SIMILAR PATTERNS OF AMINO ACIDS FOR 4LDO_A_ALEA1402_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1a5f MONOCLONAL
ANTI-E-SELECTIN 7A9
ANTIBODY (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 170
VAL H 188
SER H 186
ASN H 200
ASN H 162
 None
 1.48A 4ldoA-1a5fH:
undetectable		 4ldoA-1a5fH:
18.34
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.
1c1e CATALYTIC ANTIBODY
1E9 (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 171
VAL H 191
SER H 189
ASN H 209
ASN H 162
 None
 1.46A 4ldoA-1c1eH:
0.0		 4ldoA-1c1eH:
20.04
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.
1cl7 PROTEIN (IGG1
ANTIBODY 1696
(CONSTANT HEAVY
CHAIN))

(Mus musculus) 		PF07654
(C1-set) 		5 VAL I 170
VAL I 188
SER I 186
ASN I 203
ASN I 162
 None
 1.43A 4ldoA-1cl7I:
undetectable		 4ldoA-1cl7I:
10.65
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.
1clz IGG FAB (IGG3,
KAPPA)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 171
VAL H 191
SER H 189
ASN H 209
ASN H 162
 None
 1.50A 4ldoA-1clzH:
0.0		 4ldoA-1clzH:
18.41
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.
1fsk ANTIBODY HEAVY CHAIN
FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL C 168
VAL C 186
SER C 184
ASN C 201
ASN C 160
 None
 1.43A 4ldoA-1fskC:
undetectable		 4ldoA-1fskC:
18.40
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.
1h3p ANTIBODY FAB
FRAGMENT

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 164
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.44A 4ldoA-1h3pH:
undetectable		 4ldoA-1h3pH:
18.06
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.
1jnh MONOCLONAL
ANTI-ESTRADIOL
10G6D6 FAB HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL B 168
VAL B 186
SER B 184
ASN B 201
ASN B 160
 None
 1.44A 4ldoA-1jnhB:
0.0		 4ldoA-1jnhB:
19.10
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.
1kfa MONOCLONAL ANTIBODY
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 176
VAL H 194
SER H 192
ASN H 209
ASN H 168
 None
 1.48A 4ldoA-1kfaH:
undetectable		 4ldoA-1kfaH:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ngq N1G9 (IGG1-LAMBDA)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 170
VAL H 188
SER H 186
ASN H 203
ASN H 162
 None
 1.49A 4ldoA-1ngqH:
undetectable		 4ldoA-1ngqH:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj9 IMMUNOGLOBULIN HEAVY
CHAIN

(Mus musculus) 		no annotation 5 VAL H 162
VAL H 180
SER H 178
ASN H 195
ASN H 154
 None
 1.49A 4ldoA-1nj9H:
undetectable		 4ldoA-1nj9H:
19.06
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.
1qx6 NPQTN SPECIFIC
SORTASE B

(Staphylococcus
aureus) 		PF04203
(Sortase) 		5 VAL A 235
VAL A 237
SER A 171
PHE A 195
ASN A 124
 None
 1.50A 4ldoA-1qx6A:
undetectable		 4ldoA-1qx6A:
17.91
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.
1rur IMMUNOGLOBULIN 13G5,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 171
VAL H 191
SER H 189
ASN H 209
ASN H 162
 None
 1.49A 4ldoA-1rurH:
undetectable		 4ldoA-1rurH:
18.92
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.
2fl5 IMMUNOGLOBULIN IGG1
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 VAL H 171
VAL H 191
SER H 189
ASN H 209
ASN H 162
 None
 1.44A 4ldoA-2fl5H:
undetectable		 4ldoA-2fl5H:
20.39
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.
2op4 MURINE ANTIBODY FAB
RS2-1G9 IGG1 HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 171
VAL H 191
SER H 189
ASN H 209
ASN H 162
 None
 1.47A 4ldoA-2op4H:
undetectable		 4ldoA-2op4H:
18.49
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.
2w9d ICSM 18-ANTI-PRP
THERAPEUTIC FAB
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 165
VAL H 183
SER H 181
ASN H 198
ASN H 157
 None
 1.48A 4ldoA-2w9dH:
undetectable		 4ldoA-2w9dH:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wq9 RETINOL-BINDING
PROTEIN 4

