SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1a4i'

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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 12 ILE A 238
GLY A 274
VAL A 271
ASP A 235
SER A  13
 NDP  A 302 (-4.4A)
None
None
None
None
 1.04A 1nbhC-1a4iA:
4.4		 1nbhC-1a4iA:
23.12
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.
1NBI_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 12 ILE A 238
GLY A 274
VAL A 271
ASP A 235
SER A  13
 NDP  A 302 (-4.4A)
None
None
None
None
 1.12A 1nbiA-1a4iA:
4.5		 1nbiA-1a4iA:
23.12
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.
1NBI_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 12 ILE A 238
GLY A 274
VAL A 271
ASP A 235
SER A  13
 NDP  A 302 (-4.4A)
None
None
None
None
 1.10A 1nbiB-1a4iA:
4.4		 1nbiB-1a4iA:
23.12
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.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 12 ILE A  70
LEU A  88
ASN A  89
VAL A  81
ILE A 118
 None
 1.18A 2vn0A-1a4iA:
undetectable		 2vn0A-1a4iA:
19.29
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.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		4 / 6 THR A 111
GLU A 112
MET A  82
ILE A 118
 None
 1.20A 2w98B-1a4iA:
7.7		 2w98B-1a4iA:
21.24
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		3 / 3 PRO A 146
LEU A 135
ARG A 137
 None
 0.93A 3aqiA-1a4iA:
3.1		 3aqiA-1a4iA:
23.97
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.
3BJW_A_SVRA508_2
(PHOSPHOLIPASE A2)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 9 VAL A 271
GLY A 273
PRO A 277
THR A 279
GLY A 151
 None
None
None
NDP  A 302 ( 3.7A)
None
 1.08A 3bjwG-1a4iA:
0.0		 3bjwG-1a4iA:
15.10
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 12 GLY A 274
VAL A 222
GLY A 237
ALA A 257
ASP A 259
 None
None
NDP  A 302 (-3.5A)
None
None
 1.01A 3keeC-1a4iA:
undetectable		 3keeC-1a4iA:
21.61
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		4 / 8 GLN A 100
SER A  49
ARG A  46
ASN A 239
 None
None
None
NDP  A 302 ( 4.2A)
 1.03A 3kp2A-1a4iA:
0.0
3kp2B-1a4iA:
0.0		 3kp2A-1a4iA:
17.82
3kp2B-1a4iA:
17.82
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.
3LSF_E_PZIE800_0
(GLUTAMATE RECEPTOR 2)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 10 PRO A 180
SER A 174
GLY A 178
PRO A 149
ASP A 235
 None
NDP  A 302 (-2.6A)
None
None
None
 1.23A 3lsfB-1a4iA:
0.0
3lsfE-1a4iA:
0.0		 3lsfB-1a4iA:
22.19
3lsfE-1a4iA:
22.19
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 11 ALA A 179
ARG A 137
ASP A 183
GLY A 133
ALA A 132
 None
 1.20A 3rukD-1a4iA:
undetectable		 3rukD-1a4iA:
21.82
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		4 / 6 CYH A 147
THR A 148
GLY A 126
ASP A 125
 None
NDP  A 302 (-3.6A)
None
None
 1.19A 3w9tE-1a4iA:
0.0		 3w9tE-1a4iA:
21.51
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.
4ACA_C_DXCC1480_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		4 / 4 LYS A  10
GLU A 158
ILE A  12
SER A  13
 None
 1.47A 4acaC-1a4iA:
2.0		 4acaC-1a4iA:
21.63
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		4 / 5 SER A 174
GLY A 172
THR A 148
VAL A 213
 NDP  A 302 (-2.6A)
NDP  A 302 (-3.5A)
NDP  A 302 (-3.6A)
None
 0.92A 4eohA-1a4iA:
4.1		 4eohA-1a4iA:
22.73
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.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		3 / 3 LEU A 155
ILE A 234
TYR A 258
 None
 0.68A 5uunB-1a4iA:
0.0		 5uunB-1a4iA:
22.19
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.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		10 / 12 LEU A  98
GLN A 100
LEU A 101
PRO A 102
ASP A 125
THR A 148
SER A 174
ILE A 176
VAL A 177
THR A 279
 None
None
None
None
None
NDP  A 302 (-3.6A)
NDP  A 302 (-2.6A)
NDP  A 302 ( 4.9A)
NDP  A 302 (-4.3A)
NDP  A 302 ( 3.7A)
 0.67A 6debB-1a4iA:
41.5		 6debB-1a4iA:
12.54
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.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		6 / 12 LEU A  98
GLN A 100
LEU A 101
PRO A 102
ASP A 125
THR A 279
 None
None
None
None
None
NDP  A 302 ( 3.7A)
 1.03A 6debB-1a4iA:
41.5		 6debB-1a4iA:
12.54
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.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		 1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens) 		5 / 5 TYR A  52
LYS A  56
GLN A 100
GLY A 217
ILE A 238
 None
None
None
NDP  A 302 (-3.3A)
NDP  A 302 (-4.4A)
 0.52A 6debB-1a4iA:
41.5		 6debB-1a4iA:
12.54