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.
2A3A_A_TEPA1433_1
(CHITINASE)		1hjv CHITINASE-3 LIKE
PROTEIN 1
(Homo
sapiens)		7 / 11TYR A  27
PHE A  58
GLY A  98
MET A 204
TYR A 206
ASP A 207
TRP A 352
NAG  A  -1 (-3.8A)
NAG  A  -2 (-4.7A)
NAG  A  -2 ( 4.2A)
NAG  A   1 (-3.7A)
NAG  A  -1 (-4.6A)
NAG  A  -1 (-3.7A)
NAG  A  -1 (-3.5A)
0.64A30.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		1hjv CHITINASE-3 LIKE
PROTEIN 1
(Homo
sapiens)		6 / 11TYR A  27
PHE A  58
GLY A  98
TRP A  99
MET A 204
TRP A 352
NAG  A  -1 (-3.8A)
NAG  A  -2 (-4.7A)
NAG  A  -2 ( 4.2A)
NAG  A   1 (-3.6A)
NAG  A   1 (-3.7A)
NAG  A  -1 (-3.5A)
0.64A30.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		1hkk CHITOTRIOSIDASE-1
(Homo
sapiens)		7 / 11PHE A  58
GLY A  98
ASP A 138
MET A 210
TYR A 212
TYR A 267
TRP A 358
AMI  A1388 (-4.8A)
AMI  A1388 ( 3.7A)
AMI  A1388 (-3.1A)
AMI  A1388 (-3.3A)
AMI  A1388 (-4.8A)
NAA  A1387 (-3.6A)
AMI  A1388 (-3.5A)
0.91A30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		1hkk CHITOTRIOSIDASE-1
(Homo
sapiens)		9 / 11TYR A  27
PHE A  58
GLY A  98
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
TRP A 358
AMI  A1388 (-3.6A)
AMI  A1388 (-4.8A)
AMI  A1388 ( 3.7A)
AMI  A1388 ( 3.3A)
AMI  A1388 (-3.3A)
AMI  A1388 (-4.8A)
AMI  A1388 ( 2.9A)
NAA  A1387 (-3.6A)
AMI  A1388 (-3.5A)
0.73A30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		1hkk CHITOTRIOSIDASE-1
(Homo
sapiens)		8 / 11TYR A  27
PHE A  58
GLY A  98
TRP A  99
GLU A 140
MET A 210
TYR A 212
TRP A 358
AMI  A1388 (-3.6A)
AMI  A1388 (-4.8A)
AMI  A1388 ( 3.7A)
NAA  A1390 ( 4.3A)
AMI  A1388 ( 3.3A)
AMI  A1388 (-3.3A)
AMI  A1388 (-4.8A)
AMI  A1388 (-3.5A)
0.81A30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens)		7 / 11PHE A  58
GLY A  98
ASP A 138
MET A 210
TYR A 212
TYR A 267
TRP A 360
None
0.80A30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens)		10 / 11TYR A  27
PHE A  58
GLY A  98
TRP A  99
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
TRP A 360
None
0.63A30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		2ybu ACIDIC MAMMALIAN
CHITINASE
(Homo
sapiens)		7 / 11PHE A  58
GLY A  98
ASP A 138
MET A 210
TYR A 212
TYR A 267
TRP A 360
CX9  A1398 (-4.5A)
CX9  A1398 (-3.5A)
CX9  A1398 (-3.0A)
CX9  A1398 (-3.3A)
CX9  A1398 (-4.3A)
None
CX9  A1398 ( 3.3A)
0.78A31.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1433_1
(CHITINASE)		2ybu ACIDIC MAMMALIAN
CHITINASE
(Homo
sapiens)		10 / 11TYR A  27
PHE A  58
GLY A  98
TRP A  99
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
TRP A 360
None
CX9  A1398 (-4.5A)
CX9  A1398 (-3.5A)
CX9  A1399 ( 3.4A)
CX9  A1398 (-3.7A)
CX9  A1398 (-3.3A)
CX9  A1398 (-4.3A)
CX9  A1398 ( 4.4A)
None
CX9  A1398 ( 3.3A)
0.67A31.82
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.
2A3A_A_TEPA1433_1
(CHITINASE)		4ay1 CHITINASE-3-LIKE
PROTEIN 2
(Homo
sapiens)		6 / 11TYR A  32
PHE A  63
GLY A 103
ASP A 213
TYR A 269
TRP A 360
NAG  A 401 (-3.9A)
None
NAG  A 401 (-3.5A)
NAG  A 401 (-2.8A)
NAG  A 400 (-3.7A)
NAG  A 401 (-3.7A)
0.75A28.14
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.
