SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2xzi'

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.
1A4G_A_ZMRA466_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.38A 1a4gA-2xziA:
12.5
1a4gA-2xziA:
22.35
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.
1A4G_B_ZMRB466_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.31A 1a4gB-2xziA:
25.3
1a4gB-2xziA:
22.35
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 9 LEU A 195
GLY A 229
ILE A 252
GLY A 210
ILE A 227
None
1.01A 1hpvA-2xziA:
undetectable
1hpvA-2xziA:
13.05
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.
1NNC_A_ZMRA479_1
(NEURAMINIDASE N9)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.47A 1nncA-2xziA:
7.6
1nncA-2xziA:
22.03
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.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 6 ASN A 124
ARG A 171
ILE A  88
GLY A 123
KDM  A 500 ( 4.7A)
KDM  A 500 ( 4.9A)
None
None
1.11A 1oniD-2xziA:
undetectable
1oniF-2xziA:
undetectable
1oniD-2xziA:
13.73
1oniF-2xziA:
13.73
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.
2CML_A_ZMRA1477_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.46A 2cmlA-2xziA:
11.1
2cmlA-2xziA:
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.
2CML_B_ZMRB2477_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.45A 2cmlB-2xziA:
2.7
2cmlB-2xziA:
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.
2CML_C_ZMRC3477_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.44A 2cmlC-2xziA:
21.2
2cmlC-2xziA:
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.
2CML_D_ZMRD4477_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.47A 2cmlD-2xziA:
21.3
2cmlD-2xziA:
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.
2F0Z_A_ZMRA381_1
(SIALIDASE 2)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
7 / 12 ARG A  59
GLU A  76
ASN A 124
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 ( 4.7A)
KDM  A 500 ( 4.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.35A 2f0zA-2xziA:
12.0
2f0zA-2xziA:
26.46
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.
2F10_A_BCZA382_0
(SIALIDASE 2)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
9 / 12 ARG A  59
ILE A  60
GLU A  76
ARG A  78
ASN A 124
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
None
KDM  A 500 ( 4.7A)
KDM  A 500 (-3.5A)
KDM  A 500 ( 4.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.55A 2f10A-2xziA:
37.1
2f10A-2xziA:
26.46
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.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 11 ASN A 100
GLY A 365
ASP A 366
THR A  95
THR A 362
None
1.26A 2f9wA-2xziA:
undetectable
2f9wB-2xziA:
undetectable
2f9wA-2xziA:
21.41
2f9wB-2xziA:
21.41
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.
2HRE_D_CHDD702_0
(FERROCHELATASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
3 / 3 ARG A 262
GLY A 206
PRO A 207
None
0.77A 2hreD-2xziA:
undetectable
2hreD-2xziA:
22.09
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.
2HTQ_A_ZMRA472_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.63A 2htqA-2xziA:
21.4
2htqA-2xziA:
22.35
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 6 ASP A 293
SER A 359
LEU A 314
GLY A 298
None
1.02A 2j2pA-2xziA:
undetectable
2j2pC-2xziA:
undetectable
2j2pA-2xziA:
20.94
2j2pC-2xziA:
20.94
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.
2J2P_F_SC2F1289_1
(FICOLIN-2)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 6 ASP A 293
SER A 359
LEU A 314
GLY A 298
None
1.03A 2j2pD-2xziA:
undetectable
2j2pF-2xziA:
undetectable
2j2pD-2xziA:
20.94
2j2pF-2xziA:
20.94
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.
2V41_C_BEZC1218_0
(PEROXIREDOXIN 6.)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 8 PRO A 221
THR A 126
PRO A 127
VAL A 128
None
0.98A 2v41C-2xziA:
undetectable
2v41D-2xziA:
undetectable
2v41C-2xziA:
21.46
2v41D-2xziA:
21.46
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.
2V41_D_BEZD1222_0
(PEROXIREDOXIN 6.)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 8 PRO A 221
THR A 126
PRO A 127
VAL A 128
None
1.03A 2v41C-2xziA:
undetectable
2v41D-2xziA:
undetectable
2v41C-2xziA:
21.46
2v41D-2xziA:
21.46
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.
