SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'KPI'


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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
4 / 8 LYS A  35
THR A  36
GLY A  68
LEU A  84
None
None
KPI  A 184 ( 3.5A)
None
0.74A 1aegA-4hnnA:
undetectable
1aegA-4hnnA:
22.76
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.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
0.90A 1qzfA-5ktlA:
undetectable
1qzfA-5ktlA:
20.73
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.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
0.90A 1qzfB-5ktlA:
undetectable
1qzfB-5ktlA:
20.73
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.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
0.90A 1qzfC-5ktlA:
undetectable
1qzfC-5ktlA:
20.73
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.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
0.90A 1qzfD-5ktlA:
undetectable
1qzfD-5ktlA:
20.73
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.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
0.90A 1qzfE-5ktlA:
undetectable
1qzfE-5ktlA:
20.73
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.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))
3a5f DIHYDRODIPICOLINATE
SYNTHASE

(Clostridium
botulinum)
5 / 12 ILE A  29
ILE A 132
ILE A  75
VAL A  68
ILE A   3
None
KPI  A 162 ( 4.8A)
None
None
None
1.01A 1r5lA-3a5fA:
1.5
1r5lA-3a5fA:
23.40
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.
1SH9_B_RITB301_2
(POL POLYPROTEIN)
3fkr L-2-KETO-3-DEOXYARAB
ONATE DEHYDRATASE

(Azospirillum
brasilense)
5 / 10 GLY A 222
ASP A 208
ILE A 183
GLY A 205
ALA A 165
None
None
KPI  A 182 ( 3.8A)
None
None
0.95A 1sh9B-3fkrA:
undetectable
1sh9B-3fkrA:
14.90
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)
3hij DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
anthracis)
5 / 12 ALA A  10
GLY A  45
GLY A  44
ILE A   7
GLY A   5
KPI  A 163 ( 3.2A)
KPI  A 163 ( 3.4A)
None
None
None
0.97A 1sqfA-3hijA:
undetectable
1sqfA-3hijA:
21.18
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.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)
3a5f DIHYDRODIPICOLINATE
SYNTHASE

(Clostridium
botulinum)
5 / 12 ILE A  61
GLY A  47
ALA A  10
ILE A  41
GLU A  54
None
None
KPI  A 162 ( 3.4A)
None
None
1.47A 1vq1A-3a5fA:
undetectable
1vq1A-3a5fA:
22.96
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.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)
3a5f DIHYDRODIPICOLINATE
SYNTHASE

(Clostridium
botulinum)
5 / 12 ILE A  61
GLY A  47
ALA A  10
ILE A  41
GLU A  59
None
None
KPI  A 162 ( 3.4A)
None
None
1.43A 1vq1A-3a5fA:
undetectable
1vq1A-3a5fA:
22.96
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.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
5 / 12 GLY A 221
ILE A  25
GLY A 182
VAL A 183
ILE A  31
None
None
None
KPI  A 184 ( 2.9A)
None
0.92A 2avsB-4hnnA:
undetectable
2avsB-4hnnA:
15.38
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.
2G70_B_SAMB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
4 / 7 TYR A 156
GLY A  68
THR A  69
ASN A 101
KPI  A 184 ( 3.8A)
KPI  A 184 ( 3.5A)
KPI  A 184 ( 4.3A)
None
1.07A 2g70B-4hnnA:
undetectable
2g70B-4hnnA:
22.35
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.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
1.06A 2oipA-5ktlA:
undetectable
2oipA-5ktlA:
20.62
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.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
0.93A 2oipD-5ktlA:
undetectable
2oipD-5ktlA:
20.62
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.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
0.83A 2oipE-5ktlA:
undetectable
2oipE-5ktlA:
20.62
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
5 / 12 LEU A 270
PRO A 263
THR A  70
GLY A  71
GLY A  67
None
None
KPI  A 184 ( 3.8A)
None
None
1.12A 2uvnA-4hnnA:
undetectable
2uvnA-4hnnA:
22.48
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.
2ZMA_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
5ud6 DIHYDRODIPICOLINATE
SYNTHASE

(Cyanidioschyzon
merolae)
5 / 11 TYR A 145
PHE A 258
ASN A 262
GLY A 149
ILE A 147
KPI  A 174 ( 3.7A)
None
None
None
None
1.50A 2zmaA-5ud6A:
undetectable
2zmaA-5ud6A:
13.35
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
4pfm 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Shewanella
benthica)
5 / 12 ILE A  74
ALA A  38
ASN A   3
ALA A   8
ILE A 158
None
None
None
KPI  A 161 ( 3.4A)
None
1.04A 3e00A-4pfmA:
undetectable
3e00A-4pfmA:
21.12
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.
3HGX_A_SALA102_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae)
4 / 7 MET A 155
ILE A 139
TYR A 140
ILE A 138
None
None
KPI  A 168 ( 3.8A)
None
0.99A 3hgxA-4fhaA:
undetectable
3hgxA-4fhaA:
17.04
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.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
1.07A 3hj3B-5ktlA:
undetectable
3hj3B-5ktlA:
20.92
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.
3HJ3_D_MTXD615_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
None
None
KPI  A 164 ( 3.5A)
None
None
0.93A 3hj3D-5ktlA:
undetectable
3hj3D-5ktlA:
20.92
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.
3NU5_B_478B401_2
(PROTEASE)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
5 / 12 GLY A 221
ILE A  25
GLY A 182
VAL A 183
ILE A  31
None
None
None
KPI  A 184 ( 2.9A)
None
0.95A 3nu5B-4hnnA:
undetectable
3nu5B-4hnnA:
15.38
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.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
5 / 12 GLY A 221
ILE A  25
GLY A 182
VAL A 183
ILE A  31
None
None
None
KPI  A 184 ( 2.9A)
None
0.87A 3oxxC-4hnnA:
undetectable
3oxxC-4hnnA:
17.58
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)
5ud6 DIHYDRODIPICOLINATE
SYNTHASE

