SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qji'

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.
2ACL_A_REAA502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 277
ALA A 196
PHE A 332
ALA A 278
ILE A 405
 CTP  A 500 (-4.8A)
None
None
None
None
 1.00A 2aclA-4qjiA:
undetectable
2aclE-4qjiA:
undetectable		 2aclA-4qjiA:
23.08
2aclE-4qjiA:
23.08
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.
2ACL_C_REAC503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 277
ALA A 196
PHE A 332
ALA A 278
ILE A 405
 CTP  A 500 (-4.8A)
None
None
None
None
 1.05A 2aclC-4qjiA:
undetectable		 2aclC-4qjiA:
23.08
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.
2ACL_E_REAE504_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A 277
ALA A 196
PHE A 332
ALA A 278
ILE A 405
 CTP  A 500 (-4.8A)
None
None
None
None
 1.04A 2aclE-4qjiA:
undetectable		 2aclE-4qjiA:
23.08
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.
2NYU_A_SAMA201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 277
GLY A 197
LEU A 311
VAL A 330
LEU A 359
 CTP  A 500 (-4.8A)
None
CTP  A 500 (-3.9A)
None
None
 1.04A 2nyuA-4qjiA:
5.2		 2nyuA-4qjiA:
23.87
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.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 313
ARG A 260
LEU A 259
VAL A 279
MET A 275
 None
None
None
CTP  A 500 (-4.1A)
CTP  A 500 (-4.4A)
 0.88A 3adxB-4qjiA:
undetectable		 3adxB-4qjiA:
21.96
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.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 277
ALA A 196
PHE A 332
ALA A 278
ILE A 405
 CTP  A 500 (-4.8A)
None
None
None
None
 1.04A 3falA-4qjiA:
undetectable		 3falA-4qjiA:
23.08
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.
3FAL_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 277
ALA A 196
PHE A 332
ALA A 278
ILE A 405
 CTP  A 500 (-4.8A)
None
None
None
None
 0.99A 3falC-4qjiA:
undetectable		 3falC-4qjiA:
23.08
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.
3FC6_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ALA A 277
ALA A 196
PHE A 332
ALA A 278
ILE A 405
 CTP  A 500 (-4.8A)
None
None
None
None
 0.99A 3fc6A-4qjiA:
undetectable		 3fc6A-4qjiA:
23.08
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.
3ME6_C_CGEC501_1
(CYTOCHROME P450 2B4)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 VAL A 221
ILE A 401
ALA A 406
VAL A 272
VAL A 330
 None
 1.19A 3me6C-4qjiA:
undetectable		 3me6C-4qjiA:
20.13
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 VAL A 221
ILE A 401
ALA A 406
VAL A 272
VAL A 330
 None
 1.14A 3me6D-4qjiA:
undetectable		 3me6D-4qjiA:
20.13
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 VAL A 190
ALA A 230
GLY A 229
ALA A 398
LEU A 409
 None
 1.05A 3qxyA-4qjiA:
undetectable		 3qxyA-4qjiA:
22.67
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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 VAL A 190
ALA A 230
GLY A 229
ALA A 398
LEU A 409
 None
 1.06A 3rc0A-4qjiA:
undetectable		 3rc0A-4qjiA:
22.67
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 VAL A 190
ALA A 230
GLY A 229
ALA A 398
LEU A 409
 None
 1.08A 3rc0B-4qjiA:
undetectable		 3rc0B-4qjiA:
22.67
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.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ASN A 211
ALA A 278
GLY A 198
THR A 199
 None
 1.26A 4bboC-4qjiA:
undetectable		 4bboC-4qjiA:
18.94
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.
4J7X_B_SASB804_2
(SEPIAPTERIN
REDUCTASE)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 LEU A 389
MET A 397
ASP A 357
 None
 0.79A 4j7xB-4qjiA:
8.0		 4j7xB-4qjiA:
26.03
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.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.29A 4qw1H-4qjiA:
undetectable
4qw1I-4qjiA:
undetectable		 4qw1H-4qjiA:
23.60
4qw1I-4qjiA:
21.37
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.
4QW1_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.28A 4qw1V-4qjiA:
undetectable
4qw1W-4qjiA:
undetectable		 4qw1V-4qjiA:
23.60
4qw1W-4qjiA:
21.37
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ASN A 307
VAL A 263
ASP A 261
THR A 257
LEU A 273
 None
 1.50A 5jh7B-4qjiA:
5.2		 5jh7B-4qjiA:
20.18
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.
5L5Z_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.29A 5l5zH-4qjiA:
undetectable
5l5zI-4qjiA:
undetectable		 5l5zH-4qjiA:
23.60
5l5zI-4qjiA:
21.37
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.
5L5Z_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.29A 5l5zV-4qjiA:
undetectable
5l5zW-4qjiA:
undetectable		 5l5zV-4qjiA:
23.60
5l5zW-4qjiA:
21.37
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.
5L66_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.28A 5l66H-4qjiA:
undetectable
5l66I-4qjiA:
undetectable		 5l66H-4qjiA:
23.60
5l66I-4qjiA:
21.37
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.
5L66_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 4qji PHOSPHOPANTOTHENOYLC
YSTEINE
DECARBOXYLASE/PHOSPH
OPANTOTHENATE--CYSTE
INE LIGASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A 239
SER A 213
ALA A 236
GLY A 237
ALA A 277
 None
None
None
None
CTP  A 500 (-4.8A)
 1.28A 5l66V-4qjiA:
undetectable
5l66W-4qjiA:
undetectable		 5l66V-4qjiA:
23.60
5l66W-4qjiA:
21.37