2A3A_A_TEPA1434_1
(CHITINASE)		1i71 APOLIPOPROTEIN(A)
(Homo
sapiens)		3 / 3TRP A  32
THR A  36
TYR A  39
None
0.84A8.76
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.
2A3A_A_TEPA1434_1
(CHITINASE)		1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME
(Homo
sapiens)		3 / 3TRP A 240
THR A 204
TYR A 228
None
1.27A23.20
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.
2A3A_A_TEPA1434_1
(CHITINASE)		1l1f GLUTAMATE
DEHYDROGENASE 1
(Homo
sapiens)		3 / 3TRP A 182
THR A 175
TYR A  99
None
0.71A19.74
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.
2A3A_A_TEPA1434_1
(CHITINASE)		2a5j RAS-RELATED PROTEIN
RAB-2B
(Homo
sapiens)		3 / 3TRP A 105
THR A  67
TYR A  80
None
0.99A17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		2jgz G2/MITOTIC-SPECIFIC
CYCLIN-B1
(Homo
sapiens)		3 / 3TRP B 208
THR B 276
TYR B 277
None
0.79A21.84
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.
2A3A_A_TEPA1434_1
(CHITINASE)		2k60 PROTEIN (STROMAL
INTERACTION MOLECULE
1)
(Homo
sapiens)		3 / 3TRP A 132
THR A 143
TYR A 144
None
1.28A16.55
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.
2A3A_A_TEPA1434_1
(CHITINASE)		2mqi TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)		3 / 3TRP A 149
THR A 223
TYR A 213
None
1.17A12.77
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.
2A3A_A_TEPA1434_1
(CHITINASE)		2n1b GTP-BINDING NUCLEAR
PROTEIN RAN
(Homo
sapiens)		3 / 3TRP A 104
THR A  66
TYR A  79
None
1.16A19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		2o52 RAS-RELATED PROTEIN
RAB-4B
(Homo
sapiens)		3 / 3TRP A 102
THR A  64
TYR A  77
None
0.98A18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)		3 / 3TRP A 198
THR A 179
TYR A 175
None
1.24A23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		3f5x CYCLIN-A2
(Homo
sapiens)		3 / 3TRP B 217
THR B 285
TYR B 286
None
0.69A22.20
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.
2A3A_A_TEPA1434_1
(CHITINASE)		3kv4 PHD FINGER PROTEIN 8
(Homo
sapiens)		3 / 3TRP A 282
THR A  82
TYR A 243
None
1.21A21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		3nbh RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
1
RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
2
(Homo
sapiens)		3 / 3TRP B  59
THR A 538
TYR A 493
None
1.24A17.63
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.
2A3A_A_TEPA1434_1
(CHITINASE)		4bvw APOLIPOPROTEIN(A)
(Homo
sapiens)		3 / 3TRP A  32
THR A  36
TYR A  39
None
0.89A9.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		4lnp SORBIN AND SH3
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		3 / 3TRP A 830
THR A 845
TYR A 846
None
1.28A10.06
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.
2A3A_A_TEPA1434_1
(CHITINASE)		4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2
(Homo
sapiens)		3 / 3TRP A 713
THR A 632
TYR A 634
None
1.18A19.01
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.
2A3A_A_TEPA1434_1
(CHITINASE)		5f5r HEAT SHOCK PROTEIN
75 KDA,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3TRP A 231
THR A  94
TYR A 206
None
1.26A21.48
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.
2A3A_A_TEPA1434_1
(CHITINASE)		5mpo MOLYBDOPTERIN
SYNTHASE SULFUR
CARRIER SUBUNIT
(Homo
sapiens)		3 / 3TRP A  38
THR A  19
TYR A  11
None
1.27A15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1434_1
(CHITINASE)		5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5
(Homo
sapiens)		3 / 3TRP A 124
THR A  81
TYR A  77
None
1.18A20.38
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.
2A3A_A_TEPA1434_1
(CHITINASE)		5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4
(Homo
sapiens)		3 / 3TRP A 152
THR A 107
TYR A 103
None
1.04A12.65
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.
2A3A_A_TEPA1435_1
(CHITINASE)		1gz4 NAD-DEPENDENT MALIC
ENZYME
(Homo
sapiens)		3 / 3TRP A 558
GLU A  93
TYR A  97
None
1.24A21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1435_1
(CHITINASE)		1hkk CHITOTRIOSIDASE-1
(Homo
sapiens)		3 / 3TRP A  99
GLU A 140
TYR A 141
NAA  A1390 ( 4.3A)
AMI  A1388 ( 3.3A)
NAA  A1390 (-4.5A)
0.48A30.85
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.
