POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Seq.
Identity (%)		 View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		1bvl HULYS11
(Homo
sapiens;
Mus
musculus)		7 / 12TYR B  36
GLN B  89
PHE B  98
ASN A  35
VAL A  37
ALA A  96
TRP A 106
None
0.67A59.46
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		1wt5 ANTI EGFR ANTIBODY
FV REGION
(Homo
sapiens)		7 / 12TYR C  41
PHE C 103
TRP A  33
VAL A  37
ASN A  50
ALA A  97
TRP A 108
None
0.70A28.40
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN
ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, LIGHT
CHAIN
(Homo
sapiens)		6 / 12TYR L  36
LEU L  96
PHE L  98
VAL H  37
ALA H  97
TRP H 106
None
0.78A29.37
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		2d7t ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, HEAVY
CHAIN
ANTI
POLYHYDROXYBUTYRATE
ANTIBODY FV, LIGHT
CHAIN
(Homo
sapiens)		6 / 12TYR L  36
TYR L  94
LEU L  96
PHE L  98
VAL H  37
TRP H 106
None
0.90A29.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		2f5a PROTEIN (ANTIBODY
2F5 (HEAVY CHAIN))
PROTEIN (ANTIBODY
2F5 (LIGHT CHAIN))
(Homo
sapiens)		6 / 12TYR L  36
GLN L  89
TYR L  94
PHE L  98
ALA H  98
TRP H 122
None
0.65A39.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		2ghw ANTI-SARS SCFV
ANTIBODY, 80R
(Homo
sapiens)		6 / 12TYR B 168
GLN B 221
PHE B 230
VAL B  37
ALA B  97
TRP B 107
None
0.64A34.91
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		3juy 3B3 SINGLE CHAIN
VARIANT HIV-1
ANTIBODY
(Homo
sapiens)		6 / 12TYR B 179
GLN B 232
PHE B 241
VAL B  37
ALA B  97
TRP B 117
None
0.61A29.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		3ntc FAB HEAVY CHAIN
FAB LIGHT CHAIN
(Homo
sapiens;
Mus
musculus)		6 / 12TYR L  36
GLN L  89
TYR L  94
PHE L  98
TRP H  33
TRP H 103
None
None
EDO  H 220 (-4.9A)
None
EDO  H 220 ( 3.9A)
None
0.75A41.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		3qpx FAB C2507 HEAVY
CHAIN
FAB C2507 LIGHT
CHAIN
(Homo
sapiens;
Rattus
norvegicus)		7 / 12TYR L  36
GLN L  89
PHE L  97
TRP H  33
ASN H  35
ALA H  97
TRP H 109
None
None
None
SO4  H 230 (-4.1A)
None
None
None
0.69A40.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		3ux9 SCFV ANTIBODY
(Homo
sapiens)		6 / 12TYR B  39
GLN B  92
PHE B 103
VAL B 171
ALA B 231
TRP B 243
None
0.74A48.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4buh CLONE M0418 SCFV
(Homo
sapiens)		6 / 12TYR A 178
PHE A 242
TRP A  33
VAL A  37
ALA A  97
TRP A 116
None
0.53A33.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4hjj ANTI-IL12 ANTI-IL18
DFAB HEAVY CHAIN
ANTI-IL12 ANTI-IL18
DFAB LIGHT CHAIN
(Homo
sapiens)		7 / 12TYR L 149
GLN L 202
PHE L 212
TRP H 158
VAL H 162
ALA H 222
TRP H 236
None
0.67A36.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4i3r HEAVY CHAIN OF
VRC-PG04 FAB
LIGHT CHAIN OF
VRC-PG04 FAB
(Homo
sapiens)		6 / 12TYR L  36
GLN L  89
PHE L  98
VAL H  37
ALA H  93
TRP H 103
None
0.66A35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4idj FAB HEAVY CHAIN
FAB LIGHT CHAIN
(Homo
sapiens)		7 / 12TYR L  36
GLN L  89
PHE L  98
ASN H  35
VAL H  37
ALA H  93
TRP H 103
None
0.84A40.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4iml CROSSED HEAVY CHAIN
(VH-CKAPPA)
CROSSED LIGHT CHAIN
(VL-CH1)
(Homo
sapiens)		6 / 12TYR L  35
GLN L  88
PHE L  99
VAL H  37
ALA H  97
TRP H 119
None
0.69A33.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4jzn ANTI-HCV E2 FAB
HC84-1 HEAVY CHAIN
ANTI-HCV E2 FAB
HC84-1 LIGHT CHAIN
(Homo
sapiens)		6 / 12TYR B  35
GLN B  88
PHE B  97
VAL A  37
ALA A  97
TRP A 109
None
0.63A34.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4llv 4E10 FV HEAVY CHAIN
4E10 FV LIGHT CHAIN
(Homo
sapiens)		6 / 12TYR B  36
GLN B  89
PHE B  98
VAL A  37
ALA A  93
TRP A 103
None