2V41_H_BEZH1222_0
(PEROXIREDOXIN 6.)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 8 PRO A 221
THR A 126
PRO A 127
VAL A 128
None
1.01A 2v41G-2xziA:
undetectable
2v41H-2xziA:
undetectable
2v41G-2xziA:
21.46
2v41H-2xziA:
21.46
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.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 10 ILE A 228
LEU A 218
VAL A 128
GLY A 210
ARG A 262
NO2  A 505 ( 4.6A)
None
None
None
None
1.27A 2wd9C-2xziA:
undetectable
2wd9C-2xziA:
20.34
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.
2YA7_A_ZMRA1776_1
(NEURAMINIDASE A)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ILE A  60
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
None
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.32A 2ya7A-2xziA:
41.5
2ya7A-2xziA:
26.09
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.
2YA7_B_ZMRB1776_1
(NEURAMINIDASE A)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ILE A  60
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
None
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.31A 2ya7B-2xziA:
41.0
2ya7B-2xziA:
26.09
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.
2YA7_B_ZMRB1776_1
(NEURAMINIDASE A)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ILE A  60
ILE A  88
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
None
None
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
1.18A 2ya7B-2xziA:
41.0
2ya7B-2xziA:
26.09
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.
2YA7_C_ZMRC1776_1
(NEURAMINIDASE A)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ILE A  60
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
None
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.29A 2ya7C-2xziA:
37.2
2ya7C-2xziA:
26.09
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.
2YA7_D_ZMRD1776_1
(NEURAMINIDASE A)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ILE A  60
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
None
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.29A 2ya7D-2xziA:
41.2
2ya7D-2xziA:
26.09
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.
2YA7_D_ZMRD1776_1
(NEURAMINIDASE A)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ILE A  60
ILE A  88
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
None
None
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
1.17A 2ya7D-2xziA:
41.2
2ya7D-2xziA:
26.09
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.
3B7E_A_ZMRA1001_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.51A 3b7eA-2xziA:
21.0
3b7eA-2xziA:
22.76
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.
3B7E_B_ZMRB1002_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.49A 3b7eB-2xziA:
19.1
3b7eB-2xziA:
22.76
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 11 THR A  95
THR A 362
ASN A 100
GLY A 365
ASP A 366
None
1.30A 3bexE-2xziA:
undetectable
3bexF-2xziA:
undetectable
3bexE-2xziA:
21.99
3bexF-2xziA:
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 11 ASN A 100
GLY A 365
ASP A 366
THR A  95
THR A 362
None
1.30A 3bf1A-2xziA:
undetectable
3bf1B-2xziA:
undetectable
3bf1A-2xziA:
21.99
3bf1B-2xziA:
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 11 ASN A 100
GLY A 365
ASP A 366
THR A  95
THR A 362
None
1.25A 3bf1C-2xziA:
undetectable
3bf1D-2xziA:
undetectable
3bf1C-2xziA:
21.99
3bf1D-2xziA:
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 11 THR A  95
THR A 362
ASN A 100
GLY A 365
ASP A 366
None
1.28A 3bf1C-2xziA:
undetectable
3bf1D-2xziA:
undetectable
3bf1C-2xziA:
21.99
3bf1D-2xziA:
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 11 ASN A 100
GLY A 365
ASP A 366
THR A  95
THR A 362
None
1.31A 3bf1E-2xziA:
undetectable
3bf1F-2xziA:
undetectable
3bf1E-2xziA:
21.99
3bf1F-2xziA:
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.
3CKZ_A_ZMRA469_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.39A 3ckzA-2xziA:
9.2
3ckzA-2xziA:
21.66
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.
3K37_B_BCZB468_0
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
0.49A 3k37B-2xziA:
2.7
3k37B-2xziA:
22.62
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.
3K39_B_BCZB1001_0
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 (-4.5A)
0.43A 3k39B-2xziA:
25.0
3k39B-2xziA:
22.22
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.
