Potential binding sites containing ten residues derived from binding site similarity searches

DrReposER ID Hit Organism /
Macromolecule		 Interface HETATM RMSD Dali Z-score Seq. Identity (%)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
GLU A 79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.2A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.68A 1hvyA-2aazA:
undetectable		 1hvyA-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_A_D16A414_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.90A 1hvyA-2aazA:
undetectable		 1hvyA-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_B_D16B415_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		GLU A 79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.2A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.82A 1hvyB-2aazA:
undetectable		 1hvyB-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
GLU A 79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.2A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.72A 1hvyC-2aazA:
undetectable		 1hvyC-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_C_D16C416_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.93A 1hvyC-2aazA:
undetectable		 1hvyC-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		GLU A 79
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315		 CB3 A2351 (-3.2A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.64A 1hvyD-2aazA:
undetectable		 1hvyD-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HVY_D_D16D417_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.90A 1hvyD-2aazA:
undetectable		 1hvyD-2aazA:
61.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_A_LYAA317_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.36A 1ju6A-2aazA:
undetectable		 1ju6A-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JU6_D_LYAD315_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		LYS A 69
PHE A 72
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315		 CB3 A2351 ( 4.1A)
CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.37A 1ju6D-2aazA:
undetectable		 1ju6D-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_A_LYAA315_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		LYS A 69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 ( 4.1A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.36A 1jujA-2aazA:
undetectable		 1jujA-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_B_LYAB315_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		LYS A 69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 ( 4.1A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.35A 1jujB-2aazA:
undetectable		 1jujB-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_C_LYAC315_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		LYS A 69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 ( 4.1A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.35A 1jujC-2aazA:
undetectable		 1jujC-2aazA:
58.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JUJ_D_LYAD315_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		LYS A 69
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 ( 4.1A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.35A 1jujD-2aazA:
undetectable		 1jujD-2aazA:
58.41
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.
1X70_A_715A801_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
TYR A 669
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.63A 1x70A-6eotA:
undetectable		 1x70A-6eotA:
7.26
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.
1X70_B_715B801_1 6eot DIPEPTIDYL
PEPTIDASE 8

Homo sapiens 		ARG A 160
GLU A 275
GLU A 276
SER A 755
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865		 None
 0.62A 1x70B-6eotA:
undetectable		 1x70B-6eotA:
7.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_A_LYAA513_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		GLU A 79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.2A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.29A 3k2hA-2aazA:
undetectable		 3k2hA-2aazA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3K2H_B_LYAB513_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		GLU A 79
ILE A 100
TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.2A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.30A 3k2hB-2aazA:
undetectable		 3k2hB-2aazA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_A_D16A530_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		GLU A 79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.2A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.47A 3nrrA-2aazA:
undetectable		 3nrrA-2aazA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NRR_B_D16B530_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		GLU A 79
ILE A 100
TRP A 101
ASN A 104
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
MET A 315		 CB3 A2351 (-3.2A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.49A 3nrrB-2aazA:
undetectable		 3nrrB-2aazA:
31.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3QXY_B_SAMB6735_0 3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

Homo sapiens 		VAL A 72
ALA A 73
GLY A 74
TYR A 75
ALA A 222
TYR A 223
ASN A 251
TYR A 285
TYR A 297
PHE A 299		 SAM A 484 (-4.6A)
SAM A 484 (-3.3A)
SAM A 484 (-3.4A)
None
SAM A 484 (-3.5A)
SAM A 484 (-3.6A)
SAM A 484 (-3.1A)
SAM A 484 (-4.8A)
None
SAM A 484 (-3.5A)
 0.12A 3qxyB-3rc0A:
57.6
3qxyQ-3rc0A:
undetectable		 3qxyB-3rc0A:
100.00
3qxyQ-3rc0A:
2.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSS_A_FOLA201_0 3ia4 DIHYDROFOLATE
REDUCTASE

