SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'A2G'


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.
1E06_B_IPBB600_0
(ODORANT-BINDING
PROTEIN)
2ixb ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Elizabethkingia
meningoseptica)
4 / 4 ILE A 295
MET A 236
VAL A 151
GLY A 175
None
None
A2G  A1446 (-4.9A)
None
1.35A 1e06B-2ixbA:
undetectable
1e06B-2ixbA:
18.69
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.
1HRK_B_CHDB2503_0
(FERROCHELATASE)
5veb CADHERIN-6
(Homo
sapiens)
4 / 4 LEU X 566
PRO X 567
LEU X 527
ARG X 552
None
A2G  X2002 ( 4.9A)
None
None
1.41A 1hrkB-5vebX:
undetectable
1hrkB-5vebX:
15.26
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.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)
1lu2 LECTIN
(Vigna
unguiculata)
4 / 7 HIS A 138
LEU A 127
SER A 128
ASP A 133
MN  A 302 (-3.7A)
A2G  A 254 ( 4.6A)
None
CA  A 301 ( 3.0A)
1.29A 1ismB-1lu2A:
undetectable
1ismB-1lu2A:
20.40
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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae)
4 / 7 ARG A 207
ASN A 106
PHE A 155
TRP A 280
A2G  A1428 (-3.3A)
A2G  A1428 (-3.8A)
GAL  A1429 ( 4.5A)
GAL  A1429 ( 3.6A)
1.09A 1tdnA-2w7yA:
undetectable
1tdnA-2w7yA:
22.31
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.
2FCN_B_DVAB35_0
(UBIQUITIN)
1lu2 LECTIN
(Vigna
unguiculata)
4 / 6 LEU A 214
GLU A 220
ILE A 219
PRO A  42
A2G  A 254 (-4.1A)
None
None
None
0.90A 2fcnA-1lu2A:
undetectable
2fcnB-1lu2A:
0.0
2fcnA-1lu2A:
14.68
2fcnB-1lu2A:
14.68
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.
2HRC_B_CHDB1604_0
(FERROCHELATASE)
5veb CADHERIN-6
(Homo
sapiens)
4 / 4 LEU X 566
PRO X 567
LEU X 527
ARG X 552
None
A2G  X2002 ( 4.9A)
None
None
1.40A 2hrcB-5vebX:
undetectable
2hrcB-5vebX:
15.26
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.
2QEI_A_CXXA802_1
(TRANSPORTER)
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae)
4 / 6 ARG A 207
PHE A 209
ILE A 398
PHE A 237
A2G  A1428 (-3.3A)
None
None
None
1.21A 2qeiA-2w7yA:
undetectable
2qeiA-2w7yA:
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.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo
sapiens)
5 / 11 VAL A 134
GLY A 136
ILE A 138
SER A 146
SER A 148
None
ANP  A 461 (-3.6A)
None
ANP  A 461 (-2.7A)
A2G  A 459 (-3.3A)
1.30A 3bjwE-2a2dA:
undetectable
3bjwE-2a2dA:
15.06
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.
3DH0_A_SAMA220_0
(SAM DEPENDENT
METHYLTRANSFERASE)
2e7t BASIC AGGLUTININ
(Psophocarpus
tetragonolobus)
5 / 12 GLY A  88
ALA A  86
PHE A 126
THR A 125
LEU A 154
None
A2G  A 400 ( 4.3A)
A2G  A 400 ( 3.8A)
None
None
0.67A 3dh0A-2e7tA:
undetectable
3dh0A-2e7tA:
22.56
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.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)
5xg5 MITSUBA-1
(synthetic
construct)
4 / 8 HIS A 133
ARG A 135
ALA A  10
PRO A 113
A2G  A 203 (-4.0A)
None
None
None
1.00A 3fxrA-5xg5A:
undetectable
3fxrA-5xg5A:
15.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_A_1GNA998_1
(GALECTIN-7)
3ayd GALECTIN-3
(Homo
sapiens)
6 / 6 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
0.22A 3galA-3aydA:
22.4
3galA-3aydA:
35.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GAL_B_1GNB999_1
(GALECTIN-7)
3ayd GALECTIN-3
(Homo
sapiens)
6 / 6 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
0.34A 3galB-3aydA:
22.7
3galB-3aydA:
35.25
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.