(Homo sapiens) 		PF00061
(Lipocalin) 		5 ASP A 108
VAL A 107
VAL A 116
SER A 134
TYR A 114
 GOL  A1180 (-3.5A)
GOL  A1180 (-4.7A)
None
None
None
 1.41A 4ldoA-2wq9A:
undetectable		 4ldoA-2wq9A:
17.63
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.
2xhf PEROXIREDOXIN 5

(Alvinella
pompejana) 		PF08534
(Redoxin) 		5 VAL A  75
VAL A  79
SER A 148
ASN A 154
ASN A 110
 None
 1.24A 4ldoA-2xhfA:
undetectable		 4ldoA-2xhfA:
16.22
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		5 ASP A 238
VAL A 240
VAL A 264
SER A 109
SER A 276
 PLP  A 450 (-2.9A)
PLP  A 450 (-4.3A)
None
PLP  A 450 (-3.8A)
None
 1.45A 4ldoA-2zukA:
undetectable		 4ldoA-2zukA:
21.33
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.
3cvh 25-D1.16 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 170
VAL H 188
SER H 186
ASN H 203
ASN H 162
 None
 1.49A 4ldoA-3cvhH:
undetectable		 4ldoA-3cvhH:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g04 HUMAN THYROID
STIMULATING
AUTOANTIBODY M22
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL B 163
VAL B 182
SER B 180
ASN B 197
ASN B 155
 None
 1.49A 4ldoA-3g04B:
undetectable		 4ldoA-3g04B:
18.42
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.
3i2c CNTO4088 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 170
VAL H 188
SER H 186
ASN H 203
ASN H 162
 None
 1.50A 4ldoA-3i2cH:
undetectable		 4ldoA-3i2cH:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mlx HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 3074 FAB
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.46A 4ldoA-3mlxH:
undetectable		 4ldoA-3mlxH:
16.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 110
VAL A 111
SER A 192
PHE A 345
TYR A 373
 ETQ  A1200 (-3.5A)
ETQ  A1200 (-3.4A)
ETQ  A1200 (-3.3A)
ETQ  A1200 (-4.4A)
ETQ  A1200 (-4.4A)
 0.84A 4ldoA-3pblA:
26.8		 4ldoA-3pblA:
31.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 ASP A 110
VAL A 111
SER A 196
PHE A 345
TYR A 373
 ETQ  A1200 (-3.5A)
ETQ  A1200 (-3.4A)
ETQ  A1200 ( 4.6A)
ETQ  A1200 (-4.4A)
ETQ  A1200 (-4.4A)
 0.53A 4ldoA-3pblA:
26.8		 4ldoA-3pblA:
31.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 ASP A 113
VAL A 114
SER A 207
PHE A 289
ASN A 312
TYR A 316
 ERC  A1201 (-3.7A)
ERC  A1201 (-3.8A)
ERC  A1201 (-2.7A)
ERC  A1201 (-4.5A)
ERC  A1201 (-3.0A)
None
 1.08A 4ldoA-3pdsA:
32.8		 4ldoA-3pdsA:
58.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		8 ASP A 113
VAL A 114
VAL A 117
PHE A 193
SER A 203
PHE A 289
ASN A 312
TYR A 316
 ERC  A1201 (-3.7A)
ERC  A1201 (-3.8A)
None
ERC  A1201 (-4.4A)
ERC  A1201 (-2.8A)
ERC  A1201 (-4.5A)
ERC  A1201 (-3.0A)
None
 0.74A 4ldoA-3pdsA:
32.8		 4ldoA-3pdsA:
58.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		9 ASP A 113
VAL A 114
VAL A 117
PHE A 193
SER A 203
SER A 207
PHE A 289
ASN A 293
ASN A 312
 ERC  A1201 (-3.7A)
ERC  A1201 (-3.8A)
None
ERC  A1201 (-4.4A)
ERC  A1201 (-2.8A)
ERC  A1201 (-2.7A)
ERC  A1201 (-4.5A)
ERC  A1201 (-3.5A)
ERC  A1201 (-3.0A)
 0.80A 4ldoA-3pdsA:
32.8		 4ldoA-3pdsA:
58.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A 117
SER A 204
PHE A 289
ASN A 312
TYR A 316
 None
ERC  A1201 ( 4.1A)
ERC  A1201 (-4.5A)
ERC  A1201 (-3.0A)
None
 1.04A 4ldoA-3pdsA:
32.8		 4ldoA-3pdsA:
58.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 VAL A 117
SER A 204
SER A 207
PHE A 289
ASN A 293
ASN A 312
 None
ERC  A1201 ( 4.1A)
ERC  A1201 (-2.7A)
ERC  A1201 (-4.5A)
ERC  A1201 (-3.5A)
ERC  A1201 (-3.0A)
 1.42A 4ldoA-3pdsA:
32.8		 4ldoA-3pdsA:
58.05
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.
3q6g HEAVY CHAIN OF FAB
OF RHESUS MAB 2.5B

