SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4ddq'

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.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		6 / 12 ILE A 305
LEU A 264
PRO A 265
VAL A 268
LEU A 273
ILE A 303
 None
 1.34A 1df7A-4ddqA:
undetectable		 1df7A-4ddqA:
16.70
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.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 9 ALA A 233
GLY A 215
ILE A 213
ILE A 183
ILE A 332
 None
 0.93A 1hshB-4ddqA:
undetectable		 1hshB-4ddqA:
12.39
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.
1UWJ_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		3 / 3 ILE A 230
ASP A 217
PHE A 218
 None
 0.53A 1uwjB-4ddqA:
undetectable		 1uwjB-4ddqA:
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.
1WRL_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 6 VAL A 268
LEU A 273
MET A 301
SER A 296
 None
 1.04A 1wrlB-4ddqA:
undetectable		 1wrlB-4ddqA:
9.78
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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 8 PHE A 479
ASN A 480
GLU A 190
GLY A 189
 None
 0.95A 1ykiA-4ddqA:
undetectable
1ykiB-4ddqA:
undetectable		 1ykiA-4ddqA:
19.35
1ykiB-4ddqA:
19.35
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.
1YKI_B_NFZB2219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 8 PHE A 479
ASN A 480
GLU A 190
GLY A 189
 None
 0.93A 1ykiA-4ddqA:
undetectable
1ykiB-4ddqA:
undetectable		 1ykiA-4ddqA:
19.35
1ykiB-4ddqA:
19.35
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.
1YKI_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 8 PHE A 479
ASN A 480
GLU A 190
GLY A 189
 None
 0.94A 1ykiC-4ddqA:
undetectable
1ykiD-4ddqA:
undetectable		 1ykiC-4ddqA:
19.35
1ykiD-4ddqA:
19.35
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.
1YKI_D_NFZD4219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 8 PHE A 479
ASN A 480
GLU A 190
GLY A 189
 None
 0.96A 1ykiC-4ddqA:
undetectable
1ykiD-4ddqA:
undetectable		 1ykiC-4ddqA:
19.35
1ykiD-4ddqA:
19.35
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.
2DU8_B_BEZB1352_0
(D-AMINO-ACID OXIDASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 6 LEU A 347
TYR A 234
ILE A 213
GLY A 171
 None
 0.94A 2du8B-4ddqA:
undetectable		 2du8B-4ddqA:
20.32
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.
2QBO_A_CAMA442_0
(CYTOCHROME P450-CAM)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 10 VAL A  45
VAL A  71
ASP A  83
ILE A  75
VAL A  74
 None
 1.19A 2qboA-4ddqA:
undetectable		 2qboA-4ddqA:
23.02
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_ACTA508_0
(CHORISMATE SYNTHASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 5 LEU A 387
ARG A 384
ALA A 386
ILE A 440
 None
 1.10A 2qhfA-4ddqA:
2.1		 2qhfA-4ddqA:
22.24
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.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 11 ILE A 332
GLY A 239
GLY A 229
PRO A 184
ILE A 230
 None
 1.42A 2y7kA-4ddqA:
undetectable		 2y7kA-4ddqA:
17.60
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.
2Y7P_A_SALA1000_1
(LYSR-TYPE REGULATORY
PROTEIN)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 10 ILE A 332
GLY A 239
GLY A 229
PRO A 184
ILE A 230
 None
 1.49A 2y7pA-4ddqA:
undetectable		 2y7pA-4ddqA:
17.60
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.
3EBZ_B_017B201_1
(PROTEASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 11 ALA A 233
GLY A 215
ILE A 213
ILE A 183
ILE A 332
 None
 0.96A 3ebzA-4ddqA:
undetectable		 3ebzA-4ddqA:
12.39
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.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 6 ARG A 483
PHE A 218
TYR A 266
PRO A 216
 None
 1.37A 3jqaA-4ddqA:
undetectable		 3jqaA-4ddqA:
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.
3JQA_C_DX4C270_0
(PTERIDINE REDUCTASE
1)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 6 ARG A 483
PHE A 218
TYR A 266
PRO A 216
 None
 1.30A 3jqaC-4ddqA:
undetectable		 3jqaC-4ddqA:
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.
3JQA_D_DX4D270_0
(PTERIDINE REDUCTASE
1)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 6 ARG A 483
PHE A 218
TYR A 266
PRO A 216
 None
 1.33A 3jqaD-4ddqA:
undetectable		 3jqaD-4ddqA:
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.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 GLY A 237
LEU A 345
ILE A 230
ILE A 213
PRO A 184
 None
 1.06A 3mb5A-4ddqA:
undetectable		 3mb5A-4ddqA:
21.26
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 LEU A 347
VAL A 198
GLY A 194
PRO A 214
TYR A 234
 None
 1.21A 3mecA-4ddqA:
4.6		 3mecA-4ddqA:
23.00
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.
3Q5P_A_TACA7101_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 ASN A 170
TYR A 101
ILE A 224
GLU A 190
ILE A 191
 None
 1.37A 3q5pA-4ddqA:
1.0		 3q5pA-4ddqA:
20.88
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.