3IB0_A_DIFA701_1
(LACTOTRANSFERRIN)
2e7t BASIC AGGLUTININ
(Psophocarpus
tetragonolobus)
4 / 4 PRO A 112
TYR A 106
GLY A 101
THR A 100
None
A2G  A 400 ( 4.7A)
None
None
0.92A 3ib0A-2e7tA:
undetectable
3ib0A-2e7tA:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae)
5 / 12 GLY A 105
GLU A 203
ALA A 260
GLY A 202
ASN A 277
A2G  A1428 (-3.8A)
A2G  A1428 (-2.7A)
A2G  A1428 (-3.4A)
None
A2G  A1428 ( 2.9A)
1.30A 3jzjA-2w7yA:
29.0
3jzjA-2w7yA:
30.07
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.
3K4V_B_ROCB201_4
(HIV-1 PROTEASE)
2e7t BASIC AGGLUTININ
(Psophocarpus
tetragonolobus)
4 / 4 ARG A  77
ASP A 124
GLY A 104
THR A  34
None
CA  A 303 ( 2.3A)
A2G  A 400 (-3.5A)
None
1.05A 3k4vB-2e7tA:
undetectable
3k4vB-2e7tA:
16.53
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)
5xg5 MITSUBA-1
(synthetic
construct)
3 / 3 HIS A  37
HIS A  16
MET A  40
A2G  A 201 (-4.0A)
A2G  A 201 (-3.7A)
None
0.89A 3mihA-5xg5A:
undetectable
3mihA-5xg5A:
17.14
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)
5xg5 MITSUBA-1
(synthetic
construct)
3 / 3 HIS A  85
HIS A  64
MET A  88
A2G  A 202 (-4.0A)
A2G  A 202 (-3.7A)
None
0.89A 3mihA-5xg5A:
undetectable
3mihA-5xg5A:
17.14
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)
5xg5 MITSUBA-1
(synthetic
construct)
3 / 3 HIS A 133
HIS A 112
MET A 136
A2G  A 203 (-4.0A)
A2G  A 203 (-3.7A)
None
0.89A 3mihA-5xg5A:
undetectable
3mihA-5xg5A:
17.14
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.
3TJ7_A_ACTA609_0
(GBAA_1210 PROTEIN)
5xg5 MITSUBA-1
(synthetic
construct)
3 / 3 LYS A  66
VAL A  79
HIS A  81
A2G  A 202 (-4.7A)
None
A2G  A 202 (-3.9A)
1.21A 3tj7A-5xg5A:
undetectable
3tj7A-5xg5A:
19.70
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)
5jpn COMPLEMENT C4-A
(Homo
sapiens)
4 / 7 ALA B1268
ALA B1221
ALA B1190
LEU B1217
None
A2G  B1508 (-4.5A)
None
None
0.90A 4du2A-5jpnB:
undetectable
4du2A-5jpnB:
21.11
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.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)
5jpn COMPLEMENT C4-A
(Homo
sapiens)
4 / 7 ALA B1268
ALA B1221
ALA B1190
LEU B1217
None
A2G  B1508 (-4.5A)
None
None
0.85A 4du2B-5jpnB:
undetectable
4du2B-5jpnB:
21.11
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.