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.48A 4ldoA-3q6gH:
undetectable		 4ldoA-3q6gH:
19.54
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.
3qhf HUMAN MONOCLONAL
ANTIBODY DEL2D1,
FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 171
VAL H 191
SER H 189
ASN H 209
ASN H 162
 None
 1.45A 4ldoA-3qhfH:
undetectable		 4ldoA-3qhfH:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uji FAB REGION OF THE
HEAVY CHAIN OF
ANTI-HIV-1 V3
MONOCLONAL ANTIBODY
2558

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.46A 4ldoA-3ujiH:
undetectable		 4ldoA-3ujiH:
18.06
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.
4ag4 MONOCLONAL ANTIBODY
3E3 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 163
VAL H 181
SER H 179
ASN H 196
ASN H 155
 None
 1.49A 4ldoA-4ag4H:
undetectable		 4ldoA-4ag4H:
18.85
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.
4edx HEAVY CHAIN OF FAB
OF MURINE ANTI-NGF

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL B 171
VAL B 191
SER B 189
ASN B 209
ASN B 162
 None
 1.45A 4ldoA-4edxB:
undetectable		 4ldoA-4edxB:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		6 ASP A 113
VAL A 114
PHE A 193
SER A 203
SER A 207
PHE A 261
 CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.5A)
CAU  A 500 (-3.3A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.2A)
 1.05A 4ldoA-4gbrA:
33.2		 4ldoA-4gbrA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		6 ASP A 113
VAL A 114
PHE A 193
SER A 207
PHE A 261
ASN A 265
 CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.5A)
CAU  A 500 (-4.1A)
CAU  A 500 (-4.2A)
CAU  A 500 (-3.4A)
 1.09A 4ldoA-4gbrA:
33.2		 4ldoA-4gbrA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		7 ASP A 113
VAL A 114
VAL A 117
PHE A 193
PHE A 261
ASN A 265
TYR A 288
 CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.5A)
CAU  A 500 (-4.2A)
CAU  A 500 (-3.4A)
CAU  A 500 (-4.6A)
 0.82A 4ldoA-4gbrA:
33.2		 4ldoA-4gbrA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		7 ASP A 113
VAL A 114
VAL A 117
PHE A 193
SER A 203
PHE A 261
TYR A 288
 CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.5A)
CAU  A 500 (-3.3A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
 0.86A 4ldoA-4gbrA:
33.2		 4ldoA-4gbrA:
99.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		7 ASP A 113
VAL A 114
VAL A 117
PHE A 261
ASN A 265
ASN A 284
TYR A 288
 CAU  A 500 (-3.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.2A)
CAU  A 500 (-4.2A)
CAU  A 500 (-3.4A)
CAU  A 500 (-3.3A)
CAU  A 500 (-4.6A)
 0.80A 4ldoA-4gbrA:
33.2		 4ldoA-4gbrA:
99.66
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.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 ASP A 135
VAL A 136
PHE A 340
ASN A 344
TYR A 370
 ERM  A2001 (-3.2A)
ERM  A2001 (-3.8A)
ERM  A2001 (-4.3A)
ERM  A2001 (-4.3A)
ERM  A2001 ( 4.8A)
 0.57A 4ldoA-4ib4A:
28.4		 4ldoA-4ib4A:
27.13
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.
4jo3 MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY R20 HEAVY
CHAIN

