SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2PN'


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.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		5 / 10 THR A 732
ASP A 731
GLY A 245
GLY A 286
ALA A 251
 None
2PN  A1773 (-3.9A)
None
None
None
 1.10A 1x7pA-4a01A:
undetectable
1x7pB-4a01A:
undetectable		 1x7pA-4a01A:
16.16
1x7pB-4a01A:
16.16
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.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		5 / 10 ASP A 230
ARG A 242
ILE A 124
LEU A 198
GLY A 128
 None
None
None
None
2PN  A 301 (-3.3A)
 1.37A 2v0mA-5b8hA:
undetectable		 2v0mA-5b8hA:
18.51
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Streptococcus
agalactiae) 		4 / 5 HIS A 100
ASP A  77
HIS A  99
ASP A  15
 2PN  A1001 (-3.9A)
MN  A 401 (-2.3A)
MN  A 402 ( 3.7A)
MN  A 402 (-3.2A)
 1.21A 3c0zA-2enxA:
undetectable		 3c0zA-2enxA:
22.32
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Streptococcus
agalactiae) 		4 / 6 HIS A  99
HIS A 100
ASP A 151
ASP A  13
 MN  A 402 ( 3.7A)
2PN  A1001 (-3.9A)
MN  A 402 ( 2.7A)
MN  A 401 (-2.6A)
 1.18A 3c0zC-2enxA:
undetectable		 3c0zC-2enxA:
22.32
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.
3KD5_E_PPFE914_1
(DNA POLYMERASE)		 5c5v ACIDOCALCISOMAL
PYROPHOSPHATASE
(Trypanosoma
brucei) 		4 / 5 ASP A 291
ARG A 259
LYS A 237
ASP A 328
 MG  A 503 ( 2.7A)
2PN  A 501 ( 2.9A)
2PN  A 501 (-2.7A)
MG  A 503 (-2.3A)
 1.36A 3kd5E-5c5vA:
0.0		 3kd5E-5c5vA:
18.08
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.
3TL9_A_ROCA401_4
(PROTEASE)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		4 / 4 ASP A 230
ASP A 231
GLY A 226
THR A 131
 None
None
2PN  A 301 ( 4.9A)
None
 1.31A 3tl9B-5b8hA:
undetectable		 3tl9B-5b8hA:
16.25
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.09A 4feuB-4a01A:
undetectable		 4feuB-4a01A:
16.82
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 ASP A 269
ASP A 287
ASN A 280
ASP A 507
 MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
MG  A1768 (-2.5A)
 0.94A 4feuB-4a01A:
undetectable		 4feuB-4a01A:
16.82
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.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.13A 4feuF-4a01A:
undetectable		 4feuF-4a01A:
16.82
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.16A 4fevB-4a01A:
undetectable		 4fevB-4a01A:
16.82
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.10A 4fevD-4a01A:
undetectable		 4fevD-4a01A:
16.82
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.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.11A 4fevF-4a01A:
undetectable		 4fevF-4a01A:
16.82
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.13A 4fewB-4a01A:
0.7		 4fewB-4a01A:
16.82
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.13A 4fewD-4a01A:
undetectable		 4fewD-4a01A:
16.82
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.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.10A 4fewF-4a01A:
0.7		 4fewF-4a01A:
16.82
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.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.08A 4fexB-4a01A:
undetectable		 4fexB-4a01A:
16.82
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.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.10A 4gkhB-4a01A:
undetectable		 4gkhB-4a01A:
16.82
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.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.15A 4gkhD-4a01A:
undetectable		 4gkhD-4a01A:
16.82
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.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.11A 4gkhF-4a01A:
undetectable		 4gkhF-4a01A:
16.82
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.11A 4gkhG-4a01A:
undetectable		 4gkhG-4a01A:
16.82
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 6 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.14A 4gkhJ-4a01A:
undetectable		 4gkhJ-4a01A:
16.82
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 6 ASP A 723
ASP A 257
ASP A 287
GLU A 268
 MG  A1769 ( 3.9A)
MG  A1767 (-2.5A)
2PN  A1773 (-3.9A)
2PN  A1773 (-3.7A)
 1.28A 4gkhJ-4a01A:
undetectable		 4gkhJ-4a01A:
16.82
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.10A 4gkhC-4a01A:
undetectable
4gkhK-4a01A:
0.7		 4gkhC-4a01A:
16.82
4gkhK-4a01A:
16.82
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 269
ASP A 283
GLU A 268
ASP A 731
 MG  A1768 ( 3.9A)
MG  A1770 ( 2.7A)
2PN  A1773 (-3.7A)
2PN  A1773 (-3.9A)
 1.14A 4gkhC-4a01A:
undetectable
4gkhK-4a01A:
0.7		 4gkhC-4a01A:
16.82
4gkhK-4a01A:
16.82
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.14A 4gkiA-4a01A:
undetectable		 4gkiA-4a01A:
16.82
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.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.10A 4gkiC-4a01A:
undetectable		 4gkiC-4a01A:
16.82
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.10A 4gkiE-4a01A:
undetectable
4gkiG-4a01A:
undetectable		 4gkiE-4a01A:
16.82
4gkiG-4a01A:
16.82
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 269
ASP A 283
GLU A 268
ASP A 731
 MG  A1768 ( 3.9A)
MG  A1770 ( 2.7A)
2PN  A1773 (-3.7A)
2PN  A1773 (-3.9A)
 1.10A 4gkiE-4a01A:
undetectable
4gkiG-4a01A:
undetectable		 4gkiE-4a01A:
16.82
4gkiG-4a01A:
16.82
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.