0.60A30.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4xny HEAVY CHAIN OF
ANTIBODY VRC08C
LIGHT CHAIN OF
ANTIBODY VRC08C
(Homo
sapiens)		6 / 12TYR L  36
GLN L  89
PHE L  98
ASN H  35
VAL H  37
TRP H 103
None
0.82A36.55
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		4z0x ANTIBODY HC26AM
HEAVY CHAIN VARIABLE
DOMAIN
ANTIBODY HC26AM
LIGHT CHAIN VARIABLE
DOMAIN
(Homo
sapiens)		6 / 12TYR A  35
GLN A  88
PHE A  97
VAL B  62
ALA B 122
TRP B 134
None
0.61A26.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5awn HEAVY CHAIN OF
3BC176 FAB
LIGHT CHAIN OF
3BC176 FAB
(Homo
sapiens)		6 / 12TYR L  36
LEU L  96
PHE L  98
VAL H  37
ALA H  93
TRP H 103
None
0.77A34.96
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5b8c PEMBROLIZUMAB HEAVY
CHAIN VARIABLE
REGION (PEMVH)
PEMBROLIZUMAB LIGHT
CHAIN VARIABLE
REGION (PEMVL)
(Homo
sapiens)		7 / 12TYR A  40
GLN A  93
LEU A 100
PHE A 102
VAL B  37
ALA B  97
TRP B 110
None
0.54A29.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5esa ANTI-HCV E2
GLYCOPROTEIN FAB
HEAVY CHAIN
ANTI-HCV E2
GLYCOPROTEIN FAB
LIGHT CHAIN
(Homo
sapiens)		6 / 12TYR B  35
GLN B  88
PHE B  97
VAL A  37
ALA A  97
TRP A 109
None
0.66A33.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5f72 SINGLE CHAIN FV FROM
A FAB
(Homo
sapiens)		6 / 12TYR T 177
GLN T 230
PHE T 239
VAL T  37
ALA T  97
TRP T 111
None
0.74A32.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5fgc ANTI-HCV E2 FAB
HC33.8 HEAVY CHAIN
ANTI-HCV E2 FAB
HC33.8 LIGHT CHAIN
(Homo
sapiens)		6 / 12TYR B  35
GLN B  88
PHE B  98
VAL E  37
ALA E  97
TRP E 117
None
0.80A32.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5fhx ANTIBODY FRAGMENT
HEAVY-CHAIN
ANTIBODY FRAGMENT
LIGHT CHAIN
(Homo
sapiens)		7 / 12TYR L  40
GLN L  93
PHE L 102
ASN H 159
VAL H 161
ALA H 220
TRP H 232
None
0.59A35.21
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5gru DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus)		6 / 12TYR H 170
GLN H 223
PHE H 232
ASN L  36
ALA L  97
TRP L 106
TYR  H 170 ( 1.3A)
GLN  H 223 ( 0.6A)
PHE  H 232 ( 1.3A)
ASN  L  36 ( 0.6A)
ALA  L  97 ( 0.0A)
TRP  L 106 ( 0.5A)
0.74A29.10
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5gru DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus)		6 / 12TYR L 157
GLN L 210
PHE L 219
VAL H  37
ALA H  97
TRP H 119
TYR  L 157 ( 1.3A)
GLN  L 210 ( 0.6A)
PHE  L 219 ( 1.3A)
VAL  H  37 ( 0.6A)
ALA  H  97 ( 0.0A)
TRP  H 119 ( 0.5A)
0.72A26.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5gs2 ANTI-MBP
ANTI-REPEBODY
(Homo
sapiens;
Mus
musculus)		6 / 12TYR D 162
GLN D 215
PHE D 224
VAL H  37
ALA H  97
TRP H 117
None
0.67A39.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5gs2 ANTI-MBP
ANTI-REPEBODY
(Homo
sapiens;
Mus
musculus)		6 / 12TYR H 168
TYR H 226
PHE H 230
VAL D  37
ALA D  97
TRP D 111
None
0.39A76.00
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5j13 ANTI-TSLP
FAB-FRAGMENT, HEAVY
CHAIN
ANTI-TSLP
FAB-FRAGMENT, LIGHT
CHAIN
(Homo
sapiens)		6 / 12TYR B  38
GLN B  91
PHE B 102
VAL C  40
ALA C 100
TRP C 115
None
0.63A29.25
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5ngv ANTI-HUMAN ACTRIIB
MAB BYM338
HEAVY-CHAIN
ANTI-HUMAN ACTRIIB
MAB BYM338
LIGHT-CHAIN
(Homo
sapiens)		6 / 12TYR L  38
PHE L 102
ASN H  35
VAL H  37
ALA H  97
TRP H 105
None
0.56A24.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5u3p DH511.4 FAB HEAVY
CHAIN
DH511.4 FAB LIGHT
CHAIN
(Homo
sapiens)		7 / 12TYR L  36
GLN L  89
LEU L  96
PHE L  98
TRP H  33
VAL H  37
TRP H 103
None
0.96A38.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5u68 MPE8
(Homo
sapiens)		7 / 12TYR E 201
GLN E 254
PHE E 264
ASN E  54
VAL E  56
ALA E 116
TRP E 133
None
0.76A32.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5xcu VH(S112C)-SARAH
CHIMERA,VH(S112C)-SA
RAH CHIMERA
VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA
(Homo
sapiens;
Mus
musculus)		7 / 12TYR B  36
GLN B  89
LEU B  96
PHE B  98
VAL A  37
ALA A  93
TRP A 103
None
0.79A36.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5xcx VH(S112C)-SARAH
CHIMERA
VL-SARAH(S37C)
CHIMERA
(Homo
sapiens;
Mus
musculus)		6 / 12TYR B  36
GLN B  89
LEU B  96
PHE B  98
VAL A  37
TRP A 103
None
0.61A31.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5xj3 IPILIMUMAB-VH
IPILIMUMAB-VL
(Homo
sapiens)		6 / 12TYR B  37
GLN B  90
PHE B  99
VAL A  37
ALA A  97
TRP A 108
None
0.59A30.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		5yax SCFV1 ANTIBODY
(Homo
sapiens)		6 / 12TYR A1042
GLN A1105
PHE A1118
ASN A  40
ALA A 105
TRP A 118
None
0.61A32.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6ehv SCFV ABVANCE:
INCREASING OUR
KNOWLEDGE OF
ANTIBODY STRUCTURAL
SPACE TO ENABLE
FASTER AND BETTER
DECISION MAKING IN
DRUG DISCOVERY
(Homo
sapiens)		6 / 12TYR X 171
GLN X 224
PHE X 234
VAL X  38
ALA X  98
TRP X 109
None
0.62A32.85
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.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6ehx SCFV ABVANCE:
INCREASING OUR
KNOWLEDGE OF
ANTIBODY STRUCTURAL
SPACE TO ENABLE
FASTER AND BETTER
DECISION MAKING IN
DRUG DISCOVERY
(Homo
sapiens)		8 / 12TYR B 172
GLN B 225
TYR B 230
LEU B 232
PHE B 234
VAL B  37
ALA B  97
TRP B 111
None
0.63A29.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6ehy SCFV ANTIBODY
FRAGMENT
(Homo
sapiens)		8 / 12TYR A 174
GLN A 227
TYR A 232
LEU A 234
PHE A 236
VAL A  37
ALA A  97
TRP A 111
None
0.64A30.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		6g8r SHORT-CHAIN VARIABLE
FRAGMENT
(Homo
sapiens)		6 / 12TYR A 170
GLN A 223
PHE A 231
VAL A  37
ALA A  97
TRP A 109
None
0.68A30.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H8S_A_AICA1000_1
(MUTANT AL2 6E7P9G)		8fab IGG1-LAMBDA HIL FAB
(HEAVY CHAIN)
IGG1-LAMBDA HIL FAB
(LIGHT CHAIN)
(Homo
sapiens)		6 / 12TYR A  35
GLN A  88
PHE A  97
VAL B  37
ALA B  97
TRP B 111
None
0.82A32.44
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE
(Homo
sapiens)		4 / 8TYR A 251
TYR A 255
GLU A 250
TYR A 176
None
1.28A20.63
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1
(Homo
sapiens)		4 / 8TYR A 529
GLU A 528
HIS A 521
SER A 193
None
1.34A21.92
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2rkz FIBRONECTIN
(Homo
sapiens)		4 / 8TYR A  75
GLU A  82
HIS A 111
SER A 116
None
1.28A8.49
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)		4 / 8TYR A 542
TYR A 224
GLU A 547
HIS A 367
BIX  A   1 (-4.7A)
None
None
ZN  A1752 ( 3.3A)
1.11A21.34
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3m7p FN1 PROTEIN
(Homo
sapiens)		4 / 8ARG A 592
GLU A 596
HIS A 535
TYR A 366
None
ZN  A 955 ( 3.9A)
ZN  A 954 (-3.2A)
12P  A 189 ( 4.7A)
1.28A17.90
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5wea PROTEIN ARGONAUTE-2
(Homo
sapiens)		4 / 8GLN A 757
HIS A 753
SER A 798
TYR A 804
 A  B   6 ( 3.7A)
A  B   5 ( 4.1A)
A  B   5 ( 4.5A)
A  B   4 ( 4.8A)
0.97A8.03
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5
(Homo
sapiens)		4 / 8ARG B 394
TYR B 421
GLN B 423
TYR B 333
None
1.29A21.35
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ces RAS-RELATED
GTP-BINDING PROTEIN
A
RAS-RELATED
GTP-BINDING PROTEIN
C
(Homo
sapiens)		4 / 8ARG A  34
GLN A 237
HIS C 223
TYR C 216
None
1.06A8.57
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE
(Homo
sapiens)		4 / 8TYR A 251
TYR A 255
GLU A 250
TYR A 176
None
1.27A20.63
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1
(Homo
sapiens)		4 / 8TYR A 529
GLU A 528
HIS A 521
SER A 193
None
1.34A21.92
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2rkz FIBRONECTIN
(Homo
sapiens)		4 / 8TYR A  75
GLU A  82
