5ayfA-4w5kA:
20.65
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.
5JI0_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 11 ILE A 230
GLN A 233
LEU A 249
ALA A 248
VAL A 164
 None
 1.20A 5ji0A-4w5kA:
undetectable		 5ji0A-4w5kA:
20.65
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.
5KOX_A_RFPA502_1
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL
(Trypanosoma
brucei) 		5 / 12 PHE A  63
GLY A  99
ILE A  98
THR A  58
GLY A  59
 None
 0.94A 5koxA-4w5kA:
undetectable		 5koxA-4w5kA:
23.91