SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3khj'

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.
1IEP_A_STIA201_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 6 LYS A 180
VAL A 161
VAL A 153
ILE A 179
 None
 1.02A 1iepA-3khjA:
undetectable		 1iepA-3khjA:
24.34
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.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 8 SER A 164
ASN A 191
ILE A 213
GLY A 214
 None
IMP  A 801 ( 4.2A)
None
None
 0.54A 1me7A-3khjA:
42.4		 1me7A-3khjA:
28.85
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.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 GLY A 208
LEU A  35
GLY A 138
ALA A 149
ASP A 186
 None
 1.05A 2bm9F-3khjA:
undetectable		 2bm9F-3khjA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 9 ILE A 255
ILE A 232
GLY A 262
ALA A 264
THR A  11
 None
 1.00A 2dtjA-3khjA:
undetectable
2dtjB-3khjA:
undetectable		 2dtjA-3khjA:
20.46
2dtjB-3khjA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO7_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 MET A 341
LEU A 278
ILE A 261
LEU A 135
VAL A  87
 None
 1.24A 2po7B-3khjA:
undetectable		 2po7B-3khjA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RLC_A_CHDA332_0
(CHOLOYLGLYCINE
HYDROLASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 ILE A 185
ASN A  38
ILE A  46
ILE A 250
THR A  36
 None
 1.17A 2rlcA-3khjA:
undetectable		 2rlcA-3khjA:
25.06
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.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 6 LYS A 180
VAL A 161
VAL A 153
ILE A 179
 None
 1.03A 3ms9A-3khjA:
undetectable		 3ms9A-3khjA:
24.34
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.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 6 LYS A 180
VAL A 161
VAL A 153
ILE A 179
 None
 1.03A 3mssA-3khjA:
undetectable		 3mssA-3khjA:
24.34
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.
3MSS_C_STIC1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 6 LYS A 180
VAL A 161
VAL A 153
ILE A 179
 None
 0.99A 3mssC-3khjA:
undetectable		 3mssC-3khjA:
24.34
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.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		3 / 3 ILE A  43
VAL A 349
ARG A 353
 None
 0.74A 3p73A-3khjA:
undetectable		 3p73A-3khjA:
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.
3S43_A_478A401_2
(PROTEASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 10 GLY A 268
ILE A  15
GLY A 262
ILE A 261
ILE A 232
 None
 1.00A 3s43B-3khjA:
undetectable		 3s43B-3khjA:
15.88
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.
3V4T_A_ACTA502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 5 VAL A  87
SER A  90
GLY A  61
ARG A  64
 None
 1.34A 3v4tA-3khjA:
undetectable
3v4tD-3khjA:
undetectable		 3v4tA-3khjA:
23.97
3v4tD-3khjA:
23.97
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.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 8 ASN A 184
ILE A 185
ASN A  38
ASP A 207
 None
 1.00A 4d33A-3khjA:
undetectable		 4d33A-3khjA:
20.77
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.
4D33_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 7 ASN A 184
ILE A 185
ASN A  38
ASP A 207
 None
 1.01A 4d33B-3khjA:
undetectable		 4d33B-3khjA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 8 SER A 164
ASN A 191
GLY A 214
THR A 221
 None
IMP  A 801 ( 4.2A)
None
None
 0.54A 4fo4B-3khjA:
45.5		 4fo4B-3khjA:
57.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FXS_A_MOAA702_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		7 / 9 ASP A 163
SER A 164
ASN A 191
ILE A 213
GLY A 214
THR A 221
ASP A 252
 None
None
IMP  A 801 ( 4.2A)
None
None
None
IMP  A 801 (-2.5A)
 0.54A 4fxsA-3khjA:
45.4		 4fxsA-3khjA:
43.32
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.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 ALA A 251
LEU A  17
LYS A 370
ALA A 269
GLU A 366
 None
 1.11A 4lg1B-3khjA:
undetectable		 4lg1B-3khjA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 ILE A 188
ILE A 235
GLY A 268
ALA A 269
LEU A  35
 None
 0.94A 4o1zA-3khjA:
undetectable		 4o1zA-3khjA:
21.10
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.
4Q5M_A_ROCA1101_1
(PROTEASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 GLY A 190
ILE A 235
VAL A 159
ILE A  68
THR A  36
 None
 0.97A 4q5mA-3khjA:
undetectable		 4q5mA-3khjA:
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.
4YHA_C_MZMC303_1
(ALPHA-CARBONIC
ANHYDRASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 11 ASP A 186
VAL A 187
VAL A 189
LEU A 176
THR A 175
 None
 1.44A 4yhaC-3khjA:
undetectable		 4yhaC-3khjA:
20.61
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.
5A7M_A_ACTA1923_0
(BETA-XYLOSIDASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		3 / 3 ASP A 260
ARG A 256
TYR A 257
 None
 0.98A 5a7mA-3khjA:
5.9		 5a7mA-3khjA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A7M_B_ACTB1924_0
(BETA-XYLOSIDASE)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		3 / 3 ASP A 260
ARG A 256
TYR A 257
 None
 0.98A 5a7mB-3khjA:
6.3		 5a7mB-3khjA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YWM_X_NIOX403_0
(CASEIN KINASE II
SUBUNIT ALPHA')		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		4 / 7 VAL A 161
VAL A 159
ILE A  68
ILE A  46
 None
 0.72A 5ywmX-3khjA:
undetectable		 5ywmX-3khjA:
12.47
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.
6CE2_B_SVRB202_2
(-)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 LEU A  16
GLY A 259
GLY A 351
ASN A  20
PRO A  19
 None
 1.05A 6ce2B-3khjA:
undetectable		 6ce2B-3khjA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_1
(-)		 3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE
(Cryptosporidium
parvum) 		5 / 12 GLY A  67
LEU A  45
VAL A 345
THR A  36
GLY A 208
 None
 1.17A 6gngA-3khjA:
undetectable		 6gngA-3khjA:
23.05