HIS A 111
SER A 116
None
1.27A8.49
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)		4 / 8TYR A 542
TYR A 224
GLU A 547
HIS A 367
BIX  A   1 (-4.7A)
None
None
ZN  A1752 ( 3.3A)
1.12A21.34
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3m7p FN1 PROTEIN
(Homo
sapiens)		4 / 8ARG A 592
GLU A 596
HIS A 535
TYR A 366
None
ZN  A 955 ( 3.9A)
ZN  A 954 (-3.2A)
12P  A 189 ( 4.7A)
1.27A17.90
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5
(Homo
sapiens)		4 / 8ARG B 394
TYR B 421
GLN B 423
TYR B 333
None
1.31A21.35
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ces RAS-RELATED
GTP-BINDING PROTEIN
A
RAS-RELATED
GTP-BINDING PROTEIN
C
(Homo
sapiens)		4 / 8ARG A  34
GLN A 237
HIS C 223
TYR C 216
None
1.06A8.57
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE
(Homo
sapiens)		4 / 8TYR A 251
TYR A 255
GLU A 250
TYR A 176
None
1.27A20.63
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1
(Homo
sapiens)		4 / 8TYR A 529
GLU A 528
HIS A 521
SER A 193
None
1.34A21.92
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2rkz FIBRONECTIN
(Homo
sapiens)		4 / 8TYR A  75
GLU A  82
HIS A 111
SER A 116
None
1.26A8.49
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)		4 / 8TYR A 542
TYR A 224
GLU A 547
HIS A 367
BIX  A   1 (-4.7A)
None
None
ZN  A1752 ( 3.3A)
1.11A21.34
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3m7p FN1 PROTEIN
(Homo
sapiens)		4 / 8ARG A 592
GLU A 596
HIS A 535
TYR A 366
None
ZN  A 955 ( 3.9A)
ZN  A 954 (-3.2A)
12P  A 189 ( 4.7A)
1.29A17.90
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5wea PROTEIN ARGONAUTE-2
(Homo
sapiens)		4 / 8GLN A 757
HIS A 753
SER A 798
TYR A 804
 A  B   6 ( 3.7A)
A  B   5 ( 4.1A)
A  B   5 ( 4.5A)
A  B   4 ( 4.8A)
0.97A8.03
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5
(Homo
sapiens)		4 / 8ARG B 394
TYR B 421
GLN B 423
TYR B 333
None
1.28A21.35
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ces RAS-RELATED
GTP-BINDING PROTEIN
A
RAS-RELATED
GTP-BINDING PROTEIN
C
(Homo
sapiens)		4 / 8ARG A  34
GLN A 237
HIS C 223
TYR C 216
None
1.05A8.57
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1fsu N-ACETYLGALACTOSAMIN
E-4-SULFATASE
(Homo
sapiens)		4 / 8TYR A 251
TYR A 255
GLU A 250
TYR A 176
None
1.26A20.63
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1
(Homo
sapiens)		4 / 8TYR A 529
GLU A 528
HIS A 521
SER A 193
None
1.33A21.92
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		2rkz FIBRONECTIN
(Homo
sapiens)		4 / 8TYR A  75
GLU A  82
HIS A 111
SER A 116
None
1.26A8.49
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)		4 / 8TYR A 542
TYR A 224
GLU A 547
HIS A 367
BIX  A   1 (-4.7A)
None
None
ZN  A1752 ( 3.3A)
1.13A21.34
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		3m7p FN1 PROTEIN
(Homo
sapiens)		4 / 8ARG A 592
GLU A 596
HIS A 535
TYR A 366
None
ZN  A 955 ( 3.9A)
ZN  A 954 (-3.2A)
12P  A 189 ( 4.7A)
1.29A17.90
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5
(Homo
sapiens)		4 / 8ARG B 394
TYR B 421
GLN B 423
TYR B 333
None
1.29A21.35
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		6ces RAS-RELATED
GTP-BINDING PROTEIN
A
RAS-RELATED
GTP-BINDING PROTEIN
C
(Homo
sapiens)		4 / 8ARG A  34
GLN A 237
HIS C 223
TYR C 216
None
1.06A8.57
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		1ldk CULLIN HOMOLOG
(Homo
sapiens)		4 / 4LYS B 454
ALA B 495
PHE B 498
GLY B 497
None
1.49A16.99
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN
(Homo
sapiens)		4 / 4LYS A 233
ALA A 221
PHE A 198
GLY A 199
None
None
None
NAD  A1377 (-3.5A)
1.00A15.92
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		2cp0 CLIPR-59 PROTEIN
(Homo
sapiens)		4 / 4LYS A  82
ALA A  78
PHE A  77
GLY A  48
None
1.48A7.68
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.