3Q5P_A_TACA7101_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 ASN A 170
TYR A 101
ILE A 230
GLU A 190
ILE A 191
 None
 1.42A 3q5pA-4ddqA:
1.0		 3q5pA-4ddqA:
20.88
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.
3Q5P_A_TACA7101_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 ASN A 170
TYR A 101
ILE A 487
GLU A 190
ILE A 191
 None
 1.28A 3q5pA-4ddqA:
1.0		 3q5pA-4ddqA:
20.88
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.
3S45_B_478B201_1
(PROTEASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 9 ALA A 233
GLY A 215
ILE A 213
ILE A 183
ILE A 332
 None
 0.98A 3s45A-4ddqA:
undetectable		 3s45A-4ddqA:
12.39
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.
3S45_B_478B201_2
(PROTEASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 11 ALA A 233
GLY A 215
ILE A 213
ILE A 183
ILE A 332
 None
 0.88A 3s45B-4ddqA:
undetectable		 3s45B-4ddqA:
12.39
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.
3W1W_A_CHDA1504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 4 PRO A 165
LEU A 472
ILE A 468
ARG A 469
 None
 1.28A 3w1wA-4ddqA:
undetectable		 3w1wA-4ddqA:
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.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 ARG A 238
ILE A 224
GLY A 331
SER A 240
GLY A 229
 None
 0.88A 4e1gB-4ddqA:
0.4		 4e1gB-4ddqA:
22.40
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		3 / 3 GLY A 106
GLU A 125
THR A 124
 None
 0.54A 4kouA-4ddqA:
undetectable		 4kouA-4ddqA:
16.49
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.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 HIS A 186
ILE A 213
ILE A 241
ALA A 233
ILE A 487
 None
 1.09A 4rp8C-4ddqA:
1.9		 4rp8C-4ddqA:
22.28
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.
4X1K_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 LEU A 292
LYS A 270
LEU A 273
THR A 328
ALA A 247
 None
 1.22A 4x1kA-4ddqA:
undetectable
4x1kB-4ddqA:
undetectable		 4x1kA-4ddqA:
24.30
4x1kB-4ddqA:
22.30
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.
5ESL_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 5 ALA A 180
PRO A 184
GLY A 189
LEU A 347
 None
 0.90A 5eslA-4ddqA:
0.7		 5eslA-4ddqA:
21.74
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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 VAL A  45
HIS A  81
ALA A  85
SER A  89
GLY A  72
 None
 1.20A 5m54E-4ddqA:
3.7		 5m54E-4ddqA:
22.81
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 5 GLY A  41
ASP A  40
MET A 160
GLN A 147
 None
 1.30A 5ubbA-4ddqA:
undetectable		 5ubbA-4ddqA:
19.81
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 4 LEU A 410
LEU A 425
SER A 400
ALA A 403
 None
 1.08A 5uunA-4ddqA:
undetectable		 5uunA-4ddqA:
21.24
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.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 6 ILE A 183
ILE A 131
LEU A 103
HIS A  46
 None
 1.01A 5vkqA-4ddqA:
4.0
5vkqB-4ddqA:
4.1		 5vkqA-4ddqA:
14.57
5vkqB-4ddqA:
14.57
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.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 7 PHE A 218
HIS A 186
ILE A 213
THR A 485
 None
 0.97A 5vkqA-4ddqA:
4.1
5vkqD-4ddqA:
4.0		 5vkqA-4ddqA:
14.57
5vkqD-4ddqA:
14.57
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.
5VKQ_B_PCFB1802_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 7 THR A 485
PHE A 218
HIS A 186
ILE A 213
 None
 1.01A 5vkqA-4ddqA:
4.1
5vkqB-4ddqA:
4.1		 5vkqA-4ddqA:
14.57
5vkqB-4ddqA:
14.57
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.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 8 THR A 485
PHE A 218
HIS A 186
ILE A 213
 None
 1.01A 5vkqB-4ddqA:
4.1
5vkqC-4ddqA:
4.1		 5vkqB-4ddqA:
14.57
5vkqC-4ddqA:
14.57
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.
5VKQ_D_PCFD1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 7 THR A 485
PHE A 218
HIS A 186
ILE A 213
 None
 0.99A 5vkqC-4ddqA:
4.1
5vkqD-4ddqA:
4.1		 5vkqC-4ddqA:
14.57
5vkqD-4ddqA:
14.57
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.
5VKQ_D_PCFD1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		4 / 6 ILE A 183
ILE A 131
LEU A 103
HIS A  46
 None
 1.00A 5vkqA-4ddqA:
4.0
5vkqD-4ddqA:
4.1		 5vkqA-4ddqA:
14.57
5vkqD-4ddqA:
14.57
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.
6J20_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 4ddq DNA GYRASE SUBUNIT A
(Bacillus
subtilis) 		5 / 12 PRO A 185
VAL A 169
ILE A 224
TYR A 234
ILE A 191
 None
 1.36A 6j20A-4ddqA:
undetectable		 6j20A-4ddqA:
21.19