4E7B_C_ACTC513_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
1jlx AGGLUTININ
(Amaranthus
caudatus)
3 / 3 TYR A  76
HIS A 119
ARG A  70
A2G  A 305 ( 3.4A)
None
None
0.74A 4e7bC-1jlxA:
0.0
4e7bC-1jlxA:
22.57
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)
5xg5 MITSUBA-1
(synthetic
construct)
4 / 7 HIS A  33
ASP A  35
HIS A  16
PRO A  17
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-3.7A)
None
1.06A 4hvrA-5xg5A:
undetectable
4hvrA-5xg5A:
20.32
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)
5xg5 MITSUBA-1
(synthetic
construct)
4 / 7 HIS A  81
ASP A  83
HIS A  64
PRO A  65
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-3.7A)
None
1.10A 4hvrA-5xg5A:
undetectable
4hvrA-5xg5A:
20.32
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)
5xg5 MITSUBA-1
(synthetic
construct)
4 / 7 HIS A 129
ASP A 131
HIS A 112
PRO A 113
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-3.7A)
None
1.05A 4hvrA-5xg5A:
undetectable
4hvrA-5xg5A:
20.32
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.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo
sapiens)
5 / 12 GLU A  49
ASN A  45
LEU A 144
ILE A 138
LEU A 150
A2G  A 459 (-3.5A)
None
None
None
ANP  A 461 (-4.6A)
1.22A 4k36B-2a2dA:
undetectable
4k36B-2a2dA:
22.90
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.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo
sapiens)
5 / 11 GLU A  49
ASN A  45
LEU A 144
ILE A 138
LEU A 150
A2G  A 459 (-3.5A)
None
None
None
ANP  A 461 (-4.6A)
1.17A 4k37B-2a2dA:
undetectable
4k37B-2a2dA:
21.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q56_A_ACTA201_0
(HELIX ASPERSA
AGGLUTININ (HAA))
4q56 HELIX ASPERSA
AGGLUTININ (HAA)

(Helix
aspersa)
4 / 4 ASN A  62
ARG A  64
HIS A  85
ASN A  86
A2G  A 202 ( 3.8A)
A2G  A 202 ( 3.8A)
ZN  A 210 (-3.2A)
ACT  A 201 (-3.5A)
0.00A 4q56A-4q56A:
22.0
4q56A-4q56A:
100.00
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.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia)
5 / 12 TYR A 220
GLU A 125
ASP A  87
ASP A 127
GLY A 138
A2G  A 555 (-3.2A)
None
A2G  A 555 (-2.9A)
CA  A 500 (-2.2A)
None
1.50A 4qb9E-1fnzA:
0.0
4qb9E-1fnzA:
21.26
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.
4QB9_F_PARF500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)
1fnz BARK AGGLUTININ I,
POLYPEPTIDE A

(Robinia
pseudoacacia)
5 / 11 TYR A 220
GLU A 125
ASP A  87
ASP A 127
GLY A 138
A2G  A 555 (-3.2A)
None
A2G  A 555 (-2.9A)
CA  A 500 (-2.2A)
None
1.48A 4qb9F-1fnzA:
0.0
4qb9F-1fnzA:
21.26
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.
4ZZ8_A_GCSA208_1
(GLUCANASE/CHITOSANAS
E)
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae)
4 / 7 GLU A 203
ASP A 259
ALA A 260
TYR A 263
A2G  A1428 (-2.7A)
None
A2G  A1428 (-3.4A)
None
1.20A 4zz8A-2w7yA:
undetectable
4zz8A-2w7yA:
16.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-4.0A)
0.16A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 9 HIS A  16
GLY A  20
VAL A  31
HIS A  33
ASP A  35
A2G  A 201 (-3.7A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
0.79A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-4.0A)
0.13A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 9 HIS A  64
GLY A  68
VAL A  79
HIS A  81
ASP A  83
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
0.86A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A 112
GLY A 115
GLY A 116
VAL A 127
HIS A 129
ASP A 131
HIS A 133
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-4.0A)
0.14A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 8 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-4.0A)
0.16A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 8 HIS A  16
GLY A  20
VAL A  31
HIS A  33
ASP A  35
A2G  A 201 (-3.7A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
0.85A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 8 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-4.0A)
0.16A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 8 HIS A  64
GLY A  67
VAL A  79
HIS A  81
ASP A  83
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
0.84A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 8 HIS A 112
GLY A 115
GLY A 116
VAL A 127
HIS A 129
ASP A 131
HIS A 133
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-4.0A)
0.14A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-4.0A)
0.15A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-4.0A)