2RDD_A_AICA1110_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		5fn4 GAMMA-SECRETASE
SUBUNIT APH-1A
NICASTRIN
(Homo
sapiens)		4 / 4LYS A 666
ALA C   4
PHE C   7
GLY C   8
None
1.44A21.38
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		1i51 CASPASE-7 SUBUNIT
P11
(Homo
sapiens)		3 / 3PRO B 289
PHE B 273
ALA B 244
None
0.72A14.37
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		2qdj RETINOBLASTOMA-ASSOC
IATED PROTEIN
(Homo
sapiens)		3 / 3PRO A  67
PHE A 115
ALA A 107
None
0.56A22.73
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		3v4p INTEGRIN ALPHA-4
(Homo
sapiens)		3 / 3PRO A 149
PHE A 162
ALA A 204
None
0.61A18.98
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		4elj RETINOBLASTOMA-ASSOC
IATED PROTEIN
(Homo
sapiens)		3 / 3PRO A  67
PHE A 115
ALA A 107
None
0.58A21.29
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		4x90 GROUP XV
PHOSPHOLIPASE A2
(Homo
sapiens)		3 / 3PRO A 319
PHE A 314
ALA A 208
None
0.68A23.15
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE
(Homo
sapiens)		3 / 3PRO A 389
PHE A 402
ALA A 430
None
0.68A18.66
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		4z93 BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)		3 / 3PRO A 458
PHE A 454
ALA A 415
CME  A 356 ( 4.9A)
None
None
0.62A16.92
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5fg6 BROMODOMAIN-CONTAINI
NG PROTEIN 1
(Homo
sapiens)		3 / 3PRO A 583
PHE A 587
ALA A 651
None
5XE  A 705 (-4.4A)
None
0.71A17.97
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5l0v PROTEIN
O-GLUCOSYLTRANSFERAS
E 1
(Homo
sapiens)		3 / 3PRO A 135
PHE A 150
ALA A 275
None
0.70A20.20
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE
(Homo
sapiens)		3 / 3PRO A 336
PHE A 331
ALA A 224
None
0.69A21.90
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.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		5vl3 B-CELL RECEPTOR CD22
(Homo
sapiens)		3 / 3PRO Q 140
PHE Q 165
ALA Q  38
None
0.44A23.76
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.
3KP3_B_AICB2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		1je6 MHC CLASS I
CHAIN-RELATED
PROTEIN
(Homo
sapiens)		5 / 10GLU A  92
LEU A 122
GLN A 161
GLU A  97
ARG A  94
None
1.43A20.45
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		1lw3 MYOTUBULARIN-RELATED
PROTEIN 2
(Homo
sapiens)		3 / 3ALA A 472
ARG A 476
LYS A 156
None
0.96A12.77
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		1tf0 SERUM ALBUMIN
(Homo
sapiens)		3 / 3ALA A 406
ARG A 410
LYS A 414
None
0.60A13.81
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		1zsq MYOTUBULARIN-RELATED
PROTEIN 2
(Homo
sapiens)		3 / 3ALA A 472
ARG A 476
LYS A 156
EDO  A1879 (-4.4A)
None
None
1.02A15.66
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2a8i THREONINE ASPARTASE
1
(Homo
sapiens)		3 / 3ALA A 194
ARG A 198
LYS A 202
None
0.82A16.37
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1
(Homo
sapiens)		3 / 3ALA A 153
ARG A 152
LYS A 138
None
1.06A18.48
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2mnw PROTEIN SHQ1 HOMOLOG
(Homo
sapiens)		3 / 3ALA A  93
ARG A  48
LYS A  39
None
0.96A19.48
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		2xik SERINE/THREONINE
PROTEIN KINASE 25
(Homo
sapiens)		3 / 3ALA A 118
ARG A 122
LYS A 126
None
None
EDO  A1293 (-4.2A)
0.60A21.71
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		4my2 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NORRIN FUSION
PROTEIN
(Escherichia
coli;
Homo
sapiens)		3 / 3ALA A1105
ARG A1107
LYS A1058
None
1.06A18.44
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		4n40 PROTEIN ECT2
(Homo
sapiens)		3 / 3ALA A 227
ARG A 232
LYS A 236
None
1.03A19.06
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		4o27 SERINE/THREONINE-PRO
TEIN KINASE 24
(Homo
sapiens)		3 / 3ALA B 122
ARG B 126
LYS B 130
None
1.02A20.88
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		4r3z AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 1
(Homo