4K0B_B_SAMB504_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 8 ASP A 500
LYS A 541
ALA A 538
ASP A 287
 None
None
None
2PN  A1773 (-3.9A)
 1.06A 4k0bB-4a01A:
undetectable		 4k0bB-4a01A:
21.01
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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 6 ASP A 283
ASP A 507
ALA A 531
ASP A 287
 MG  A1770 ( 2.7A)
MG  A1768 (-2.5A)
None
2PN  A1773 (-3.9A)
 0.97A 4mdaA-4a01A:
undetectable		 4mdaA-4a01A:
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.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 6 ASP A 283
ASP A 507
ALA A 531
ASP A 287
 MG  A1770 ( 2.7A)
MG  A1768 (-2.5A)
None
2PN  A1773 (-3.9A)
 0.93A 4mdbA-4a01A:
undetectable		 4mdbA-4a01A:
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.
4QW3_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		5 / 10 ALA A 202
GLY A 226
GLY A 227
ALA A 228
ASP A 231
 None
2PN  A 301 ( 4.9A)
None
None
None
 1.05A 4qw3Y-5b8hA:
undetectable
4qw3Z-5b8hA:
undetectable		 4qw3Y-5b8hA:
18.86
4qw3Z-5b8hA:
20.71
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.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 5b8h TYPE III
PANTOTHENATE KINASE
(Burkholderia
cenocepacia) 		4 / 7 GLY A 128
SER A  13
GLY A  11
ALA A 130
 2PN  A 301 (-3.3A)
2PN  A 301 (-3.9A)
2PN  A 301 (-3.2A)
PAU  A 302 ( 4.4A)
 0.97A 5e26A-5b8hA:
11.7
5e26B-5b8hA:
10.9		 5e26A-5b8hA:
22.69
5e26B-5b8hA:
22.69
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		5 / 12 SER A 294
HIS A  98
ASP A  75
HIS A  97
ASP A  15
 2PN  A2001 ( 4.1A)
SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.36A 5eeiA-2hawA:
undetectable		 5eeiA-2hawA:
21.30
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		5 / 12 SER A 294
HIS A  98
ASP A  75
HIS A  97
ASP A  15
 2PN  A2001 ( 4.1A)
SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.37A 5eeiB-2hawA:
undetectable		 5eeiB-2hawA:
21.30
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		5 / 12 SER A 294
HIS A  98
ASP A  75
HIS A  97
ASP A  15
 2PN  A2001 ( 4.1A)
SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.38A 5eenB-2hawA:
undetectable		 5eenB-2hawA:
21.30
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.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		5 / 12 SER A 294
HIS A  98
ASP A  75
HIS A  97
ASP A  15
 2PN  A2001 ( 4.1A)
SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.38A 5ef8A-2hawA:
undetectable		 5ef8A-2hawA:
21.30
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.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE
(Bacillus
subtilis) 		5 / 12 SER A 294
HIS A  98
ASP A  75
HIS A  97
ASP A  15
 2PN  A2001 ( 4.1A)
SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.39A 5ef8B-2hawA:
undetectable		 5ef8B-2hawA:
21.30
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.
5HP1_C_PPFC601_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 6 ASP A 727
GLY A 726
ASP A 723
LYS A 250
 MG  A1769 ( 2.5A)
None
MG  A1769 ( 3.9A)
2PN  A1773 (-3.1A)
 1.44A 5hp1C-4a01A:
0.9		 5hp1C-4a01A:
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.
5HP1_C_PPFC601_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 5c5v ACIDOCALCISOMAL
PYROPHOSPHATASE
(Trypanosoma
brucei) 		4 / 6 LYS A 237
ARG A 259
ASP A 296
ASP A 328
 2PN  A 501 (-2.7A)
2PN  A 501 ( 2.9A)
MG  A 505 (-2.3A)
MG  A 503 (-2.3A)
 1.35A 5hp1C-5c5vA:
undetectable		 5hp1C-5c5vA:
21.30
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.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 7 GLY A 503
ASP A 287
GLY A 540
ILE A 539
 K  A1772 ( 4.5A)
2PN  A1773 (-3.9A)
None
None
 0.69A 5kqyB-4a01A:
undetectable		 5kqyB-4a01A:
10.22
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 4a01 PROTON
PYROPHOSPHATASE
(Vigna
radiata) 		4 / 6 ASP A 257
VAL A 254
GLU A 268
ALA A 531
 MG  A1767 (-2.5A)
None
2PN  A1773 (-3.7A)
None
 1.12A 6djzB-4a01A:
undetectable		 6djzB-4a01A:
14.31