0.12A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A 112
GLY A 115
GLY A 116
VAL A 127
HIS A 129
ASP A 131
HIS A 133
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-4.0A)
0.12A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_A_X6XA203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 9 HIS A 112
GLY A 115
VAL A 127
HIS A 129
ASP A 131
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
0.86A 5f8yA-5xg5A:
27.0
5f8yA-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 8 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-4.0A)
0.21A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 8 HIS A  16
GLY A  19
VAL A  31
HIS A  33
ASP A  35
A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
0.83A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 8 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-4.0A)
0.21A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 8 HIS A  64
GLY A  67
VAL A  79
HIS A  81
ASP A  83
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
0.75A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 8 HIS A 112
GLY A 115
GLY A 116
VAL A 127
HIS A 129
ASP A 131
HIS A 133
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-4.0A)
0.21A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB201_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 8 HIS A 112
GLY A 115
VAL A 127
HIS A 129
ASP A 131
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
0.81A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-4.0A)
0.17A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 9 HIS A  16
GLY A  19
VAL A  31
HIS A  33
ASP A  35
A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
0.83A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-4.0A)
0.16A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A 112
GLY A 115
GLY A 116
VAL A 127
HIS A 129
ASP A 131
HIS A 133
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-4.0A)
0.15A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB202_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 9 HIS A 112
GLY A 115
VAL A 127
HIS A 129
ASP A 131
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
0.82A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A  16
GLY A  19
GLY A  20
VAL A  31
HIS A  33
ASP A  35
HIS A  37
A2G  A 201 (-3.7A)
A2G  A 201 (-3.3A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
A2G  A 201 (-4.0A)
0.22A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 9 HIS A  16
GLY A  20
VAL A  31
HIS A  33
ASP A  35
A2G  A 201 (-3.7A)
A2G  A 201 (-3.1A)
None
A2G  A 201 (-3.7A)
A2G  A 201 (-3.5A)
0.77A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A  64
GLY A  67
GLY A  68
VAL A  79
HIS A  81
ASP A  83
HIS A  85
A2G  A 202 (-3.7A)
A2G  A 202 (-3.3A)
A2G  A 202 (-3.3A)
None
A2G  A 202 (-3.9A)
A2G  A 202 (-3.6A)
A2G  A 202 (-4.0A)
0.14A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
7 / 9 HIS A 112
GLY A 115
GLY A 116
VAL A 127
HIS A 129
ASP A 131
HIS A 133
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
A2G  A 203 (-4.0A)
0.19A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F8Y_B_X6XB203_1
(GALNAC/GAL-SPECIFIC
LECTIN)
5xg5 MITSUBA-1
(synthetic
construct)
5 / 9 HIS A 112
GLY A 116
VAL A 127
HIS A 129
ASP A 131
A2G  A 203 (-3.7A)
A2G  A 203 (-3.2A)
None
A2G  A 203 (-3.8A)
A2G  A 203 (-3.6A)
0.79A 5f8yB-5xg5A:
27.0
5f8yB-5xg5A:
59.09
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.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)
2a2d N-ACETYLGALACTOSAMIN
E KINASE

(Homo
sapiens)
5 / 12 GLU A 185
GLY A 186
GLU A 338
CYH A 377
CYH A 371
None
A2G  A 459 (-3.3A)
None
None
None
1.50A 5fhzD-2a2dA:
undetectable
5fhzD-2a2dA:
24.37
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.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)
2e7t BASIC AGGLUTININ
(Psophocarpus
tetragonolobus)
4 / 7 SER A 214
ASP A 212
TYR A 106
PHE A 126
GAL  A 401 ( 3.1A)
A2G  A 400 (-4.9A)
A2G  A 400 ( 4.7A)
A2G  A 400 ( 3.8A)
1.24A 5l1fC-2e7tA:
undetectable
5l1fC-2e7tA:
15.32
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)
2e7t BASIC AGGLUTININ
(Psophocarpus
tetragonolobus)
5 / 7 GLY A 104
GLY A 211
LEU A  33
THR A  46
ALA A 208
A2G  A 400 (-3.5A)
A2G  A 400 (-3.4A)
None
None
None
1.38A 5o96C-2e7tA:
undetectable
5o96C-2e7tA:
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.