sapiens)		3 / 3ALA A   6
ARG A  10
LYS A  14
None
1.06A21.92
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		4xrs HOMEOBOX PROTEIN
DLX-3
(Homo
sapiens)		3 / 3ALA G 142
ARG G 146
LYS G 150
None
1.01A14.29
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		5anc RIBOSOME MATURATION
PROTEIN SBDS
(Homo
sapiens)		3 / 3ALA J  23
ARG J  22
LYS J  90
None
0.81A22.18
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		5c16 MYOTUBULARIN-RELATED
PROTEIN 1
(Homo
sapiens)		3 / 3ALA A 493
ARG A 497
LYS A 177
None
1.03A13.49
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		5iud DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT
(Homo
sapiens)		3 / 3ALA A1221
ARG A1222
LYS A1054
None
1.05A12.50
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2
(Homo
sapiens)		5 / 11LEU A 351
ASN A 158
ARG A 160
LEU A 253
LEU A 257
None
None
None
CSO  A 287 ( 3.7A)
None
1.36A22.91
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2b4x ANTITHROMBIN-III
(Homo
sapiens)		5 / 11THR I  90
LEU I 215
ASN I 217
LEU I 335
LEU I 102
None
1.33A22.15
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)		5 / 11GLY A 365
LEU A 336
SER A 369
LEU A 399
LEU A 360
None
1.05A22.85
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)		5 / 11GLY A 365
LEU A 399
ARG A 372
SER A 369
LEU A 393
None
1.30A22.85
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE
(Homo
sapiens)		5 / 11GLY A 669
GLU A 616
LEU A 673
LEU A 671
LEU A 615
None
1.04A23.08
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 11GLY A 717
LEU A 689
ARG A 694
LEU A 698
LEU A 685
None
EDO  A1755 ( 4.8A)
None
None
None
1.35A19.58
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3ifq PLAKOGLOBIN
(Homo
sapiens)		5 / 11GLY A 358
LEU A 393
ASN A 425
SER A 391
LEU A 376
None
1.18A21.23
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3v6a APOPTOSIS INHIBITOR
5
(Homo
sapiens)		5 / 11GLY A 209
LEU A 216
LEU A 248
LEU A 198
LEU A 204
None
1.37A22.04
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 11THR A 957
LEU A 992
ASN A 792
SER A 990
LEU A 970
None
1.40A23.72
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1
(Homo
sapiens)		5 / 11GLY A 408
ARG A 374
LEU A 346
LEU A 401
LEU A 402
None
1.32A22.32
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4nef AQUAPORIN-2
(Homo
sapiens)		5 / 11GLY A 211
ASN A 220
LEU A 143
LEU A 217
LEU A 214
None
1.40A22.51
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4obs ALPHA-L-IDURONIDASE
(Homo
sapiens)		5 / 11LEU A 566
ARG A 597
LEU A 604
LEU A 564
LEU A 557
None
None
None
None
GOL  A 910 ( 4.8A)
1.41A21.21
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4um8 INTEGRIN ALPHA-V
(Homo
sapiens)		5 / 11GLY A 158
SER A  97
LEU A 106
LEU A 170
LEU A 171
None
1.26A23.03
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5e6s INTEGRIN BETA-2
(Homo
sapiens)		5 / 11GLY B 142
LEU B 107
LEU B 188
LEU B 131
LEU B 132
None
1.36A20.77
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE
(Homo
sapiens)		5 / 11GLY A 104
ASN A  34
LEU A  27
LEU A 160
LEU A 163
None
1.38A23.18
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		1fs2 SKP2
(Homo
sapiens)		5 / 11LEU A 300
LEU A 327
LEU A 302
SER A 332
LEU A 314
None
1.16A19.74
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		1z5v TUBULIN GAMMA-1
CHAIN
(Homo
sapiens)		5 / 11LEU A 153
GLY A 146
LEU A  67
ASN A  15
LEU A  69
None
GSP  A2466 (-4.0A)
None
None
None
1.16A19.39
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2b4x ANTITHROMBIN-III
(Homo
sapiens)		5 / 11LEU I 102
THR I  90
LEU I 215
ASN I 217
LEU I 335
None
1.32A22.15
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)		5 / 11LEU A 360
GLY A 365
LEU A 336
SER A 369
LEU A 399
None
1.05A22.85
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)		5 / 11LEU A 393
GLY A 365
LEU A 399
ARG A 372
SER A 369
None
1.31A22.85
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE
(Homo
sapiens)		5 / 11LEU A 615
GLY A 669
GLU A 616
LEU A 673
LEU A 671