Moritella
profunda 		ILE A 6
ALA A 8
MET A 21
LEU A 29
PHE A 32
THR A 47
ILE A 51
LEU A 55
ILE A 96
TYR A 102		 MTX A 164 (-4.0A)
MTX A 164 ( 3.7A)
MTX A 164 (-3.3A)
MTX A 164 (-4.0A)
MTX A 164 (-4.1A)
NDP A 163 (-3.4A)
MTX A 164 (-4.1A)
MTX A 164 ( 4.4A)
MTX A 164 ( 4.2A)
None
 0.48A 4pssA-3ia4A:
undetectable		 4pssA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSS_A_FOLA201_0 4p68 DIHYDROFOLATE
REDUCTASE

Escherichia coli 		ILE A 5
ALA A 7
MET A 20
ALA A 29
TRP A 30
PHE A 31
THR A 46
ILE A 50
ILE A 94
TYR A 100		 MTX A 201 (-4.1A)
MTX A 201 ( 4.0A)
MTX A 201 ( 3.6A)
None
None
MTX A 201 (-4.1A)
NAP A 202 (-3.2A)
MTX A 201 (-4.7A)
MTX A 201 ( 4.3A)
None
 0.38A 4pssA-4p68A:
undetectable		 4pssA-4p68A:
98.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PSS_A_FOLA201_0 5dxv RETHREADED DHFR

synthetic
construct 		ILE A 5
ALA A 7
ALA A 46
TRP A 47
PHE A 48
THR A 63
ILE A 67
LEU A 71
ILE A 111
TYR A 117		 None
NAP A 201 (-3.7A)
EDO A 203 (-3.6A)
None
PEG A 202 ( 3.7A)
NAP A 201 (-3.7A)
PEG A 202 ( 4.9A)
None
None
None
 0.44A 4pssA-5dxvA:
undetectable		 4pssA-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PST_A_FOLA201_0 3ia4 DIHYDROFOLATE
REDUCTASE

Moritella
profunda 		ALA A 8
MET A 21
LEU A 29
PHE A 32
LYS A 33
THR A 47
ILE A 51
ILE A 96
TYR A 102
THR A 115		 MTX A 164 ( 3.7A)
MTX A 164 (-3.3A)
MTX A 164 (-4.0A)
MTX A 164 (-4.1A)
MTX A 164 (-3.2A)
NDP A 163 (-3.4A)
MTX A 164 (-4.1A)
MTX A 164 ( 4.2A)
None
MTX A 164 (-4.3A)
 0.47A 4pstA-3ia4A:
undetectable		 4pstA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PST_A_FOLA201_0 3ia4 DIHYDROFOLATE
REDUCTASE

Moritella
profunda 		ALA A 8
MET A 21
LEU A 29
PHE A 32
THR A 47
ILE A 51
LEU A 55
ILE A 96
TYR A 102
THR A 115		 MTX A 164 ( 3.7A)
MTX A 164 (-3.3A)
MTX A 164 (-4.0A)
MTX A 164 (-4.1A)
NDP A 163 (-3.4A)
MTX A 164 (-4.1A)
MTX A 164 ( 4.4A)
MTX A 164 ( 4.2A)
None
MTX A 164 (-4.3A)
 0.44A 4pstA-3ia4A:
undetectable		 4pstA-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PST_A_FOLA201_0 4h96 DIHYDROFOLATE
REDUCTASE

Candida albicans 		ALA A 11
MET A 25
PHE A 36
LYS A 37
THR A 58
ILE A 62
LEU A 69
ILE A 112
TYR A 118
THR A 133		 14Q A 202 ( 3.7A)
NDP A 201 (-3.9A)
14Q A 202 (-4.0A)
None
NDP A 201 (-3.7A)
14Q A 202 ( 4.8A)
None
14Q A 202 ( 4.2A)
None
14Q A 202 ( 4.6A)
 0.83A 4pstA-4h96A:
undetectable		 4pstA-4h96A:
32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PST_A_FOLA201_0 4p68 DIHYDROFOLATE
REDUCTASE