2A3A_A_TEPA1435_1
(CHITINASE)		1sxe TRANSCRIPTIONAL
REGULATOR ERG
(Homo
sapiens)		3 / 3TRP A 142
GLU A 149
TYR A 150
None
1.24A11.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1435_1
(CHITINASE)		1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens)		3 / 3TRP A  99
GLU A 140
TYR A 141
None
0.44A30.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1435_1
(CHITINASE)		2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3TRP A 442
GLU A 365
TYR A 426
None
0.97A22.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_A_TEPA1435_1
(CHITINASE)		2ybu ACIDIC MAMMALIAN
CHITINASE
(Homo
sapiens)		3 / 3TRP A  99
GLU A 140
TYR A 141
CX9  A1399 ( 3.4A)
CX9  A1398 (-3.7A)
None
0.56A31.82
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.
2A3A_A_TEPA1435_1
(CHITINASE)		3bze HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHA CHAIN
E
(Homo
sapiens)		3 / 3TRP A 167
GLU A  63
TYR A  59
None
0.91A20.93
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.
2A3A_A_TEPA1435_1
(CHITINASE)		3kyo MHC CLASS I ANTIGEN
(Homo
sapiens)		3 / 3TRP A 167
GLU A  63
TYR A  59
None
1.09A21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1435_1
(CHITINASE)		3rl2 HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, A-3 ALPHA
CHAIN
(Homo
sapiens)		3 / 3TRP A 167
GLU A  63
TYR A  59
None
0.96A20.41
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.
2A3A_A_TEPA1435_1
(CHITINASE)		4cah DYSFERLIN
(Homo
sapiens)		3 / 3TRP B 965
GLU B1031
TYR B1014
None
1.09A12.41
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.
2A3A_A_TEPA1435_1
(CHITINASE)		4lcy HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-46 ALPHA
CHAIN
(Homo
sapiens)		3 / 3TRP A 167
GLU A  63
TYR A  59
None
1.02A21.59
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.
2A3A_A_TEPA1435_1
(CHITINASE)		5ks5 EUKARYOTIC
ELONGATION FACTOR 2
KINASE
(Homo
sapiens)		3 / 3TRP A 720
GLU A 717
TYR A 713
None
1.08A11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1435_1
(CHITINASE)		5va3 POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 2
(Homo
sapiens)		3 / 3TRP A 412
GLU A 544
TYR A 545
None
1.06A20.00
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.
2A3A_A_TEPA1435_1
(CHITINASE)		6eub ANGIOPOIETIN-RELATED
PROTEIN 4
(Homo
sapiens)		3 / 3TRP A 241
GLU A 296
TYR A 300
None
1.11A10.49
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.
2A3A_A_TEPA1436_1
(CHITINASE)		1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens)		3 / 3ASP A 279
PHE A 224
ARG A 330
ASP  A 279 ( 0.6A)
PHE  A 224 ( 1.3A)
ARG  A 330 ( 0.6A)
0.82A18.82
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.
2A3A_A_TEPA1436_1
(CHITINASE)		2ohf GTP-BINDING PROTEIN
9
(Homo
sapiens)		3 / 3ASP A  68
PHE A 309
ARG A  70
None
0.75A19.78
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.
2A3A_A_TEPA1436_1
(CHITINASE)		2p4i ANGIOPOIETIN-1
RECEPTOR
(Homo
sapiens)		3 / 3ASP A 982
PHE A 960
ARG A 987
MR9  A 301 (-4.2A)
MR9  A 301 ( 4.7A)
None
0.83A22.47
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.
2A3A_A_TEPA1436_1
(CHITINASE)		3lj8 TYROSINE-PROTEIN
PHOSPHATASE
(Homo
sapiens)		3 / 3ASP A 259
PHE A 333
ARG A 296
None
0.82A16.71
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.
2A3A_A_TEPA1436_1
(CHITINASE)		3n9u CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 7
(Homo
sapiens)		3 / 3ASP C 156
PHE C 168
ARG C 158
None
0.91A16.08
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.
2A3A_A_TEPA1436_1
(CHITINASE)		3o2s RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
SSU72
(Homo
sapiens)		3 / 3ASP B 103
PHE B  36
ARG B  34
None
0.84A18.49
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.
2A3A_A_TEPA1436_1
(CHITINASE)		3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3ASP A  98
PHE A 124
ARG A 128
None
0.68A20.76
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.
2A3A_A_TEPA1436_1
(CHITINASE)		3vvw CALCIUM-BINDING AND
COILED-COIL
DOMAIN-CONTAINING
PROTEIN 2
(Homo
sapiens)		3 / 3ASP A 111
PHE A  48
ARG A 117
None
0.60A12.53
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.
