SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ACD'


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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		 5fb7 ENVELOPE
GLYCOPROTEIN
(Talaromyces
marneffei) 		5 / 12 LEU A  90
HIS A  39
GLY A  44
VAL A 106
ASP A  43
 ACD  A 201 ( 4.5A)
None
ACD  A 201 ( 3.8A)
ACD  A 201 ( 4.2A)
None
 0.96A 3bwcB-5fb7A:
undetectable		 3bwcB-5fb7A:
20.27
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.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 5j5l UNCHARACTERIZED
PROTEIN
(Aspergillus
fumigatus) 		5 / 12 ALA A 133
GLU A  69
LEU A  68
GLN A  67
VAL A 127
 None
None
None
None
ACD  A 201 (-4.1A)
 1.02A 3ix9A-5j5lA:
undetectable		 3ix9A-5j5lA:
19.90
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		 3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN
(Plexaura
homomalla) 		4 / 6 ASN A 947
HIS A 943
LEU A 758
ASP A 797
 FE2  A1500 (-3.7A)
FE2  A1500 (-3.2A)
None
ACD  A2001 ( 4.5A)
 1.11A 3oi8A-3fg4A:
undetectable		 3oi8A-3fg4A:
13.52
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.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)		 4b0n POLYKETIDE SYNTHASE
III
(Ectocarpus
siliculosus) 		4 / 5 PHE A 165
LEU A 284
GLY A 193
VAL A 160
 MLA  A1415 (-4.3A)
ACD  A1416 (-4.3A)
ACD  A1416 ( 4.3A)
None
 1.03A 3wrkD-4b0nA:
undetectable		 3wrkD-4b0nA:
22.47
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.
4FN9_A_STRA301_1
(STEROID RECEPTOR 2)		 5j5l UNCHARACTERIZED
PROTEIN
(Aspergillus
fumigatus) 		5 / 12 LEU A 128
LEU A 131
ASN A 132
LEU A 134
ALA A 167
 None
ACD  A 201 ( 4.6A)
None
ACD  A 201 (-4.2A)
None
 1.09A 4fn9A-5j5lA:
undetectable		 4fn9A-5j5lA:
22.39
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.
4M5M_A_DX4A401_0
(2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE)		 4b0n POLYKETIDE SYNTHASE
III
(Ectocarpus
siliculosus) 		4 / 8 GLY A 333
LEU A 239
ASN A 364
PHE A 243
 None
None
None
ACD  A1416 (-4.9A)
 1.06A 4m5mA-4b0nA:
undetectable		 4m5mA-4b0nA:
17.87
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN
(Plexaura
homomalla) 		3 / 3 LYS A1002
ILE A1066
ILE A 796
 None
None
ACD  A2001 ( 4.9A)
 0.59A 4y0qA-3fg4A:
undetectable		 4y0qA-3fg4A:
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		 4b0n POLYKETIDE SYNTHASE
III
(Ectocarpus
siliculosus) 		4 / 8 ALA A 244
ASN A 364
ARG A  91
HIS A 240
 None
None
ACD  A1416 (-3.4A)
ACD  A1416 (-3.9A)
 1.23A 5db5A-4b0nA:
undetectable
5db5B-4b0nA:
undetectable		 5db5A-4b0nA:
21.14
5db5B-4b0nA:
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.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		 4b0n POLYKETIDE SYNTHASE
III
(Ectocarpus
siliculosus) 		5 / 12 PHE A 230
VAL A  65
PHE A  98
ILE A  88
PHE A  93
 ACD  A1416 (-4.7A)
None
ACD  A1416 (-4.1A)
None
ACD  A1416 ( 4.5A)
 1.18A 5hkgA-4b0nA:
undetectable		 5hkgA-4b0nA:
12.32
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 4b0n POLYKETIDE SYNTHASE
III
(Ectocarpus
siliculosus) 		5 / 12 VAL A 160
GLU A 222
ALA A 196
SER A 367
LEU A 284
 None
None
None
None
ACD  A1416 (-4.3A)
 1.39A 5nd2B-4b0nA:
undetectable		 5nd2B-4b0nA:
20.89