SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mes'

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.
2AOW_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		4 / 7 GLN A 270
TRP A 371
TRP A 374
GLU A 287
 PT3  A 428 (-3.6A)
DME  A 427 (-3.5A)
DME  A 427 (-4.8A)
PT3  A 428 ( 4.0A)
 1.40A 2aowA-3mesA:
undetectable		 2aowA-3mesA:
23.04
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 7 ILE A  78
PRO A 137
ILE A 152
LEU A 275
ILE A 284
 None
ADP  A 425 ( 4.7A)
ADP  A 425 (-4.4A)
None
None
 0.81A 2q83A-3mesA:
12.3		 2q83A-3mesA:
20.74
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.
2Q83_B_ADNB2_1
(YTAA PROTEIN)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		4 / 6 ILE A  78
PRO A 137
LEU A 275
ILE A 284
 None
ADP  A 425 ( 4.7A)
None
None
 0.92A 2q83B-3mesA:
17.0		 2q83B-3mesA:
20.74
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.
2WEK_A_DIFA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		3 / 3 LEU A 338
TYR A 337
GLN A 340
 None
 0.71A 2wekA-3mesA:
undetectable		 2wekA-3mesA:
21.23
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.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 12 PHE A 199
ALA A 294
ALA A 259
LEU A 417
MET A 240
 None
 1.33A 2x2nC-3mesA:
undetectable		 2x2nC-3mesA:
22.92
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.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 12 PHE A 199
ALA A 294
ALA A 259
LEU A 417
MET A 240
 None
 1.27A 2x2nD-3mesA:
undetectable		 2x2nD-3mesA:
22.92
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.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		4 / 5 ILE A 355
PHE A 422
PRO A 258
PHE A 293
 None
 1.27A 2ygnA-3mesA:
undetectable		 2ygnA-3mesA:
15.48
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		4 / 7 GLU A 271
TYR A 301
GLU A 304
TYR A 309
 MG  A 430 (-1.9A)
None
DME  A 427 ( 3.8A)
DME  A 427 (-4.4A)
 1.37A 3ku9B-3mesA:
undetectable		 3ku9B-3mesA:
24.00
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.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		3 / 3 ARG A 108
ASP A 268
GLN A 270
 ADP  A 425 (-2.6A)
PT3  A 428 ( 2.4A)
PT3  A 428 (-3.6A)
 0.87A 4azsA-3mesA:
3.5		 4azsA-3mesA:
22.26
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 12 GLY A 372
ALA A 395
ASN A 396
ILE A 369
ILE A 232
 None
 1.13A 4aztA-3mesA:
7.3		 4aztA-3mesA:
22.26
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.
4AZV_A_SAMA1474_0
(WBDD)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 12 GLY A 176
ALA A 172
ILE A 180
LEU A 338
SER A 339
 None
 0.94A 4azvA-3mesA:
3.5		 4azvA-3mesA:
22.26
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.
4AZV_A_SAMA1474_0
(WBDD)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 12 GLY A 176
ASN A 174
ILE A 180
LEU A 338
SER A 339
 None
 0.99A 4azvA-3mesA:
3.5		 4azvA-3mesA:
22.26
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.
4DTA_B_ADNB401_1
(APH(2'')-ID)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		4 / 8 PRO A 137
ILE A 152
LEU A 275
ILE A 284
 ADP  A 425 ( 4.7A)
ADP  A 425 (-4.4A)
None
None
 0.54A 4dtaB-3mesA:
15.9		 4dtaB-3mesA:
23.60
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.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		4 / 6 ASN A 134
ARG A 282
TYR A 286
LEU A 130
 None
 1.23A 4f8yA-3mesA:
undetectable
4f8yB-3mesA:
undetectable		 4f8yA-3mesA:
17.99
4f8yB-3mesA:
17.99
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.
4L78_A_ACTA1327_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		4 / 4 VAL A 360
THR A 357
GLU A 361
GLU A 327
 None
 1.07A 4l78A-3mesA:
undetectable		 4l78A-3mesA:
14.81
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.
4LA0_A_198A601_1
(SERUM ALBUMIN)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 10 ALA A 294
PHE A 363
GLU A 361
PHE A 260
LEU A 421
 None
 1.46A 4la0A-3mesA:
undetectable		 4la0A-3mesA:
19.57
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.
5BMV_C_VLBC507_2
(TUBULIN ALPHA-1B
CHAIN)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 7 PRO A 103
ILE A 148
PHE A 107
VAL A  89
ILE A  91
 None
 1.20A 5bmvC-3mesA:
undetectable		 5bmvC-3mesA:
21.16
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.
5Z12_B_9CRB501_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		3 / 3 GLN A  77
ILE A 140
HIS A 102
 None
 0.71A 5z12B-3mesA:
undetectable		 5z12B-3mesA:
12.50
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		 3mes CHOLINE KINASE
(Cryptosporidium
parvum) 		5 / 12 LEU A 338
ASP A 297
GLY A 295
ILE A 291
LEU A 262
 None
 1.13A 6dwnC-3mesA:
undetectable		 6dwnC-3mesA:
10.34