5UUN_A_ACTA304_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae)
4 / 4 ARG A 207
THR A 385
GLY A 105
PHE A 155
A2G  A1428 (-3.3A)
None
A2G  A1428 (-3.8A)
GAL  A1429 ( 4.5A)
1.05A 5uunA-2w7yA:
0.2
5uunA-2w7yA:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B8K_A_W9TA300_0
(GALECTIN-3)
3ayd GALECTIN-3
(Homo
sapiens)
7 / 7 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
0.21A 6b8kA-3aydA:
27.3
6b8kA-3aydA:
93.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_A_W9TA201_0
(GALECTIN-1)
3ayd GALECTIN-3
(Homo
sapiens)
7 / 8 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
0.43A 6b94A-3aydA:
19.4
6b94A-3aydA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B94_B_W9TB201_0
(GALECTIN-1)
3ayd GALECTIN-3
(Homo
sapiens)
7 / 10 HIS A 158
ASN A 160
ARG A 162
ASN A 174
TRP A 181
GLU A 184
ARG A 186
GAL  A 253 (-3.7A)
GAL  A 253 (-4.1A)
A2G  A 252 ( 3.1A)
GAL  A 253 (-3.9A)
GAL  A 253 (-3.5A)
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
0.41A 6b94A-3aydA:
19.4
6b94B-3aydA:
19.1
6b94A-3aydA:
34.78
6b94B-3aydA:
34.78
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.
6FGD_A_ACTA826_0
(GEPHYRIN)
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae)
3 / 3 HIS A 395
ARG A 207
ILE A 206
None
A2G  A1428 (-3.3A)
None
0.78A 6fgdA-2w7yA:
undetectable
6fgdA-2w7yA:
22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)
3ayd GALECTIN-3
(Homo
sapiens)
4 / 4 ARG A 162
GLU A 165
GLU A 184
ARG A 186
A2G  A 252 ( 3.1A)
None
A2G  A 252 (-3.0A)
GAL  A 256 ( 3.8A)
0.31A 6fk2A-3aydA:
27.4
6fk2A-3aydA:
97.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FK2_A_SORA302_0
(GALECTIN-3)
3ayd GALECTIN-3
(Homo
sapiens)
4 / 4 ARG A 186
GLU A 184
GLU A 165
ARG A 162
GAL  A 256 ( 3.8A)
A2G  A 252 (-3.0A)
None
A2G  A 252 ( 3.1A)
0.96A 6fk2A-3aydA:
27.4
6fk2A-3aydA:
97.10
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.
6GNE_B_ACRB602_1
(-)
6ejj WLAC PROTEIN
(Campylobacter
jejuni)
5 / 12 GLU A  18
GLY A  15
GLY A  16
VAL A  20
ASN A 166
A2G  A 406 ( 3.1A)
A2G  A 406 (-3.4A)
UDP  A 401 (-3.0A)
None
None
0.69A 6gneB-6ejjA:
26.6
6gneB-6ejjA:
9.85
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.
6GNE_B_ACRB602_1
(-)
6ejj WLAC PROTEIN
(Campylobacter
jejuni)
5 / 12 GLU A  18
GLY A  16
VAL A  20
ASN A 166
ARG A 191
A2G  A 406 ( 3.1A)
UDP  A 401 (-3.0A)
None
None
UDP  A 401 (-3.5A)
0.93A 6gneB-6ejjA:
26.6
6gneB-6ejjA:
9.85
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.
6GNG_A_QPSA601_2
(-)
6ejj WLAC PROTEIN
(Campylobacter
jejuni)
5 / 12 GLU A  18
GLY A  16
HIS A 118
ARG A 191
GLU A 267
A2G  A 406 ( 3.1A)
UDP  A 401 (-3.0A)
CL  A 404 ( 4.5A)
UDP  A 401 (-3.5A)
NA  A 403 (-3.6A)
1.02A 6gngA-6ejjA:
13.5
6gngA-6ejjA:
9.22
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.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)
1lu2 LECTIN
(Vigna
unguiculata)
5 / 10 ASP A  85
GLY A 102
ASP A 223
THR A 221
SER A 209
A2G  A 254 (-2.7A)
A2G  A 254 (-3.7A)
None
None
None
1.46A 6mn1B-1lu2A:
0.0
6mn1B-1lu2A:
16.16