3LN1_A_CELA682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 8 LEU A 372
SER A 359
LEU A  90
ARG A  59
ILE A 390
None
None
None
KDM  A 500 (-2.7A)
None
1.26A 3ln1A-2xziA:
undetectable
3ln1A-2xziA:
20.03
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 7 LEU A 372
SER A 359
LEU A  90
ARG A  59
ILE A 390
None
None
None
KDM  A 500 (-2.7A)
None
1.26A 3ln1B-2xziA:
undetectable
3ln1B-2xziA:
20.03
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 7 SER A 359
LEU A  90
ARG A  59
ILE A 390
None
None
KDM  A 500 (-2.7A)
None
1.02A 3ln1C-2xziA:
undetectable
3ln1C-2xziA:
20.03
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.
3SAN_A_ZMRA901_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.40A 3sanA-2xziA:
10.2
3sanA-2xziA:
23.57
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.
3SAN_B_ZMRB901_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.39A 3sanB-2xziA:
19.8
3sanB-2xziA:
23.57
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.
3TEH_B_DAHB786_1
(PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 7 LEU A 139
GLY A  77
ALA A  75
PHE A  58
None
1.00A 3tehB-2xziA:
undetectable
3tehB-2xziA:
20.73
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.
3TI5_A_ZMRA1002_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.45A 3ti5A-2xziA:
20.8
3ti5A-2xziA:
23.56
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.
3TI5_B_ZMRB1002_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.47A 3ti5B-2xziA:
2.7
3ti5B-2xziA:
23.56
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.
3TIC_A_ZMRA1002_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.40A 3ticA-2xziA:
8.1
3ticA-2xziA:
23.45
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.
3TIC_B_ZMRB1002_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.43A 3ticB-2xziA:
10.8
3ticB-2xziA:
23.45
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.
3TIC_C_ZMRC1002_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.41A 3ticC-2xziA:
7.6
3ticC-2xziA:
23.45
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.
3TIC_D_ZMRD1002_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.41A 3ticD-2xziA:
21.4
3ticD-2xziA:
23.45
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.
3UFN_A_ROCA401_1
(HIV-1 PROTEASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 11 ASN A 263
VAL A 300
ILE A 329
THR A 255
PRO A 256
None
0.81A 3ufnA-2xziA:
undetectable
3ufnA-2xziA:
13.84
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.
4B7N_A_ZMRA601_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.47A 4b7nA-2xziA:
11.2
4b7nA-2xziA:
22.08
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.
4B7Q_A_ZMRA601_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.57A 4b7qA-2xziA:
11.0
4b7qA-2xziA:
22.96
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.
4B7Q_B_ZMRB601_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.55A 4b7qB-2xziA:
2.8
4b7qB-2xziA:
22.96
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.
4B7Q_C_ZMRC601_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.43A 4b7qC-2xziA:
11.4
4b7qC-2xziA:
22.96
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.
4B7Q_D_ZMRD601_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.59A 4b7qD-2xziA:
21.2
4b7qD-2xziA:
22.96
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.
4CPN_A_ZMRA700_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.50A 4cpnA-2xziA:
25.4
4cpnA-2xziA:
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.
4CPN_B_ZMRB700_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.48A 4cpnB-2xziA:
25.4
4cpnB-2xziA:
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.
4CPZ_A_ZMRA1471_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.35A 4cpzA-2xziA:
25.3
4cpzA-2xziA:
21.68
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.
4CPZ_B_ZMRB1471_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.32A 4cpzB-2xziA:
12.7
4cpzB-2xziA:
21.68
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.
4CPZ_C_ZMRC1470_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.48A 4cpzC-2xziA:
25.3
4cpzC-2xziA:
21.68
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.
4CPZ_D_ZMRD1471_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.26A 4cpzD-2xziA:
12.7
4cpzD-2xziA:
21.68
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.
4CPZ_E_ZMRE1471_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.47A 4cpzE-2xziA:
25.3
4cpzE-2xziA:
21.68
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.
4CPZ_F_ZMRF1470_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.49A 4cpzF-2xziA:
8.6
4cpzF-2xziA:
21.68
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.
4CPZ_G_ZMRG1471_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.44A 4cpzG-2xziA:
25.4
4cpzG-2xziA:
21.68
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.