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 163
VAL H 182
SER H 180
ASN H 194
ASN H 155
 None
 1.47A 4ldoA-4jo3H:
undetectable		 4ldoA-4jo3H:
19.24
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.
4ktd GE136 HEAVY CHAIN
FAB

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.49A 4ldoA-4ktdH:
undetectable		 4ldoA-4ktdH:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kte GE148 HEAVY CHAIN
FAB

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.50A 4ldoA-4kteH:
undetectable		 4ldoA-4kteH:
17.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 ASP A1113
VAL A1114
VAL A1117
PHE A1193
SER A1203
SER A1207
PHE A1289
ASN A1293
ASN A1312
TYR A1316
 P0G  A1401 (-2.9A)
P0G  A1401 (-3.7A)
P0G  A1401 ( 4.4A)
P0G  A1401 (-3.8A)
P0G  A1401 (-2.9A)
P0G  A1401 (-2.8A)
P0G  A1401 ( 4.7A)
P0G  A1401 (-3.0A)
P0G  A1401 (-2.9A)
None
 0.34A 4ldoA-4ldeA:
52.2		 4ldoA-4ldeA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		7 ASP A1113
VAL A1117
SER A1204
SER A1207
ASN A1293
ASN A1312
TYR A1316
 P0G  A1401 (-2.9A)
P0G  A1401 ( 4.4A)
P0G  A1401 ( 3.7A)
P0G  A1401 (-2.8A)
P0G  A1401 (-3.0A)
P0G  A1401 (-2.9A)
None
 1.12A 4ldoA-4ldeA:
52.2		 4ldoA-4ldeA:
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.
4lvn NIMP.M7 FAB HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL C 170
VAL C 188
SER C 186
ASN C 203
ASN C 162
 None
 1.47A 4ldoA-4lvnC:
undetectable		 4ldoA-4lvnC:
19.17
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.
4mhh H5M9 ANTIBODY, HEAVY
CHAIN (IGG1)

(Mus musculus) 		no annotation 5 VAL H 171
VAL H 191
SER H 189
ASN H 209
ASN H 162
 None
 1.46A 4ldoA-4mhhH:
undetectable		 4ldoA-4mhhH:
19.65
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.
4ot1 SM5-1 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 181
VAL H 200
SER H 198
ASN H 215
ASN H 173
 None
 1.48A 4ldoA-4ot1H:
undetectable		 4ldoA-4ot1H:
18.59
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.
4py8 ANTIBODY 3.1 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL I 168
VAL I 187
SER I 185
ASN I 202
ASN I 160
 None
 1.46A 4ldoA-4py8I:
undetectable		 4ldoA-4py8I:
17.87
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.
4r90 ANTI CD70 LLAMA
GLAMA FAB 27B3 HEAVY
CHAIN