Escherichia coli 		ALA A 7
MET A 20
TRP A 30
PHE A 31
LYS A 32
THR A 46
ILE A 50
ILE A 94
TYR A 100
THR A 113		 MTX A 201 ( 4.0A)
MTX A 201 ( 3.6A)
None
MTX A 201 (-4.1A)
MTX A 201 ( 3.9A)
NAP A 202 (-3.2A)
MTX A 201 (-4.7A)
MTX A 201 ( 4.3A)
None
MTX A 201 ( 4.5A)
 0.46A 4pstA-4p68A:
undetectable		 4pstA-4p68A:
98.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FCT_A_C2FA402_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
TYR A 259
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 ( 4.3A)
CB3 A2351 (-3.4A)
 0.59A 5fctA-2aazA:
undetectable		 5fctA-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FQD_E_LVYE1438_1 5hxb EUKARYOTIC PEPTIDE
CHAIN RELEASE
FACTOR GTP-BINDING
SUBUNIT ERF3A
PROTEIN CEREBLON

Homo sapiens 		ASN Z 351
PRO Z 352
HIS Z 353
GLU Z 377
HIS Z 378
SER Z 379
TRP Z 380
TRP Z 386
PHE Z 402
GLY X 575		 85C Z 502 (-3.6A)
85C Z 502 (-4.4A)
85C Z 502 (-3.9A)
85C Z 502 (-3.2A)
85C Z 502 (-3.8A)
85C Z 502 (-3.2A)
85C Z 502 (-3.2A)
85C Z 502 (-3.4A)
None
85C Z 502 (-3.7A)
 0.59A 5fqdE-5hxbZ:
51.4
5fqdF-5hxbZ:
undetectable		 5fqdE-5hxbZ:
99.26
5fqdF-5hxbZ:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FQD_E_LVYE1438_1 5hxb EUKARYOTIC PEPTIDE
CHAIN RELEASE
FACTOR GTP-BINDING
SUBUNIT ERF3A
PROTEIN CEREBLON

Homo sapiens 		ASN Z 351
PRO Z 352
HIS Z 353
HIS Z 378
SER Z 379
TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
GLY X 575		 85C Z 502 (-3.6A)
85C Z 502 (-4.4A)
85C Z 502 (-3.9A)
85C Z 502 (-3.8A)
85C Z 502 (-3.2A)
85C Z 502 (-3.2A)
85C Z 502 (-3.4A)
85C Z 502 (-3.7A)
None
85C Z 502 (-3.7A)
 0.39A 5fqdE-5hxbZ:
51.4
5fqdF-5hxbZ:
undetectable		 5fqdE-5hxbZ:
99.26
5fqdF-5hxbZ:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6H0G_B_Y70B502_0 5hxb EUKARYOTIC PEPTIDE
CHAIN RELEASE
FACTOR GTP-BINDING
SUBUNIT ERF3A
PROTEIN CEREBLON

Homo sapiens;
Homo sapiens 		ASN Z 351
PRO Z 352
HIS Z 353
GLU Z 377
HIS Z 378
TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
GLY X 575		 85C Z 502 (-3.6A)
85C Z 502 (-4.4A)
85C Z 502 (-3.9A)
85C Z 502 (-3.2A)
85C Z 502 (-3.8A)
85C Z 502 (-3.2A)
85C Z 502 (-3.4A)
85C Z 502 (-3.7A)
None
85C Z 502 (-3.7A)
 0.60A 6h0gB-5hxbZ:
51.9
6h0gC-5hxbZ:
undetectable		 6h0gB-5hxbZ:
62.90
6h0gC-5hxbZ:
10.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_B_FFOB403_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
UMP A 350 ( 3.2A)
CB3 A2351 (-3.4A)
 0.54A 6r2eB-2aazA:
undetectable		 6r2eB-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_C_FFOC404_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
UMP A 350 ( 3.2A)
CB3 A2351 (-3.4A)
 0.57A 6r2eC-2aazA:
undetectable		 6r2eC-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_D_FFOD403_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
UMP A 350 ( 3.2A)
CB3 A2351 (-3.4A)
 0.51A 6r2eD-2aazA:
undetectable		 6r2eD-2aazA:
56.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_F_FFOF403_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
UMP A 350 ( 3.2A)
CB3 A2351 (-3.4A)
 0.49A 6r2eF-2aazA:
undetectable		 6r2eF-2aazA:
56.34