SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5dqn'

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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 162
LEU A 226
LEU A 365
GLY A 362
ALA A 122
 None
None
HEM  A 501 (-4.5A)
HEM  A 501 (-3.5A)
None
 1.08A 1tlsA-5dqnA:
undetectable		 1tlsA-5dqnA:
19.67
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.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 162
LEU A 226
LEU A 365
GLY A 362
ALA A 122
 None
None
HEM  A 501 (-4.5A)
HEM  A 501 (-3.5A)
None
 1.10A 1tlsB-5dqnA:
undetectable		 1tlsB-5dqnA:
19.67
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 162
LEU A 226
LEU A 365
GLY A 362
ALA A 122
 None
None
HEM  A 501 (-4.5A)
HEM  A 501 (-3.5A)
None
 1.09A 1tsnA-5dqnA:
undetectable		 1tsnA-5dqnA:
19.67
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.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		4 / 5 LEU A 226
ALA A 211
LEU A 236
SER A 237
 None
 1.00A 1tt6B-5dqnA:
undetectable		 1tt6B-5dqnA:
15.46
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.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 SER A 323
GLY A 396
LEU A  13
VAL A  24
PRO A  23
 None
PO4  A 502 (-3.7A)
None
None
None
 1.18A 1vpoH-5dqnA:
undetectable
1vpoL-5dqnA:
undetectable		 1vpoH-5dqnA:
19.85
1vpoL-5dqnA:
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.
2AOF_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		4 / 5 LEU A 165
PRO A 158
ALA A 161
ILE A 162
 None
 1.05A 2aofB-5dqnA:
undetectable		 2aofB-5dqnA:
13.60
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.
2OPX_A_DXCA1003_0
(ALDEHYDE
DEHYDROGENASE A)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		4 / 5 ILE A 162
LEU A 248
ALA A 163
PHE A 241
 None
HEM  A 501 (-4.5A)
None
None
 1.05A 2opxA-5dqnA:
undetectable		 2opxA-5dqnA:
23.80
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.
2QHF_A_ACTA503_0
(CHORISMATE SYNTHASE)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		4 / 5 GLN A 300
THR A 302
ARG A 319
ARG A  89
 None
 1.34A 2qhfA-5dqnA:
undetectable		 2qhfA-5dqnA:
23.79
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.
3E4E_A_4PZA501_1
(CYTOCHROME P450 2E1)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ALA A 251
THR A 255
CYH A 360
 1PE  A 505 ( 3.4A)
HEM  A 501 (-3.8A)
HEM  A 501 (-2.3A)
 0.50A 3e4eA-5dqnA:
28.5		 3e4eA-5dqnA:
25.25
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ALA A 251
THR A 255
CYH A 360
 1PE  A 505 ( 3.4A)
HEM  A 501 (-3.8A)
HEM  A 501 (-2.3A)
 0.46A 3e4eB-5dqnA:
28.4		 3e4eB-5dqnA:
25.25
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 PHE A 241
GLY A 117
ILE A 123
ASP A 221
LEU A 165
 None
 1.17A 3iv6B-5dqnA:
undetectable		 3iv6B-5dqnA:
19.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ILE A  80
GLN A  95
VAL A  98
MET A 183
VAL A 246
VAL A 250
 None
1PE  A 505 (-3.6A)
1PE  A 505 ( 4.6A)
None
None
1PE  A 505 (-4.4A)
 0.86A 3iw1A-5dqnA:
64.2		 3iw1A-5dqnA:
72.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		8 / 12 ILE A  80
VAL A  98
MET A 183
PRO A 196
SER A 200
ILE A 204
VAL A 246
VAL A 250
 None
1PE  A 505 ( 4.6A)
None
None
1PE  A 505 ( 4.4A)
None
None
1PE  A 505 (-4.4A)
 0.73A 3iw1A-5dqnA:
64.2		 3iw1A-5dqnA:
72.91
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.
3K13_C_THHC643_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASN A  18
ASP A  11
ARG A 301
 None
None
HEM  A 501 (-3.0A)
 0.88A 3k13C-5dqnA:
undetectable		 3k13C-5dqnA:
22.27
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_B_FLPB701_1
(CYCLOOXYGENASE-2)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 11 VAL A 296
LEU A 398
VAL A 250
GLY A 252
ALA A 251
 None
None
1PE  A 505 (-4.4A)
HEM  A 501 (-3.4A)
1PE  A 505 ( 3.4A)
 1.14A 3pghB-5dqnA:
undetectable		 3pghB-5dqnA:
22.50
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.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		6 / 12 LEU A 236
GLY A 117
ILE A 114
ARG A 125
ASP A 221
LEU A 248
 None
None
None
None
None
HEM  A 501 (-4.5A)
 1.35A 3uj6A-5dqnA:
undetectable		 3uj6A-5dqnA:
19.82
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.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 TYR A 324
TYR A  83
GLY A  78
ALA A  79
LEU A 100
 HEM  A 501 (-4.6A)
None
None
HEM  A 501 (-3.5A)
HEM  A 501 ( 4.5A)
 1.13A 4coxA-5dqnA:
undetectable		 4coxA-5dqnA:
22.50
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.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 TYR A 324
TYR A  83
GLY A  78
ALA A  79
LEU A 100
 HEM  A 501 (-4.6A)
None
None
HEM  A 501 (-3.5A)
HEM  A 501 ( 4.5A)
 1.14A 4coxB-5dqnA:
undetectable		 4coxB-5dqnA:
22.50
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 TYR A 324
TYR A  83
GLY A  78
ALA A  79
LEU A 100
 HEM  A 501 (-4.6A)
None
None
HEM  A 501 (-3.5A)
HEM  A 501 ( 4.5A)
 1.14A 4coxC-5dqnA:
undetectable		 4coxC-5dqnA:
22.50
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.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 12 TYR A 324
TYR A  83
GLY A  78
ALA A  79
LEU A 100
 HEM  A 501 (-4.6A)
None
None
HEM  A 501 (-3.5A)
HEM  A 501 ( 4.5A)
 1.14A 4coxD-5dqnA:
undetectable		 4coxD-5dqnA:
22.50
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.
4DUB_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		4 / 6 PHE A 241
ALA A 207
LEU A 166
VAL A 168
 None
 1.03A 4dubA-5dqnA:
29.5		 4dubA-5dqnA:
23.24
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.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ARG A 173
LEU A 176
SER A 180
LEU A 248
LEU A 203
 None
None
None
HEM  A 501 (-4.5A)
None
 1.44A 4or0A-5dqnA:
undetectable		 4or0A-5dqnA:
22.45
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.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5dqn CYTOCHROME P450
CYP125
(Mycolicibacteriu
m
smegmatis) 		4 / 4 GLY A  46
VAL A  92
PHE A 299
ILE A  80
 None
None
HEM  A 501 (-4.2A)
None
 1.08A 4xv2B-5dqnA:
undetectable		 4xv2B-5dqnA:
19.10