SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wec'

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.
1D0V_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 THR A 239
GLY A 171
GLY A 135
GLY A 178
 None
 0.74A 1d0vA-4wecA:
3.7		 1d0vA-4wecA:
23.20
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.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 THR A 239
GLY A 171
GLY A 135
GLY A 178
 None
 0.72A 1jhaA-4wecA:
4.1		 1jhaA-4wecA:
23.20
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A  16
ILE A  41
ASP A  42
ASP A  61
ILE A 113
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.8A)
None
NAD  A 301 (-3.9A)
NAD  A 301 ( 4.6A)
 0.57A 1qaoA-4wecA:
5.3		 1qaoA-4wecA:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 GLY A  16
ALA A  18
ASP A  40
ASP A  61
VAL A  62
ALA A  89
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.4A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 4.0A)
 0.44A 1uayA-4wecA:
29.1		 1uayA-4wecA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 GLY A  16
ALA A  18
SER A  19
ASP A  40
VAL A  62
ALA A  89
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.4A)
NAD  A 301 (-2.9A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 4.0A)
 0.57A 1uayA-4wecA:
29.1		 1uayA-4wecA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 10 GLY A  16
ALA A  18
ASP A  40
ASP A  61
VAL A  62
ALA A  89
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.4A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 4.0A)
 0.41A 1uayB-4wecA:
29.4		 1uayB-4wecA:
34.78
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLY A  39
PHE A  72
VAL A  58
THR A  15
VAL A  37
 None
 1.23A 1v3qE-4wecA:
3.0		 1v3qE-4wecA:
23.64
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A  16
ASP A  40
ASP A  61
ASN A  88
ALA A  89
 NAD  A 301 (-3.1A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.3A)
NAD  A 301 ( 4.0A)
 0.99A 2bm9E-4wecA:
5.7		 2bm9E-4wecA:
23.31
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.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A  18
GLY A  17
ILE A  41
ASP A  61
VAL A  62
 NAD  A 301 (-3.4A)
NAD  A 301 ( 4.8A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
 1.07A 2qe6B-4wecA:
5.8		 2qe6B-4wecA:
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ASP A  40
ILE A  41
ALA A  18
ASP A  61
VAL A  60
 NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.9A)
NAD  A 301 (-4.7A)
 1.38A 3ay0A-4wecA:
6.3		 3ay0A-4wecA:
20.11
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ASP A  40
ILE A  41
ALA A  18
ASP A  61
VAL A  62
 NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
 1.04A 3ay0A-4wecA:
6.3		 3ay0A-4wecA:
20.11
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLY A  17
ASP A  40
ILE A  41
ASP A  61
VAL A  62
 NAD  A 301 ( 4.8A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.9A)
NAD  A 301 (-3.5A)
 1.02A 3ay0B-4wecA:
6.1		 3ay0B-4wecA:
20.11
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.
3BGD_B_PM6B301_1
(THIOPURINE
S-METHYLTRANSFERASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 PHE A  86
GLY A  17
VAL A  38
LEU A  53
 None
NAD  A 301 ( 4.8A)
None
None
 0.99A 3bgdB-4wecA:
6.2		 3bgdB-4wecA:
22.68
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.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 HIS A 128
ASP A  73
VAL A  58
VAL A  37
 None
 0.78A 3fi0B-4wecA:
undetectable		 3fi0B-4wecA:
23.96
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 GLY A  16
ILE A  41
ASP A  42
ASP A  61
ILE A 113
 NAD  A 301 (-3.1A)
NAD  A 301 (-3.8A)
None
NAD  A 301 (-3.9A)
NAD  A 301 ( 4.6A)
 0.61A 3grvA-4wecA:
6.1		 3grvA-4wecA:
26.23
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 GLY A  17
ILE A  41
ASP A  42
ASP A  61
ASN A  88
ILE A 113
 NAD  A 301 ( 4.8A)
NAD  A 301 (-3.8A)
None
NAD  A 301 (-3.9A)
NAD  A 301 (-3.3A)
NAD  A 301 ( 4.6A)
 1.31A 3grvA-4wecA:
6.1		 3grvA-4wecA:
26.23
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.
3NU9_A_478A401_2
(PROTEASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLY A  90
GLY A  17
ILE A  14
VAL A  68
VAL A  62
 NAD  A 301 (-3.5A)
NAD  A 301 ( 4.8A)
None
None
NAD  A 301 (-3.5A)
 1.02A 3nu9B-4wecA:
undetectable		 3nu9B-4wecA:
19.11
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.
