SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '10A'


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.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis)
5 / 8 THR A 168
GLY A 137
GLY A 143
PHE A 139
GLY A 203
None
CO3  A1902 (-3.1A)
None
None
10A  A1901 (-3.7A)
1.38A 1jhvA-1kphA:
undetectable
1jhvA-1kphA:
21.41
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.
2F10_A_BCZA382_0
(SIALIDASE 2)
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 12 ILE A 184
GLU A 148
TYR A 280
LEU A 281
TYR A 247
CO3  A 902 ( 4.5A)
CO3  A 902 ( 3.4A)
None
None
10A  A 901 ( 4.3A)
1.12A 2f10A-1kpiA:
undetectable
2f10A-1kpiA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis)
11 / 12 THR A  32
TYR A  33
GLY A  72
GLY A  74
LEU A  95
GLY A 122
TRP A 123
GLU A 124
ILE A 136
ALA A 138
HIS A 141
SAH  A1900 (-4.1A)
10A  A1901 ( 3.5A)
SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
SAH  A1900 (-4.4A)
SAH  A1900 (-3.2A)
SAH  A1900 (-4.3A)
SAH  A1900 (-2.9A)
SAH  A1900 (-4.2A)
SAH  A1900 (-3.2A)
SAH  A1900 (-4.4A)
0.43A 2fk8A-1kphA:
40.6
2fk8A-1kphA:
54.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FK8_A_SAMA302_0
(METHOXY MYCOLIC ACID
SYNTHASE 4)
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis)
11 / 12 THR A  40
TYR A  41
ILE A  79
GLY A  80
GLY A  82
LEU A 103
GLY A 130
TRP A 131
GLU A 132
ALA A 146
HIS A 149
SAH  A 900 (-4.4A)
10A  A 901 ( 3.7A)
None
SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
SAH  A 900 (-4.4A)
SAH  A 900 (-3.3A)
SAH  A 900 (-4.5A)
SAH  A 900 (-3.1A)
SAH  A 900 (-3.1A)
SAH  A 900 (-4.3A)
0.55A 2fk8A-1kpiA:
36.9
2fk8A-1kpiA:
47.19
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_DXCA1001_0
(ALDEHYDE
DEHYDROGENASE A)
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis)
4 / 7 LEU A 205
PHE A 191
ILE A 169
PHE A 273
10A  A1901 (-3.9A)
None
10A  A1901 ( 4.7A)
None
0.90A 2opxA-1kphA:
4.4
2opxA-1kphA:
18.09
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_C_SALC1302_1
(LYSR-TYPE REGULATORY
PROTEIN)
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis)
5 / 12 ILE A 243
GLY A 244
TYR A 247
PHE A 288
HIS A 182
None
None
10A  A 901 ( 4.3A)
10A  A 901 ( 4.9A)
CO3  A 902 (-3.8A)
1.22A 2y7kC-1kpiA:
undetectable
2y7kC-1kpiA:
23.27
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis)
5 / 12 TYR A  33
HIS A  15
LEU A 243
LEU A 266
ALA A 250
10A  A1901 ( 3.5A)
None
None
None
None
1.06A 3vw7A-1kphA:
undetectable
3vw7A-1kphA:
19.87
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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis)
4 / 6 ILE A 184
ILE A 210
PHE A 288
LEU A 251
CO3  A 902 ( 4.5A)
None
10A  A 901 ( 4.9A)
None
0.99A 4m51A-1kpiA:
0.1
4m51A-1kpiA:
22.32
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.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis)
4 / 6 GLY A 276
ILE A 208
ILE A 177
LEU A 192
None
None
None
10A  A1901 (-3.7A)
0.74A 4o8fB-1kphA:
undetectable
4o8fB-1kphA:
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.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis)
5 / 7 LEU A 266
ILE A 278
GLY A 171
LEU A 205
ILE A 199
None
10A  A1901 ( 4.4A)
None
10A  A1901 (-3.9A)
None
1.31A 5vkqA-1kphA:
2.4
5vkqB-1kphA:
2.4
5vkqA-1kphA:
10.16
5vkqB-1kphA:
10.16