SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jyj'

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.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 10 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.88A 1d4yA-4jyjA:
undetectable		 1d4yA-4jyjA:
18.62
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.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 6 ASP A 233
LEU A 236
ILE A 138
GLU A 133
 None
None
None
UNL  A 301 ( 2.7A)
 1.03A 1mt1A-4jyjA:
undetectable
1mt1F-4jyjA:
undetectable		 1mt1A-4jyjA:
9.27
1mt1F-4jyjA:
17.75
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.
1MUI_B_AB1B100_2
(PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 ALA A 120
ASP A 121
ILE A 102
GLY A  54
ILE A  19
 None
 0.89A 1muiB-4jyjA:
undetectable		 1muiB-4jyjA:
17.81
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 7 ASP A 233
LEU A 236
ILE A 138
GLU A 133
 None
None
None
UNL  A 301 ( 2.7A)
 1.05A 1n13I-4jyjA:
undetectable
1n13L-4jyjA:
undetectable		 1n13I-4jyjA:
9.27
1n13L-4jyjA:
17.75
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.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 GLY A 107
ALA A 129
ILE A 167
ILE A 110
ALA A 117
 None
 0.86A 1sguB-4jyjA:
undetectable		 1sguB-4jyjA:
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 10 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.81A 2aquA-4jyjA:
undetectable		 2aquA-4jyjA:
17.81
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.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 GLY A 107
ALA A 129
ASP A 168
ILE A 167
VAL A 125
 None
 1.05A 2b7zA-4jyjA:
undetectable		 2b7zA-4jyjA:
18.62
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.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 GLY A 107
ALA A 129
ILE A 167
ILE A 110
ALA A 117
 None
 0.91A 2b7zA-4jyjA:
undetectable		 2b7zA-4jyjA:
18.62
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 GLY A 107
ALA A 129
ASP A 168
ILE A 167
VAL A 125
 None
 0.99A 2b7zB-4jyjA:
undetectable		 2b7zB-4jyjA:
18.62
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 GLY A 107
ALA A 129
ILE A 167
ILE A 110
ALA A 117
 None
 0.87A 2b7zB-4jyjA:
undetectable		 2b7zB-4jyjA:
18.62
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.
2FXD_A_DR7A102_2
(POL PROTEIN)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 7 ALA A 120
ASP A 121
GLY A  54
ILE A  19
 None
 0.77A 2fxdB-4jyjA:
undetectable		 2fxdB-4jyjA:
17.81
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.
2IEO_A_017A402_1
(PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.94A 2ieoA-4jyjA:
undetectable		 2ieoA-4jyjA:
18.62
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.
2Q5K_A_AB1A201_2
(PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.90A 2q5kB-4jyjA:
undetectable		 2q5kB-4jyjA:
18.95
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.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 11 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.92A 2qhcA-4jyjA:
undetectable		 2qhcA-4jyjA:
17.81
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 7 ASP A 233
LEU A 236
ILE A 138
GLU A 133
 None
None
None
UNL  A 301 ( 2.7A)
 0.91A 2qqdA-4jyjA:
undetectable
2qqdE-4jyjA:
undetectable		 2qqdA-4jyjA:
10.30
2qqdE-4jyjA:
17.75
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.
2R5Q_B_1UNB900_2
(PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 11 ALA A 120
ASP A 121
ILE A 102
GLY A  54
ILE A  19
 None
 0.78A 2r5qB-4jyjA:
undetectable		 2r5qB-4jyjA:
16.84
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.
2R5Q_D_1UND900_2
(PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 10 ALA A 120
ASP A 121
ILE A 102
GLY A  54
ILE A  19
 None
 0.78A 2r5qD-4jyjA:
undetectable		 2r5qD-4jyjA:
16.84
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)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 5 ILE A 136
PRO A 163
VAL A 103
PHE A 159
 None
 1.00A 2ygnA-4jyjA:
undetectable		 2ygnA-4jyjA:
18.54
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.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 12 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.85A 2z54B-4jyjA:
undetectable		 2z54B-4jyjA:
17.81
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.