(Lama glama) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 172
VAL H 191
SER H 189
ASN H 206
ASN H 164
 None
 1.48A 4ldoA-4r90H:
undetectable		 4ldoA-4r90H:
18.74
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.
4rfe FAB HEAVY CHAIN OF
ADCC-POTENT
ANTI-HIV-1 ANTIBODY
JR4

(Macaca mulatta) 		no annotation 5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.49A 4ldoA-4rfeH:
undetectable		 4ldoA-4rfeH:
18.78
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.
4rnr PGT130 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL A 163
VAL A 182
SER A 180
ASN A 197
ASN A 155
 None
 1.45A 4ldoA-4rnrA:
undetectable		 4ldoA-4rnrA:
18.32
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.
5cck ANTIBODY 3BC315 FAB
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.46A 4ldoA-5cckH:
undetectable		 4ldoA-5cckH:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dur HEAVY CHAIN OF
ANTIBODY 100F4

(Homo sapiens) 		no annotation 5 VAL H 171
VAL H 190
SER H 188
ASN H 205
ASN H 163
 None
 1.49A 4ldoA-5durH:
undetectable		 4ldoA-5durH:
18.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 5 ASP B 121
VAL B 122
SER B 211
PHE B 306
ASN B 329
 P32  B 400 (-2.2A)
P32  B 400 (-3.5A)
P32  B 400 (-2.7A)
P32  B 400 (-4.1A)
P32  B 400 (-2.9A)
 1.44A 4ldoA-5f8uB:
34.3		 4ldoA-5f8uB:
42.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 8 ASP B 121
VAL B 122
VAL B 125
PHE B 201
SER B 211
SER B 215
PHE B 306
ASN B 310
 P32  B 400 (-2.2A)
P32  B 400 (-3.5A)
P32  B 400 ( 4.7A)
P32  B 400 (-4.0A)
P32  B 400 (-2.7A)
P32  B 400 ( 4.2A)
P32  B 400 (-4.1A)
P32  B 400 (-3.5A)
 1.01A 4ldoA-5f8uB:
34.3		 4ldoA-5f8uB:
42.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 8 ASP B 121
VAL B 122
VAL B 125
SER B 211
PHE B 306
ASN B 310
ASN B 329
TYR B 333
 P32  B 400 (-2.2A)
P32  B 400 (-3.5A)
P32  B 400 ( 4.7A)
P32  B 400 (-2.7A)
P32  B 400 (-4.1A)
P32  B 400 (-3.5A)
P32  B 400 (-2.9A)
P32  B 400 (-4.6A)
 0.76A 4ldoA-5f8uB:
34.3		 4ldoA-5f8uB:
42.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 5 VAL B 125
PHE B 306
ASN B 310
ASN B 329
TYR B 333
 P32  B 400 ( 4.7A)
P32  B 400 (-4.1A)
P32  B 400 (-3.5A)
P32  B 400 (-2.9A)
P32  B 400 (-4.6A)
 1.49A 4ldoA-5f8uB:
34.3		 4ldoA-5f8uB:
42.52
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.
5fuz 645 FAB, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 171
VAL H 190
SER H 188
ASN H 205
ASN H 163
 None
 1.49A 4ldoA-5fuzH:
undetectable		 4ldoA-5fuzH:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihu BOVINE FAB B11 HEAVY
CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 218
VAL H 237
SER H 235
ASN H 251
ASN H 210
 None
 1.46A 4ldoA-5ihuH:
undetectable		 4ldoA-5ihuH:
19.21
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.
5ijv BOVINE FAB E03 HEAVY
CHAIN