None
0.99A23.08
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 11LEU A 685
GLY A 717
LEU A 689
ARG A 694
LEU A 698
None
None
EDO  A1755 ( 4.8A)
None
None
1.37A19.58
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3ifq PLAKOGLOBIN
(Homo
sapiens)		5 / 11LEU A 376
GLY A 358
LEU A 393
ASN A 425
SER A 391
None
1.18A21.23
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 11LEU A 970
THR A 957
LEU A 992
ASN A 792
SER A 990
None
1.39A23.72
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4nef AQUAPORIN-2
(Homo
sapiens)		5 / 11LEU A 217
LEU A 214
GLY A 211
ASN A 220
LEU A 143
None
1.38A22.51
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A
(Homo
sapiens)		5 / 11LEU A 723
GLY A 726
LEU A 713
ASN A 757
LEU A 730
None
None
None
None
SAH  A1004 ( 4.9A)
1.35A22.93
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4um8 INTEGRIN ALPHA-V
(Homo
sapiens)		5 / 11LEU A 170
LEU A 171
GLY A 158
SER A  97
LEU A 106
None
1.20A23.03
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5e6s INTEGRIN BETA-2
(Homo
sapiens)		5 / 11LEU B 131
LEU B 132
GLY B 142
LEU B 107
LEU B 188
None
1.37A20.77
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 2
(Homo
sapiens)		5 / 11LEU A2309
LEU B 360
GLU A2310
ASN A2130
LEU B 378
None
1.38A21.96
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5neu INTEGRIN ALPHA-V
(Homo
sapiens)		5 / 11LEU A 170
LEU A 171
GLY A 158
SER A  97
LEU A 106
None
1.27A23.01
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2
(Homo
sapiens)		5 / 11LEU A 351
ASN A 158
ARG A 160
LEU A 253
LEU A 257
None
None
None
CSO  A 287 ( 3.7A)
None
1.37A22.91
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)		5 / 11GLY A 365
LEU A 336
SER A 369
LEU A 399
LEU A 360
None
1.04A22.85
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)		5 / 11GLY A 365
LEU A 399
ARG A 372
SER A 369
LEU A 393
None
1.30A22.85
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE
(Homo
sapiens)		5 / 11GLY A 669
GLU A 616
LEU A 673
LEU A 671
LEU A 615
None
1.01A23.08
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 11GLY A 717
LEU A 689
ARG A 694
LEU A 698
LEU A 685
None
EDO  A1755 ( 4.8A)
None
None
None
1.35A19.58
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3ifq PLAKOGLOBIN
(Homo
sapiens)		5 / 11GLY A 358
LEU A 393
ASN A 425
SER A 391
LEU A 376
None
1.16A21.23
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3lq9 DNA-DAMAGE-INDUCIBLE
TRANSCRIPT 4 PROTEIN
(Homo
sapiens)		5 / 11GLY A 161
LEU A 100
SER A 103
LEU A 163
LEU A 177
None
1.39A16.90
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 11THR A 957
LEU A 992
ASN A 792
SER A 990
LEU A 970
None
1.39A23.72
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1
(Homo
sapiens)		5 / 11GLY A 408
ARG A 374
LEU A 346
LEU A 401
LEU A 402
None
1.35A22.32
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4nef AQUAPORIN-2
(Homo
sapiens)		5 / 11GLY A 211
ASN A 220
LEU A 143
LEU A 217
LEU A 214
None
1.39A22.51
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A
(Homo
sapiens)		5 / 11GLY A 726
LEU A 713
ASN A 757
LEU A 730
LEU A 723
None
None
None
SAH  A1004 ( 4.9A)
None
1.34A22.93
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4um8 INTEGRIN ALPHA-V
(Homo
sapiens)		5 / 11GLY A 158
SER A  97
LEU A 106
LEU A 170
LEU A 171
None
1.22A23.03
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5e6s INTEGRIN BETA-2
(Homo
sapiens)		5 / 11GLY B 142
LEU B 107
LEU B 188
LEU B 131
LEU B 132
None
1.38A20.77
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5neu INTEGRIN ALPHA-V
(Homo
sapiens)		5 / 11GLY A 158
SER A  97
LEU A 106
LEU A 170
LEU A 171
None
1.31A23.01
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		1g55 DNA CYTOSINE
METHYLTRANSFERASE
DNMT2
(Homo
sapiens)		5 / 11LEU A 253
LEU A 257
LEU A 351
ASN A 158
ARG A 160
CSO  A 287 ( 3.7A)
None
None
None
None
1.35A22.91
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)		5 / 11LEU A 360
GLY A 365
LEU A 336
SER A 369
LEU A 399
None
