SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4i1i'

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.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 12 ILE A 280
PHE A 281
GLY A 265
SER A 263
LEU A 308
 None
 1.48A 1fm6X-4i1iA:
undetectable		 1fm6X-4i1iA:
21.52
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 11 GLY A  16
GLY A  13
SER A 236
ALA A 241
ARG A 233
 None
NAD  A 400 (-3.3A)
NAD  A 400 ( 3.8A)
NAD  A 400 ( 3.7A)
None
 0.77A 1x7pA-4i1iA:
undetectable
1x7pB-4i1iA:
2.6		 1x7pA-4i1iA:
22.38
1x7pB-4i1iA:
22.38
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.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		3 / 3 ASN A 133
ASN A 186
ARG A  97
 None
 0.94A 2rlcA-4i1iA:
undetectable		 2rlcA-4i1iA:
18.85
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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		4 / 8 ARG A 223
SER A 240
VAL A 181
VAL A 222
 None
 1.31A 2y05A-4i1iA:
6.9
2y05B-4i1iA:
6.9		 2y05A-4i1iA:
20.69
2y05B-4i1iA:
20.69
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.
3ADS_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 12 GLY A  87
ALA A  76
LEU A  49
LEU A  46
ILE A  42
 NAD  A 400 (-3.2A)
None
None
EDO  A 402 (-4.2A)
NAD  A 400 (-3.8A)
 0.93A 3adsB-4i1iA:
undetectable		 3adsB-4i1iA:
20.86
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.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 12 GLY A  87
ALA A  76
LEU A  49
LEU A  46
ILE A  42
 NAD  A 400 (-3.2A)
None
None
EDO  A 402 (-4.2A)
NAD  A 400 (-3.8A)
 0.97A 3adxB-4i1iA:
undetectable		 3adxB-4i1iA:
20.86
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		3 / 3 ALA A   7
ARG A  38
LYS A  66
 None
 0.96A 3kp3B-4i1iA:
undetectable		 3kp3B-4i1iA:
18.75
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.
3N62_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		3 / 3 GLY A 304
TRP A 184
VAL A 192
 None
 0.67A 3n62B-4i1iA:
undetectable		 3n62B-4i1iA:
21.36
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.
3N65_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		3 / 3 GLY A 304
TRP A 184
VAL A 192
 None
 0.63A 3n65B-4i1iA:
undetectable		 3n65B-4i1iA:
21.36
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.
3N66_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		3 / 3 GLY A 304
TRP A 184
VAL A 192
 None
 0.63A 3n66B-4i1iA:
undetectable		 3n66B-4i1iA:
21.36
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.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 10 LEU A  37
GLY A  16
ALA A  11
ASP A  41
VAL A  67
 None
None
None
NAD  A 400 (-2.8A)
None
 1.01A 3oxwA-4i1iA:
undetectable		 3oxwA-4i1iA:
16.78
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.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 10 LEU A  37
GLY A  16
ALA A  11
ASP A  41
VAL A  67
 None
None
None
NAD  A 400 (-2.8A)
None
 1.01A 3oxwC-4i1iA:
undetectable		 3oxwC-4i1iA:
16.78
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 11 PHE A 218
TYR A 261
ASN A 180
ALA A 205
VAL A 173
 EDO  A 405 ( 4.4A)
None
None
None
None
 1.20A 3rukD-4i1iA:
undetectable		 3rukD-4i1iA:
18.97
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 9 ALA A  12
GLY A  16
LEU A  56
LEU A  39
LEU A  19
 NAD  A 400 ( 4.0A)
None
None
None
None
 1.17A 3wdmC-4i1iA:
3.8		 3wdmC-4i1iA:
22.88
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		4 / 8 ASP A 247
ASP A 251
VAL A 260
LEU A 164
 None
 1.07A 4f8hA-4i1iA:
undetectable
4f8hB-4i1iA:
undetectable		 4f8hA-4i1iA:
24.86
4f8hB-4i1iA:
24.86
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.
4F8H_B_RKEB401_1
(PROTON-GATED ION
CHANNEL)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		4 / 8 ASP A 247
ASP A 251
VAL A 260
LEU A 164
 None
 0.98A 4f8hB-4i1iA:
undetectable
4f8hC-4i1iA:
undetectable		 4f8hB-4i1iA:
24.86
4f8hC-4i1iA:
24.86
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.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		4 / 8 ASP A 247
ASP A 251
VAL A 260
LEU A 164
 None
 1.05A 4f8hC-4i1iA:
undetectable
4f8hD-4i1iA:
undetectable		 4f8hC-4i1iA:
24.86
4f8hD-4i1iA:
24.86
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.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		4 / 8 ASP A 247
ASP A 251
VAL A 260
LEU A 164
 None
 1.04A 4f8hD-4i1iA:
undetectable
4f8hE-4i1iA:
undetectable		 4f8hD-4i1iA:
24.86
4f8hE-4i1iA:
24.86
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.
4F8H_E_RKEE401_1
(PROTON-GATED ION
CHANNEL)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		4 / 8 VAL A 260
LEU A 164
ASP A 247
ASP A 251
 None
 1.01A 4f8hA-4i1iA:
undetectable
4f8hE-4i1iA:
undetectable		 4f8hA-4i1iA:
24.86
4f8hE-4i1iA:
24.86
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.
4O1Z_A_MXMA807_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		4 / 6 VAL A   6
LEU A  37
LEU A  19
PHE A 108
 None
 1.04A 4o1zA-4i1iA:
undetectable		 4o1zA-4i1iA:
19.55
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.
4XUM_B_IMNB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 11 GLY A  87
ALA A  76
LEU A  49
LEU A  46
ILE A  42
 NAD  A 400 (-3.2A)
None
None
EDO  A 402 (-4.2A)
NAD  A 400 (-3.8A)
 0.98A 4xumB-4i1iA:
undetectable		 4xumB-4i1iA:
21.14
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.
5VUO_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		3 / 3 GLY A 304
TRP A 184
VAL A 192
 None
 0.64A 5vuoB-4i1iA:
undetectable		 5vuoB-4i1iA:
21.36
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 4i1i MALATE DEHYDROGENASE
(Leishmania
major) 		5 / 12 ALA A 241
VAL A  20
VAL A 128
GLY A  10
ALA A  11
 NAD  A 400 ( 3.7A)
None
NAD  A 400 (-4.0A)
NAD  A 400 (-3.4A)
None
 0.95A 5xxiA-4i1iA:
undetectable		 5xxiA-4i1iA:
20.29