(Bos taurus) 		no annotation 5 VAL H 199
VAL H 218
SER H 216
ASN H 232
ASN H 191
 None
 1.48A 4ldoA-5ijvH:
undetectable		 4ldoA-5ijvH:
20.52
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.
5ilt BOVINE FAB A01 HEAVY
CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 216
VAL H 235
SER H 233
ASN H 249
ASN H 208
 None
 1.49A 4ldoA-5iltH:
undetectable		 4ldoA-5iltH:
18.87
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		5 ASP A 238
VAL A 240
VAL A 264
SER A 109
SER A 276
 PLP  A 501 (-2.7A)
PLP  A 501 (-4.2A)
None
PLP  A 501 (-3.7A)
None
 1.49A 4ldoA-5m49A:
undetectable		 4ldoA-5m49A:
21.44
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.
5myx FAB C#24 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL B 165
VAL B 183
SER B 181
ASN B 198
ASN B 157
 None
 1.49A 4ldoA-5myxB:
undetectable		 4ldoA-5myxB:
18.74
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.
5t4z ANTIBODY DH501 FAB
HEAVY CHAIN

(Macaca mulatta) 		no annotation 5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.50A 4ldoA-5t4zH:
undetectable		 4ldoA-5t4zH:
19.44
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.
5u2o J30 CCH

(Thermobacillus
composti) 		no annotation 5 ASP A 386
VAL A 389
SER A 393
ASN A 430
TYR A 433
 None
 1.01A 4ldoA-5u2oA:
undetectable		 4ldoA-5u2oA:
10.48
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.
5ukp DH522.1 FAB FRAGMENT
HEAVY CHAIN

(Macaca mulatta) 		no annotation 5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.48A 4ldoA-5ukpH:
undetectable		 4ldoA-5ukpH:
12.50
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.
5v6l HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
ANTI-HIV1 GP120 V3
MAB 10A37

(Oryctolagus
cuniculus) 		no annotation 5 VAL H 163
VAL H 182
SER H 180
ASN H 194
ASN H 155
 None
 1.49A 4ldoA-5v6lH:
undetectable		 4ldoA-5v6lH:
9.87
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.
5vta FAB HEAVY CHAIN

(Mus musculus) 		no annotation 5 VAL H 166
VAL H 185
SER H 183
ASN H 200
ASN H 158
 None
 1.48A 4ldoA-5vtaH:
undetectable		 4ldoA-5vtaH:
11.76
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.
5w6g 6649 ANTIBODY HEAVY
CHAIN

(Homo sapiens) 		no annotation 5 VAL H 175
VAL H 194
SER H 192
ASN H 209
ASN H 167
 None
 1.46A 4ldoA-5w6gH:
undetectable		 4ldoA-5w6gH:
9.19
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.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ASP A 115
VAL A 116
SER A 196
PHE A 410
TYR A 438
 AQD  A1201 (-3.3A)
AQD  A1201 ( 3.9A)
AQD  A1201 (-2.8A)
AQD  A1201 (-4.7A)
None
 0.91A 4ldoA-5wivA:
27.3		 4ldoA-5wivA:
27.00
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.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ASP A 115
VAL A 116
SER A 200
PHE A 410
TYR A 438
 AQD  A1201 (-3.3A)
AQD  A1201 ( 3.9A)
AQD  A1201 (-3.6A)
AQD  A1201 (-4.7A)
None
 0.69A 4ldoA-5wivA:
27.3		 4ldoA-5wivA:
27.00
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 5 ASP A 134
SER A 219
PHE A 327
ASN A 331
TYR A 358
 E2J  A1201 (-3.0A)
E2J  A1201 (-3.2A)
E2J  A1201 (-4.6A)
None
None
 0.87A 4ldoA-6bqhA:
27.6		 4ldoA-6bqhA:
13.64
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 ASP A 114
VAL A 115
SER A 197
PHE A 389
TYR A 416
 8NU  A2001 ( 3.0A)
8NU  A2001 ( 3.5A)
8NU  A2001 ( 3.6A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 4.9A)
 0.77A 4ldoA-6cm4A:
26.6		 4ldoA-6cm4A:
10.66
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.
6db6 HUMAN MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY 311-11D FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 5 VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
 None
 1.46A 4ldoA-6db6H:
undetectable		 4ldoA-6db6H:
8.11