SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ll9'

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.
1HXB_A_ROCA100_4
(HIV-1 PROTEASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 GLY A 219
ASP A 158
GLY A 176
THR A 260
 ADP  A 267 (-3.4A)
ADP  A 267 ( 4.4A)
None
None
 0.87A 1hxbB-3ll9A:
undetectable		 1hxbB-3ll9A:
15.61
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.
1KIJ_B_NOVB444_2
(DNA GYRASE SUBUNIT B)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 ASP A 141
PHE A 110
VAL A 138
 None
 0.78A 1kijB-3ll9A:
undetectable		 1kijB-3ll9A:
22.14
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 ALA A 243
ASN A  25
ILE A  11
ASP A  22
 None
 0.77A 1yc2A-3ll9A:
2.9		 1yc2A-3ll9A:
21.99
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 ALA A 243
ASN A  25
ILE A  11
ASP A  22
 None
 0.77A 1yc2D-3ll9A:
4.0		 1yc2D-3ll9A:
21.99
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.
1YC5_A_NCAA2001_0
(NAD-DEPENDENT
DEACETYLASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ALA A 243
ASN A  25
ILE A  11
ASP A  22
 None
 0.78A 1yc5A-3ll9A:
3.6		 1yc5A-3ll9A:
24.38
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.
2C7V_B_MTXB1272_1
(PTERIDINE REDUCTASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PRO A 107
PHE A 110
LEU A 130
PRO A 136
MET A  42
 None
 1.36A 2c7vB-3ll9A:
2.4		 2c7vB-3ll9A:
21.89
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.
2C7V_C_MTXC1272_1
(PTERIDINE REDUCTASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PRO A 107
PHE A 110
LEU A 130
PRO A 136
MET A  42
 None
 1.34A 2c7vC-3ll9A:
2.4		 2c7vC-3ll9A:
21.89
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.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 ALA A 243
ASN A  25
ILE A  11
ASP A  22
 None
 0.82A 2h4jA-3ll9A:
3.4		 2h4jA-3ll9A:
24.38
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.
2X9G_A_LYAA1270_1
(PTERIDINE REDUCTASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PRO A 107
PHE A 110
LEU A 130
PRO A 136
MET A  42
 None
 1.39A 2x9gA-3ll9A:
2.4		 2x9gA-3ll9A:
24.76
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.
2X9G_C_LYAC1270_1
(PTERIDINE REDUCTASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PRO A 107
PHE A 110
LEU A 130
PRO A 136
MET A  42
 None
 1.36A 2x9gC-3ll9A:
2.4		 2x9gC-3ll9A:
24.76
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.
2X9G_D_LYAD1270_1
(PTERIDINE REDUCTASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PRO A 107
PHE A 110
LEU A 130
PRO A 136
MET A  42
 None
 1.38A 2x9gD-3ll9A:
3.6		 2x9gD-3ll9A:
24.76
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.
3BMC_C_FOLC270_0
(PTERIDINE REDUCTASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PRO A 107
PHE A 110
LEU A 130
PRO A 136
MET A  42
 None
 1.38A 3bmcC-3ll9A:
2.4		 3bmcC-3ll9A:
24.76
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ARG A 261
PRO A  38
SER A  39
GLY A 254
 None
 1.08A 3hcrB-3ll9A:
4.0		 3hcrB-3ll9A:
24.52
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 ARG A  59
VAL A 142
THR A  80
 None
 0.87A 3k4vA-3ll9A:
undetectable		 3k4vA-3ll9A:
16.54
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.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 GLY A 219
ASP A 158
GLY A 176
THR A 260
 ADP  A 267 (-3.4A)
ADP  A 267 ( 4.4A)
None
None
 0.95A 3k4vC-3ll9A:
undetectable		 3k4vC-3ll9A:
16.54
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLY A 176
GLY A   7
LEU A 175
ALA A 242
ASN A 241
 None
ADP  A 267 (-3.1A)
None
None
None
 1.01A 3kkzA-3ll9A:
undetectable		 3kkzA-3ll9A:
22.83
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.
3NDT_A_ROCA101_2
(PROTEASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 ARG A  59
VAL A 142
THR A  80
 None
 0.77A 3ndtA-3ll9A:
undetectable		 3ndtA-3ll9A:
16.54
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.
3NDT_A_ROCA101_2
(PROTEASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 ARG A  72
VAL A 142
THR A  80
 None
 0.73A 3ndtA-3ll9A:
undetectable		 3ndtA-3ll9A:
16.54
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.
3NDU_D_ROCD100_3
(PROTEASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 ARG A  59
VAL A 142
THR A  80
 None
 0.86A 3nduD-3ll9A:
undetectable		 3nduD-3ll9A:
16.54
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.
3TL9_A_ROCA401_2
(PROTEASE)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 ARG A  59
VAL A 142
THR A  80
 None
 0.88A 3tl9A-3ll9A:
undetectable		 3tl9A-3ll9A:
16.42
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.
4A97_D_ZPCD1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 VAL A  10
ARG A  28
ILE A  29
ASN A  25
 None
 1.04A 4a97C-3ll9A:
1.2		 4a97C-3ll9A:
23.19
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.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 10 ILE A 240
ALA A 251
GLU A 255
GLY A  34
ASN A  35
 None
 1.44A 4e47D-3ll9A:
undetectable		 4e47D-3ll9A:
24.24
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.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 ILE A 118
ARG A 117
PRO A 136
VAL A  44
 None
 1.32A 4f4dB-3ll9A:
3.7		 4f4dB-3ll9A:
24.79
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.
4F4D_B_CHDB505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 LEU A 160
ILE A 155
SER A   9
THR A  12
HIS A  52
 None
None
ADP  A 267 (-2.7A)
None
None
 1.23A 4f4dB-3ll9A:
3.1		 4f4dB-3ll9A:
24.79
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.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 11 ILE A 240
ALA A 251
GLU A 255
GLY A  34
ASN A  35
 None
 1.42A 4jlgB-3ll9A:
undetectable		 4jlgB-3ll9A:
24.24
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.
5IZF_E_AZ1E2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
6J9-ZEU-DAR-ACA-DAR-
NH2)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 GLY A   7
GLY A  48
SER A  49
PHE A  50
 ADP  A 267 (-3.1A)
None
None
None
 0.88A 5izfA-3ll9A:
undetectable		 5izfA-3ll9A:
23.14
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.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3ll9 ISOPENTENYL
PHOSPHATE KINASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 LEU A 228
ILE A 248
MET A 220
GLY A 222
 None
None
ADP  A 267 (-4.5A)
None
 1.08A 6hd6A-3ll9A:
undetectable		 6hd6A-3ll9A:
15.97