1.03A22.85
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2bex RIBONUCLEASE
INHIBITOR
(Homo
sapiens)		5 / 11LEU A 393
GLY A 365
LEU A 399
ARG A 372
SER A 369
None
1.30A22.85
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE
(Homo
sapiens)		5 / 11LEU A 615
GLY A 669
GLU A 616
LEU A 673
LEU A 671
None
1.02A23.08
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3b84 ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 48
(Homo
sapiens)		5 / 11LEU A  30
LEU A  65
LEU A  44
SER A  48
LEU A  76
None
1.33A15.41
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3ifq PLAKOGLOBIN
(Homo
sapiens)		5 / 11LEU A 376
GLY A 358
LEU A 393
ASN A 425
SER A 391
None
1.17A21.23
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		3v6a APOPTOSIS INHIBITOR
5
(Homo
sapiens)		5 / 11LEU A 198
LEU A 204
GLY A 209
LEU A 216
LEU A 248
None
1.38A22.04
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 11LEU A 970
THR A 957
LEU A 992
ASN A 792
SER A 990
None
1.40A23.72
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1
(Homo
sapiens)		5 / 11LEU A 401
LEU A 402
GLY A 408
ARG A 374
LEU A 346
None
1.32A22.32
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4nef AQUAPORIN-2
(Homo
sapiens)		5 / 11LEU A 217
LEU A 214
GLY A 211
ASN A 220
LEU A 143
None
1.39A22.51
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4nen INTEGRIN BETA-2
(Homo
sapiens)		5 / 11LEU B 131
LEU B 132
GLY B 142
LEU B 107
LEU B 188
None
1.41A19.14
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		4um8 INTEGRIN ALPHA-V
(Homo
sapiens)		5 / 11LEU A 170
LEU A 171
GLY A 158
SER A  97
LEU A 106
None
1.26A23.03
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5e6s INTEGRIN BETA-2
(Homo
sapiens)		5 / 11LEU B 131
LEU B 132
GLY B 142
LEU B 107
LEU B 188
None
1.35A20.77
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.
3NDV_D_AICD374_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		5txf PHOSPHATIDYLCHOLINE-
STEROL
ACYLTRANSFERASE
(Homo
sapiens)		5 / 11LEU A 160
LEU A 163
GLY A 104
ASN A  34
LEU A  27
None
1.38A23.18
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.
4GCP_A_AICA401_1
(OUTER MEMBRANE
PROTEIN F)		5vk2 FAB 37.7H HEAVY
CHAIN
PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX
(Homo
sapiens;
Lassa
mammarenavirus)		5 / 9GLY a 294
ASP a 273
TYR D  33
SER D  31
ARG D  55
None
1.07A17.97
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.
4GCP_B_AICB401_1
(OUTER MEMBRANE
PROTEIN F)		5vk2 FAB 37.7H HEAVY
CHAIN
PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX
(Homo
sapiens;
Lassa
mammarenavirus)		5 / 9GLY a 294
ASP a 273
TYR D  33
SER D  31
ARG D  55
None
1.07A17.97
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		1euj ENDOTHELIAL MONOCYTE
ACTIVATING
POLYPEPTIDE 2
(Homo
sapiens)		4 / 8ARG A  41
ARG A  12
ARG A 104
GLU A 117
None
1.04A18.88
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1
(Homo
sapiens)		4 / 8ARG A 557
ARG A 215
GLU A 221
ARG A 226
None
1.18A19.35
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A
(Homo
sapiens)		4 / 8TYR A  41
ARG A  84
ARG A  86
ASP A 168
None
1.21A19.84
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		4d86 POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)		4 / 8ARG A 899
TYR A 895
ARG A 892
ASP A1110
None
0.83A21.72
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2
(Homo
sapiens)		4 / 8TYR B 308
ASP B 151
GLU A 318
ARG A 407
None
CA  B 705 (-3.4A)
MG  B 707 (-3.1A)
None
1.05A17.59
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		4oa7 TANKYRASE-1
(Homo
sapiens)		4 / 8TYR A1145
ARG A1247
ASP A1134
GLU A1131
None
1.34A19.08
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		4otp SERINE/THREONINE-PRO
TEIN KINASE RIO1
(Homo
sapiens)		4 / 8TYR A 304
ASP A 421
GLU A 383
ARG A 409
None
1.35A19.53
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)		5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR
(Homo
sapiens)		4 / 8ARG A1628
TYR A1587
ARG A1585
GLU A1598
None
1.41A8.66