SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'IN5'


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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 7 HIS A  47
GLY A  46
ALA A  44
TYR A  45
 None
None
None
IN5  A1394 ( 4.4A)
 0.88A 1dmaA-2vd9A:
undetectable		 1dmaA-2vd9A:
20.05
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.
1EPB_A_9CRA165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 7 LEU A  85
ALA A  65
PHE A  37
VAL A  39
 None
None
None
IN5  A1394 (-4.6A)
 0.85A 1epbA-2vd9A:
undetectable		 1epbA-2vd9A:
20.40
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.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 8 PHE A  68
GLY A  88
ARG A 138
VAL A  39
 None
None
IN5  A1394 (-3.1A)
IN5  A1394 (-4.6A)
 1.24A 1gsfA-2vd9A:
undetectable		 1gsfA-2vd9A:
18.39
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.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 8 PHE A  68
GLY A  88
ARG A 138
VAL A  39
 None
None
IN5  A1394 (-3.1A)
IN5  A1394 (-4.6A)
 1.24A 1gsfB-2vd9A:
undetectable		 1gsfB-2vd9A:
18.39
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.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 8 PHE A  68
GLY A  88
ARG A 138
VAL A  39
 None
None
IN5  A1394 (-3.1A)
IN5  A1394 (-4.6A)
 1.24A 1gsfD-2vd9A:
undetectable		 1gsfD-2vd9A:
18.39
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.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 8 SER A 235
ALA A 210
ILE A 238
ASN A 208
 None
None
None
IN5  A1394 ( 4.5A)
 1.20A 1pnlA-2vd9A:
undetectable
1pnlB-2vd9A:
undetectable		 1pnlA-2vd9A:
21.21
1pnlB-2vd9A:
23.15
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.
1VPT_A_SAMA400_0
(VP39)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		5 / 12 GLY A 226
GLY A 231
VAL A  39
ALA A  38
LEU A  87
 IN5  A1394 ( 3.2A)
None
IN5  A1394 (-4.6A)
None
EPC  A1395 ( 3.8A)
 0.86A 1vptA-2vd9A:
undetectable		 1vptA-2vd9A:
21.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 8 LYS A  41
TYR A  45
ARG A 138
TYR A 359
 IN5  A1394 ( 2.4A)
IN5  A1394 ( 4.4A)
IN5  A1394 (-3.1A)
EPC  A1395 ( 4.2A)
 0.24A 1xqlA-2vd9A:
53.9
1xqlB-2vd9A:
53.6		 1xqlA-2vd9A:
56.30
1xqlB-2vd9A:
56.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 8 LYS A  41
TYR A  45
ARG A 138
TYR A 359
 IN5  A1394 ( 2.4A)
IN5  A1394 ( 4.4A)
IN5  A1394 (-3.1A)
EPC  A1395 ( 4.2A)
 0.37A 1xqlA-2vd9A:
53.9
1xqlB-2vd9A:
53.6		 1xqlA-2vd9A:
56.30
1xqlB-2vd9A:
56.30
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.
3B9M_A_SALA1200_1
(SERUM ALBUMIN)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 5 ILE A 362
HIS A  47
TYR A 359
GLY A 226
 None
None
EPC  A1395 ( 4.2A)
IN5  A1394 ( 3.2A)
 1.29A 3b9mA-2vd9A:
undetectable		 3b9mA-2vd9A:
20.16
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.
3LN1_D_CELD682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2vd9 ALANINE RACEMASE
(Bacillus
anthracis) 		4 / 5 ARG A 224
LEU A 191
ILE A 141
PHE A 132
 IN5  A1394 ( 3.8A)
None
None
None
 1.11A 3ln1D-2vd9A:
undetectable		 3ln1D-2vd9A:
21.11
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4itx CYSTATHIONINE
BETA-LYASE METC
(Escherichia
coli) 		5 / 12 ILE A 159
SER A 158
GLY A 157
THR A 109
GLU A 154
 None
IN5  A 401 ( 4.0A)
None
None
IN5  A 401 (-3.7A)
 1.49A 3r75A-4itxA:
undetectable		 3r75A-4itxA:
21.21
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.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4itx CYSTATHIONINE
BETA-LYASE METC
(Escherichia
coli) 		5 / 12 ILE A 159
SER A 158
GLY A 157
THR A 109
GLU A 154
 None
IN5  A 401 ( 4.0A)
None
None
IN5  A 401 (-3.7A)
 1.49A 3r75B-4itxA:
undetectable		 3r75B-4itxA:
21.21
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.
3R76_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4itx CYSTATHIONINE
BETA-LYASE METC
(Escherichia
coli) 		5 / 11 ILE A 159
SER A 158
GLY A 157
THR A 109
GLU A 154
 None
IN5  A 401 ( 4.0A)
None
None
IN5  A 401 (-3.7A)
 1.48A 3r76A-4itxA:
undetectable		 3r76A-4itxA:
21.21
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.
3R76_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4itx CYSTATHIONINE
BETA-LYASE METC
(Escherichia
coli) 		5 / 11 ILE A 159
SER A 158
GLY A 157
THR A 109
GLU A 154
 None
IN5  A 401 ( 4.0A)
None
None
IN5  A 401 (-3.7A)
 1.48A 3r76B-4itxA:
undetectable		 3r76B-4itxA:
21.21
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.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 4itx CYSTATHIONINE
BETA-LYASE METC
(Escherichia
coli) 		4 / 7 TYR A 111
ARG A 372
SER A 158
GLU A 154
 IN5  A 401 (-3.6A)
IN5  A 401 (-2.9A)
IN5  A 401 ( 4.0A)
IN5  A 401 (-3.7A)
 1.28A 4xzkA-4itxA:
undetectable		 4xzkA-4itxA:
20.45
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 4itx CYSTATHIONINE
BETA-LYASE METC
(Escherichia
coli) 		4 / 6 ALA A 208
THR A 209
VAL A 213
VAL A 244
 None
IN5  A 401 (-3.0A)
None
None
 0.87A 5eclD-4itxA:
undetectable		 5eclD-4itxA:
22.28