(Cyanidioschyzon
merolae)
5 / 9 ASP A 201
THR A  16
TYR A 145
GLY A 199
ASP A 200
None
None
KPI  A 174 ( 3.7A)
KPI  A 174 ( 3.8A)
None
1.35A 3sfuA-5ud6A:
undetectable
3sfuA-5ud6A:
9.71
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.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
5 / 9 LEU A 266
ASN A 262
VAL A 254
GLY A 205
ILE A 223
None
None
None
KPI  A 184 ( 4.3A)
KPI  A 184 ( 3.5A)
1.23A 3spkA-4hnnA:
undetectable
3spkA-4hnnA:
17.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)
4imd N-ACETYLNEURAMINATE
LYASE

(Pasteurella
multocida)
8 / 10 ILE A 138
LEU A 141
THR A 166
GLY A 188
ASP A 190
GLU A 191
GLY A 206
SER A 207
None
None
None
KPI  A 164 ( 4.4A)
EDO  A 303 (-3.4A)
EDO  A 303 (-3.4A)
KPI  A 164 ( 4.2A)
EDO  A 303 ( 4.0A)
0.50A 4bwlC-4imdA:
42.2
4bwlC-4imdA:
36.27
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.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila)
3 / 3 GLY A 185
SER A 184
TRP A 193
KPI  A 160 ( 3.8A)
None
None
0.97A 4e7cD-4nq1A:
undetectable
4e7cD-4nq1A:
23.08
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.
4FGZ_B_CQAB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
4 / 8 GLY A  68
GLY A 100
VAL A 154
TYR A 156
KPI  A 184 ( 3.5A)
None
None
KPI  A 184 ( 3.8A)
0.71A 4fgzB-4hnnA:
undetectable
4fgzB-4hnnA:
20.23
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)
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis)
5 / 12 LEU A 154
ILE A 124
HIS A 120
LEU A 134
GLY A  80
None
None
None
KPI  A 164 ( 4.8A)
None
1.28A 4l9qA-5ktlA:
undetectable
4l9qA-5ktlA:
18.95
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.
4U9U_A_ACTA1502_0
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F)
3hij DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
anthracis)
4 / 5 GLY A 166
ALA A 165
GLY A 139
PRO A 138
None
KPI  A 163 ( 4.9A)
None
None
0.91A 4u9uA-3hijA:
undetectable
4u9uA-3hijA:
22.82
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.
4U9U_B_ACTB1502_0
(NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F)
3hij DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
anthracis)
4 / 5 GLY A 166
ALA A 165
GLY A 139
PRO A 138
None
KPI  A 163 ( 4.9A)
None
None
0.90A 4u9uB-3hijA:
undetectable
4u9uB-3hijA:
22.82
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.
4XE0_A_40LA1101_0
(PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT DELTA
ISOFORM)
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis
vinifera)
5 / 12 PRO A 231
TYR A  49
THR A  70
ASN A 262
ILE A  34
None
None
KPI  A 184 ( 3.8A)
None
None
1.37A 4xe0A-4hnnA:
undetectable
4xe0A-4hnnA:
15.63
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.
5IEN_A_VDYA201_1
(CDL2.2)
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae)
5 / 12 LEU A  57
LEU A 262
MET A 265
ALA A  14
LEU A  37
None
None
None
KPI  A 168 ( 3.5A)
None
1.32A 5ienA-4fhaA:
undetectable
5ienA-4fhaA:
17.95
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.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)
3fkr L-2-KETO-3-DEOXYARAB
ONATE DEHYDRATASE

(Azospirillum
brasilense)
4 / 6 MET A 152
GLU A 184
GLY A 225
GLY A  22
KPI  A 182 ( 3.9A)
NA  A 409 ( 2.1A)
None
None
0.92A 5x7pB-3fkrA:
undetectable
5x7pB-3fkrA:
12.47
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.
5Y2T_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila)
5 / 12 LEU A  87
GLY A  42
LEU A  23
ILE A  59
LEU A 265
None
KPI  A 160 ( 3.5A)
None
None
None
1.19A 5y2tA-4nq1A:
undetectable
5y2tA-4nq1A:
undetectable
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)
3hij DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
anthracis)
5 / 12 GLY A 188
ILE A 204
THR A 193
ILE A 175
ILE A 162
KPI  A 163 ( 3.9A)
None
None
None
KPI  A 163 ( 3.7A)
0.97A 6emuA-3hijA:
2.7
6emuA-3hijA:
19.47