SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3igs'

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.
1IG3_A_VIBA502_1
(THIAMIN
PYROPHOSPHOKINASE)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		4 / 8 SER A 155
SER A 135
ASP A 132
THR A 107
 SO4  A 231 ( 3.8A)
SO4  A 232 (-2.7A)
None
None
 0.99A 1ig3A-3igsA:
undetectable
1ig3B-3igsA:
undetectable		 1ig3A-3igsA:
20.35
1ig3B-3igsA:
20.35
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.
1KF6_B_ACTB704_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		3 / 3 ARG A  51
GLY A 151
ASP A 132
 CL  A 238 (-4.3A)
None
None
 0.38A 1kf6A-3igsA:
undetectable
1kf6B-3igsA:
undetectable		 1kf6A-3igsA:
16.97
1kf6B-3igsA:
21.67
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.
1P7L_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		4 / 8 PRO A 169
ASP A 167
SER A 134
THR A 159
 None
None
SO4  A 231 ( 4.6A)
SO4  A 231 (-4.1A)
 1.13A 1p7lC-3igsA:
undetectable		 1p7lC-3igsA:
20.21
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.
1RG9_C_SAMC585_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		4 / 8 PRO A 169
ASP A 167
SER A 134
THR A 159
 None
None
SO4  A 231 ( 4.6A)
SO4  A 231 (-4.1A)
 1.13A 1rg9C-3igsA:
undetectable		 1rg9C-3igsA:
20.21
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)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		5 / 12 GLY A 146
ALA A 147
ASP A 148
VAL A 104
ILE A 122
 None
 0.86A 2q5kB-3igsA:
undetectable		 2q5kB-3igsA:
15.04
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		5 / 12 GLY A 106
ALA A 131
THR A 129
ILE A 101
ILE A  69
 None
 1.32A 3ld6A-3igsA:
undetectable		 3ld6A-3igsA:
22.17
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.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		3 / 3 GLY A 207
SER A 208
TRP A 219
 SO4  A 234 (-3.5A)
16G  A 230 ( 2.3A)
None
 0.96A 4e7cD-3igsA:
undetectable		 4e7cD-3igsA:
23.68
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.
4L9Q_A_9TPA601_1
(SERUM ALBUMIN)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		5 / 12 LEU A 170
PRO A 166
ALA A 193
ILE A 150
GLY A 106
 None
 1.30A 4l9qA-3igsA:
undetectable		 4l9qA-3igsA:
17.44
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.
4ODR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		5 / 12 LEU A 118
ILE A 122
LEU A 119
ILE A  70
ILE A 101
 None
 0.99A 4odrA-3igsA:
undetectable
4odrB-3igsA:
undetectable		 4odrA-3igsA:
19.56
4odrB-3igsA:
19.56
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.
4X1I_D_LOCD502_1
(TUBULIN BETA CHAIN)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		5 / 12 LEU A   3
ASN A  10
ALA A  49
ALA A 100
ILE A  18
 None
 1.12A 4x1iD-3igsA:
undetectable		 4x1iD-3igsA:
19.46
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		4 / 6 ARG A  51
GLY A 207
THR A 153
GLU A 184
 CL  A 238 (-4.3A)
SO4  A 234 (-3.5A)
None
None
 1.03A 5btaA-3igsA:
undetectable
5btaB-3igsA:
undetectable
5btaC-3igsA:
undetectable		 5btaA-3igsA:
20.12
5btaB-3igsA:
24.54
5btaC-3igsA:
20.12
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		4 / 6 ARG A  51
GLY A 207
THR A 153
GLU A 184
 CL  A 238 (-4.3A)
SO4  A 234 (-3.5A)
None
None
 1.08A 5btcA-3igsA:
undetectable
5btcC-3igsA:
undetectable
5btcD-3igsA:
undetectable		 5btcA-3igsA:
20.12
5btcC-3igsA:
20.12
5btcD-3igsA:
24.54
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		4 / 6 ARG A  51
GLY A 207
THR A 153
GLU A 184
 CL  A 238 (-4.3A)
SO4  A 234 (-3.5A)
None
None
 1.05A 5btcA-3igsA:
undetectable
5btcB-3igsA:
undetectable
5btcC-3igsA:
undetectable		 5btcA-3igsA:
20.12
5btcB-3igsA:
24.54
5btcC-3igsA:
20.12
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.
5WWS_A_SAMA501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		5 / 12 ALA A 103
ASP A 138
GLY A 139
LEU A 170
LEU A 174
 None
SO4  A 232 ( 4.9A)
None
None
None
 1.11A 5wwsA-3igsA:
undetectable		 5wwsA-3igsA:
19.66
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		6 / 12 LEU A   3
ASN A  10
ALA A  49
ILE A 101
ALA A 100
ILE A  18
 None
 1.15A 5xiwB-3igsA:
undetectable		 5xiwB-3igsA:
15.35
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.
6DJ1_B_AB1B201_1
(HIV-1 PROTEASE)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		5 / 12 GLY A 146
ALA A 147
ASP A 148
VAL A 104
ILE A 122
 None
 0.85A 6dj1B-3igsA:
undetectable		 6dj1B-3igsA:
16.40
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.
6DJ2_B_AB1B201_1
(HIV-1 PROTEASE)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		5 / 12 GLY A 146
ALA A 147
ASP A 148
VAL A 104
ILE A 122
 None
 0.85A 6dj2B-3igsA:
undetectable		 6dj2B-3igsA:
16.40
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 3igs N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE 2
(Salmonella
enterica) 		4 / 4 LEU A  77
ASP A  90
PRO A  86
ARG A  75
 None
None
None
SO4  A 236 ( 3.0A)
 1.32A 6fgdA-3igsA:
undetectable		 6fgdA-3igsA:
19.95