4CPZ_H_ZMRH1470_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.53A 4cpzH-2xziA:
3.8
4cpzH-2xziA:
21.68
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 6 GLY A 353
MET A  43
ASN A  42
ILE A 391
None
0.98A 4fglD-2xziA:
undetectable
4fglD-2xziA:
23.03
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.
4I00_A_ZMRA509_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.46A 4i00A-2xziA:
11.3
4i00A-2xziA:
21.78
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.
4MJ8_A_SPMA201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 8 GLU A 374
TYR A 358
GLU A  76
TYR A 387
None
KDM  A 500 (-4.5A)
KDM  A 500 ( 4.7A)
None
1.08A 4mj8A-2xziA:
undetectable
4mj8C-2xziA:
undetectable
4mj8A-2xziA:
20.16
4mj8C-2xziA:
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.
4MWR_A_ZMRA513_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.41A 4mwrA-2xziA:
21.1
4mwrA-2xziA:
21.34
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.
4MWX_A_ZMRA513_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.48A 4mwxA-2xziA:
7.3
4mwxA-2xziA:
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.
4MX0_A_BCZA513_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
3 / 3 ARG A  59
ASP A  84
ARG A 322
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 ( 3.0A)
0.42A 4mx0A-2xziA:
11.0
4mx0A-2xziA:
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.
4WA5_A_ZMRA501_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.77A 4wa5A-2xziA:
9.8
4wa5A-2xziA:
23.15
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.
4WQ5_B_ACTB404_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
3 / 3 TYR A  31
ARG A 394
LYS A 368
None
1.26A 4wq5B-2xziA:
undetectable
4wq5B-2xziA:
23.84
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 6 SER A 140
GLY A 247
ARG A 265
GLY A 250
None
None
KDM  A 500 (-2.7A)
None
0.84A 5cdnA-2xziA:
undetectable
5cdnB-2xziA:
undetectable
5cdnA-2xziA:
21.84
5cdnB-2xziA:
20.26
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.
5L17_A_ZMRA512_1
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
6 / 12 ARG A  59
ASP A  84
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.43A 5l17A-2xziA:
6.0
5l17A-2xziA:
20.89
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.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
3 / 3 GLY A 356
THR A 126
PRO A  61
None
0.67A 5v5zA-2xziA:
undetectable
5v5zA-2xziA:
19.53
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.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 8 ILE A 211
PRO A 125
THR A 126
PRO A 221
None
1.12A 5x23A-2xziA:
undetectable
5x23A-2xziA:
20.63
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.
5XOO_B_ADNB503_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
4 / 5 LEU A 314
VAL A 373
GLU A 355
LEU A 344
None
1.02A 5xooB-2xziA:
undetectable
5xooB-2xziA:
13.11
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.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 PRO A 207
GLY A 206
LEU A 291
ASN A 315
ASP A 288
None
1.26A 5yn6A-2xziA:
undetectable
5yn6A-2xziA:
20.61
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.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A 230
GLY A 229
VAL A 219
THR A 278
GLY A 281
NO2  A 505 (-3.1A)
None
None
GOL  A 503 (-4.1A)
None
1.14A 6brdC-2xziA:
undetectable
6brdC-2xziA:
12.08
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.
6EKU_A_ZMRA901_1
(SIALIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
8 / 12 ARG A  59
ILE A  60
GLU A  76
ARG A  78
GLU A 249
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
None
KDM  A 500 ( 4.7A)
KDM  A 500 (-3.5A)
KDM  A 500 (-3.6A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.39A 6ekuA-2xziA:
36.8
6ekuA-2xziA:
19.40
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.
6HCX_A_ZMRA519_0
(NEURAMINIDASE)
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus)
5 / 12 ARG A  59
ASP A  84
ARG A 265
ARG A 322
TYR A 358
KDM  A 500 (-2.7A)
KDM  A 500 (-2.8A)
KDM  A 500 (-2.7A)
KDM  A 500 ( 3.0A)
KDM  A 500 (-4.5A)
0.44A 6hcxA-2xziA:
21.1
6hcxA-2xziA:
13.02