3EL9_A_DR7A100_1
(PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 8 ALA A 120
ASP A 121
GLY A  54
ILE A  19
 None
 0.60A 3el9A-4jyjA:
undetectable		 3el9A-4jyjA:
18.62
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 10 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.93A 3lzvA-4jyjA:
undetectable		 3lzvA-4jyjA:
19.03
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 10 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.93A 3oy4B-4jyjA:
undetectable		 3oy4B-4jyjA:
19.43
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 11 ALA A 120
ASP A 121
ILE A 102
GLY A  54
ILE A  19
 None
 0.95A 3spkA-4jyjA:
undetectable		 3spkA-4jyjA:
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 10 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.95A 4dqbB-4jyjA:
undetectable		 4dqbB-4jyjA:
18.62
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 10 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.98A 4dqhB-4jyjA:
undetectable		 4dqhB-4jyjA:
18.22
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.
4O8F_A_BRLA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 5 GLY A  57
LEU A  34
ILE A  19
LEU A 116
 None
 0.87A 4o8fA-4jyjA:
undetectable		 4o8fA-4jyjA:
22.59
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.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 9 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.97A 4q1wA-4jyjA:
undetectable		 4q1wA-4jyjA:
18.95
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.
4ZME_A_ADNA1002_1
(MYOSIN HEAVY CHAIN
KINASE A)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 11 PHE A  62
ALA A 113
VAL A 103
LEU A  53
PHE A  38
 None
 1.11A 4zmeA-4jyjA:
undetectable		 4zmeA-4jyjA:
23.12
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.
4ZME_B_ADNB902_1
(MYOSIN HEAVY CHAIN
KINASE A)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 10 PHE A  62
ALA A 113
VAL A 103
LEU A  53
PHE A  38
 None
 1.12A 4zmeB-4jyjA:
undetectable		 4zmeB-4jyjA:
23.12
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.
5CDQ_E_MFXE2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 5 SER A 265
ARG A 170
GLY A 169
GLU A 127
 None
 1.16A 5cdqA-4jyjA:
undetectable
5cdqB-4jyjA:
undetectable
5cdqC-4jyjA:
undetectable		 5cdqA-4jyjA:
21.81
5cdqB-4jyjA:
23.29
5cdqC-4jyjA:
21.81
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.
5CDQ_V_MFXV2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 5 SER A 265
ARG A 170
GLY A 169
GLU A 127
 None
 1.16A 5cdqR-4jyjA:
undetectable
5cdqS-4jyjA:
undetectable
5cdqT-4jyjA:
undetectable		 5cdqR-4jyjA:
21.81
5cdqS-4jyjA:
23.29
5cdqT-4jyjA:
21.81
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.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 7 ALA A 120
ASP A 121
GLY A  54
ILE A  19
 None
 0.69A 5kqyB-4jyjA:
undetectable		 5kqyB-4jyjA:
18.62
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.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 8 ALA A 120
ASP A 121
GLY A  54
ILE A  19
 None
 0.63A 5kr1B-4jyjA:
undetectable		 5kr1B-4jyjA:
17.81
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.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		4 / 6 LEU A  35
SER A  31
PHE A  30
ASP A  67
 None
 0.94A 5om3A-4jyjA:
undetectable
5om3B-4jyjA:
undetectable		 5om3A-4jyjA:
13.29
5om3B-4jyjA:
8.28
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.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 4jyj ENOYL-COA
HYDRATASE/ISOMERASE
(Novosphingobium
aromaticivorans) 		5 / 11 ILE A  19
LEU A  35
PHE A  38
LEU A  94
ILE A  55
 None
 0.88A 5z6mA-4jyjA:
undetectable		 5z6mA-4jyjA:
22.82