SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2q1d'

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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 12 LEU X  57
LEU X  56
ILE X 279
THR X 160
ILE X  23
 None
 1.15A 1tw4A-2q1dX:
undetectable		 1tw4A-2q1dX:
19.39
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.
2JKJ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		4 / 5 PRO X  30
PRO X  73
ILE X 251
GLY X 249
 None
 1.03A 2jkjD-2q1dX:
undetectable		 2jkjD-2q1dX:
19.65
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.
2JKJ_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		4 / 5 PRO X  30
PRO X  73
ILE X 251
GLY X 249
 None
 1.03A 2jkjF-2q1dX:
undetectable		 2jkjF-2q1dX:
19.65
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		4 / 8 ASP X 164
LYS X 182
GLY X 255
GLU X 145
 MG  X 294 ( 3.0A)
DO4  X 897 ( 2.8A)
DO4  X 897 (-3.1A)
MG  X 294 ( 2.7A)
 0.94A 2ys6A-2q1dX:
undetectable		 2ys6A-2q1dX:
21.88
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.
3BJW_B_SVRB512_2
(PHOSPHOLIPASE A2)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		4 / 7 VAL X 148
ILE X 279
GLY X 280
LEU X  57
 None
 0.89A 3bjwB-2q1dX:
undetectable		 3bjwB-2q1dX:
16.26
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_F_SVRF509_3
(PHOSPHOLIPASE A2)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		4 / 7 VAL X 148
ILE X 279
GLY X 280
LEU X  57
 None
 0.90A 3bjwF-2q1dX:
undetectable		 3bjwF-2q1dX:
16.26
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_H_SVRH511_3
(PHOSPHOLIPASE A2)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		4 / 7 VAL X 148
ILE X 279
GLY X 280
LEU X  57
 None
 0.86A 3bjwH-2q1dX:
undetectable		 3bjwH-2q1dX:
16.26
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.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 12 ILE X 251
THR X 160
THR X 253
VAL X  76
PRO X  73
 None
 1.19A 3kpbA-2q1dX:
undetectable		 3kpbA-2q1dX:
19.72
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.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 12 ILE X 251
THR X 160
THR X 253
VAL X  76
PRO X  73
 None
 1.20A 3kpbC-2q1dX:
undetectable		 3kpbC-2q1dX:
19.72
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.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 11 ILE X 251
THR X 160
THR X 253
VAL X  76
PRO X  73
 None
 1.18A 3kpcA-2q1dX:
undetectable		 3kpcA-2q1dX:
22.31
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.
3KPD_B_SAMB1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 12 ILE X 251
THR X 160
THR X 253
VAL X  76
PRO X  73
 None
 1.17A 3kpdB-2q1dX:
undetectable		 3kpdB-2q1dX:
19.72
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.
4DT8_A_ADNA401_1
(APH(2'')-ID)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 11 ALA X 147
ILE X 251
PRO X  70
LEU X  34
ILE X 194
 None
 1.10A 4dt8A-2q1dX:
undetectable		 4dt8A-2q1dX:
21.86
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.
4DT8_B_ADNB401_1
(APH(2'')-ID)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 10 ALA X 147
ILE X 251
PRO X  70
LEU X  34
ILE X 194
 None
 1.05A 4dt8B-2q1dX:
undetectable		 4dt8B-2q1dX:
21.86
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.
4DTA_A_ADNA401_1
(APH(2'')-ID)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 10 ALA X 147
ILE X 251
PRO X  70
LEU X  34
ILE X 194
 None
 1.15A 4dtaA-2q1dX:
undetectable		 4dtaA-2q1dX:
21.86
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.
4RJD_B_TFPB204_1
(CALMODULIN)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		4 / 8 LEU X 157
GLY X 158
ALA X  16
MET X   1
 None
 0.84A 4rjdA-2q1dX:
undetectable
4rjdB-2q1dX:
undetectable		 4rjdA-2q1dX:
14.78
4rjdB-2q1dX:
14.78
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.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		 2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE
(Sulfolobus
solfataricus) 		5 / 9 LEU X 266
GLY X 222
ILE X 258
VAL X 272
ILE X 212
 None
 1.17A 5kr2D-2q1dX:
undetectable		 5kr2D-2q1dX:
14.24