3UBO_B_ADNB353_2
(ADENOSINE KINASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 SER A 142
ILE A  21
TYR A 156
GLY A 187
 NAD  A 301 (-3.6A)
NAD  A 301 (-3.9A)
NAD  A 301 (-4.3A)
None
 1.00A 3uboB-4wecA:
6.4		 3uboB-4wecA:
22.04
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.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ALA A  89
GLY A  20
GLY A  17
ILE A  14
 NAD  A 301 ( 4.0A)
NAD  A 301 (-3.1A)
NAD  A 301 ( 4.8A)
None
 0.64A 4eatA-4wecA:
4.2		 4eatA-4wecA:
20.87
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.
4FE1_A_PQNA846_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ARG A  28
ALA A 228
LEU A  29
GLY A  26
ALA A 132
 None
 1.04A 4fe1A-4wecA:
undetectable
4fe1J-4wecA:
undetectable		 4fe1A-4wecA:
16.96
4fe1J-4wecA:
10.07
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.
4JLT_A_8PRA505_1
(CYTOCHROME P450 2B4)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 ALA A 225
GLU A 221
VAL A 245
VAL A 189
 None
None
None
NAD  A 301 (-4.1A)
 0.83A 4jltA-4wecA:
undetectable		 4jltA-4wecA:
20.51
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.
4L6V_1_PQN12001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 ARG A  28
ALA A 228
LEU A  29
GLY A  26
ALA A 132
 None
 0.92A 4l6v1-4wecA:
undetectable
4l6v6-4wecA:
undetectable		 4l6v1-4wecA:
16.91
4l6v6-4wecA:
20.79
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.
4N09_A_ADNA401_2
(ADENOSINE KINASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 LEU A 184
SER A 142
LEU A 244
LEU A 223
 None
NAD  A 301 (-3.6A)
EDO  A 305 (-4.5A)
None
 0.90A 4n09A-4wecA:
7.3		 4n09A-4wecA:
22.89
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.
4PGH_A_SAMA401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 GLY A  16
GLY A  17
THR A  25
ASP A  40
ASP A  61
 NAD  A 301 (-3.1A)
NAD  A 301 ( 4.8A)
None
NAD  A 301 (-1.6A)
NAD  A 301 (-3.9A)
 0.97A 4pghA-4wecA:
6.3		 4pghA-4wecA:
22.75
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.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ALA A 158
TYR A 156
GLY A 148
SER A 142
GLY A 161
 None
NAD  A 301 (-4.3A)
None
NAD  A 301 (-3.6A)
None
 1.18A 5i6xA-4wecA:
undetectable		 5i6xA-4wecA:
18.46
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.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ASN A  70
ALA A  67
ASP A  61
ILE A  41
GLY A  39
 None
None
NAD  A 301 (-3.9A)
NAD  A 301 (-3.8A)
None
 1.20A 5kr2A-4wecA:
undetectable		 5kr2A-4wecA:
18.70
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.
5L6E_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A  21
LEU A 184
SER A 121
GLY A  16
GLY A  22
 NAD  A 301 (-3.9A)
None
None
NAD  A 301 (-3.1A)
None
 1.16A 5l6eA-4wecA:
1.9		 5l6eA-4wecA:
23.44
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 ASN A  87
SER A 136
ALA A  85
VAL A  13
 None
 1.22A 5nm5A-4wecA:
5.6		 5nm5A-4wecA:
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A  16
ASP A  40
ILE A  41
ASP A  42
ASP A  61
 NAD  A 301 (-3.1A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
None
NAD  A 301 (-3.9A)
 0.66A 6bq4A-4wecA:
6.9		 6bq4A-4wecA:
16.12
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A  16
ASP A  40
ILE A  41
ASP A  42
ASP A  61
 NAD  A 301 (-3.1A)
NAD  A 301 (-1.6A)
NAD  A 301 (-3.8A)
None
NAD  A 301 (-3.9A)
 0.63A 6bq4B-4wecA:
6.8		 6bq4B-4wecA:
16.12
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.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 4wec SHORT CHAIN
DEHYDROGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 223
VAL A 189
PRO A 186
SER A 167
GLY A 162
 None
NAD  A 301 (-4.1A)
NAD  A 301 (-3.9A)
None
None
 1.25A 6mn8A-4wecA:
2.8		 6mn8A-4wecA:
20.54