SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4nao'

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.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 6 ARG A  59
TYR A 125
ASN A 162
GLU A 130
 None
 1.20A 1rjdA-4naoA:
undetectable		 1rjdA-4naoA:
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.
1RJD_B_SAMB802_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 6 ARG A  59
TYR A 125
ASN A 162
GLU A 130
 None
 1.24A 1rjdB-4naoA:
undetectable		 1rjdB-4naoA:
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.
1RJD_C_SAMC803_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 6 ARG A  59
TYR A 125
ASN A 162
GLU A 130
 None
 1.26A 1rjdC-4naoA:
undetectable		 1rjdC-4naoA:
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 7 ASP A 244
ALA A 127
ARG A  86
TYR A 125
 None
 1.10A 2e5dA-4naoA:
undetectable
2e5dB-4naoA:
undetectable		 2e5dA-4naoA:
20.16
2e5dB-4naoA:
20.16
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 7 TYR A 125
ASP A 244
ALA A 127
ARG A  86
 None
 1.03A 2e5dA-4naoA:
undetectable
2e5dB-4naoA:
undetectable		 2e5dA-4naoA:
20.16
2e5dB-4naoA:
20.16
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 4 ILE A  35
ARG A 112
ILE A  23
THR A 165
 None
 0.88A 3ia4C-4naoA:
undetectable		 3ia4C-4naoA:
17.67
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.
3UCB_B_017B202_1
(PROTEASE)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 7 LYS A 226
ARG A 228
GLY A 132
PRO A 133
 None
AKG  A 402 (-2.9A)
None
None
 1.30A 3ucbB-4naoA:
undetectable		 3ucbB-4naoA:
17.18
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 8 ASP A 244
ALA A 127
ARG A  86
TYR A 125
 None
 1.09A 4lv9A-4naoA:
undetectable
4lv9B-4naoA:
undetectable		 4lv9A-4naoA:
20.36
4lv9B-4naoA:
20.36
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 7 TYR A 125
ASP A 244
ALA A 127
ARG A  86
 None
 1.05A 4lv9A-4naoA:
undetectable
4lv9B-4naoA:
undetectable		 4lv9A-4naoA:
20.36
4lv9B-4naoA:
20.36
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 8 HIS A 141
GLN A 138
LEU A 189
TRP A 140
 FE2  A 404 ( 3.7A)
AKG  A 402 (-3.5A)
None
None
 0.86A 5hs6A-4naoA:
undetectable		 5hs6A-4naoA:
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.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4nao PUTATIVE OXYGENASE
(Claviceps
purpurea) 		4 / 7 PHE A 170
VAL A 201
ILE A 210
THR A 177
 None
None
None
AKG  A 402 (-2.9A)
 1.04A 5vkqA-4naoA:
undetectable
5vkqD-4naoA:
undetectable		 5vkqA-4naoA:
11.21
5vkqD-4naoA:
11.21