2A3A_A_TEPA1436_1
(CHITINASE)		4jvh PROTEIN QUAKING
(Homo
sapiens)		3 / 3ASP A 187
PHE A  96
ARG A 101
None
0.85A18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		4oib INTERCELLULAR
ADHESION MOLECULE 5
(Homo
sapiens)		3 / 3ASP A 345
PHE A 350
ARG A 348
None
0.88A21.48
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.
2A3A_A_TEPA1436_1
(CHITINASE)		4wrn MALTOSE-BINDING
PERIPLASMIC
PROTEIN,UROMODULIN
(Escherichia
coli;
Homo
sapiens)		3 / 3ASP A 595
PHE A 556
ARG A 598
None
0.83A20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_A_TEPA1436_1
(CHITINASE)		4x4w CCA TRNA
NUCLEOTIDYLTRANSFERA
SE 1, MITOCHONDRIAL
(Homo
sapiens)		3 / 3ASP A 121
PHE A 133
ARG A 125
None
None
GOL  A 502 ( 2.9A)
0.61A21.44
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.
2A3A_A_TEPA1436_1
(CHITINASE)		5o1p ALPHA-AMINOADIPIC
SEMIALDEHYDE
SYNTHASE,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3ASP A 857
PHE A 692
ARG A 839
None
0.87A24.44
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.
2A3A_A_TEPA1436_1
(CHITINASE)		5vni PROTEIN TRANSPORT
PROTEIN SEC23A
(Homo
sapiens)		3 / 3ASP A 547
PHE A 752
ARG A 585
None
0.90A20.30
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.
2A3A_A_TEPA1436_1
(CHITINASE)		6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1
(Homo
sapiens)		3 / 3ASP A 969
PHE A 490
ARG A 997
None
0.80A12.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_B_TEPB2433_1
(CHITINASE)		1hjv CHITINASE-3 LIKE
PROTEIN 1
(Homo
sapiens)		6 / 9PHE A  58
GLY A  98
MET A 204
TYR A 206
ASP A 207
TRP A 352
NAG  A  -2 (-4.7A)
NAG  A  -2 ( 4.2A)
NAG  A   1 (-3.7A)
NAG  A  -1 (-4.6A)
NAG  A  -1 (-3.7A)
NAG  A  -1 (-3.5A)
0.49A30.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_B_TEPB2433_1
(CHITINASE)		1hkk CHITOTRIOSIDASE-1
(Homo
sapiens)		8 / 9PHE A  58
GLY A  98
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
TRP A 358
AMI  A1388 (-4.8A)
AMI  A1388 ( 3.7A)
AMI  A1388 ( 3.3A)
AMI  A1388 (-3.3A)
AMI  A1388 (-4.8A)
AMI  A1388 ( 2.9A)
NAA  A1387 (-3.6A)
AMI  A1388 (-3.5A)
0.56A30.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_B_TEPB2433_1
(CHITINASE)		1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens)		8 / 9PHE A  58
GLY A  98
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
TRP A 360
None
0.48A30.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2A3A_B_TEPB2433_1
(CHITINASE)		2ybu ACIDIC MAMMALIAN
CHITINASE
(Homo
sapiens)		8 / 9PHE A  58
GLY A  98
GLU A 140
MET A 210
TYR A 212
ASP A 213
TYR A 267
TRP A 360
CX9  A1398 (-4.5A)
CX9  A1398 (-3.5A)
CX9  A1398 (-3.7A)
CX9  A1398 (-3.3A)
CX9  A1398 (-4.3A)
CX9  A1398 ( 4.4A)
None
CX9  A1398 ( 3.3A)
0.44A31.82
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.
2A3A_B_TEPB2433_1
(CHITINASE)		3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 9GLU B 170
MET B 237
TYR B 239
TYR B 280
TRP B 358
None
1.12A24.15
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.
2A3A_B_TEPB2433_1
(CHITINASE)		4ay1 CHITINASE-3-LIKE
PROTEIN 2
(Homo
sapiens)		5 / 9PHE A  63
GLY A 103
ASP A 213
TYR A 269
TRP A 360
None
NAG  A 401 (-3.5A)
NAG  A 401 (-2.8A)
NAG  A 400 (-3.7A)
NAG  A 401 (-3.7A)
0.53A28.14
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.
2A3A_B_TEPB2434_1
(CHITINASE)		1i71 APOLIPOPROTEIN(A)
(Homo
sapiens)		3 / 3TRP A  32
THR A  36
TYR A  39
None
0.76A8.76
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.
2A3A_B_TEPB2434_1
(CHITINASE)		1l1f GLUTAMATE
DEHYDROGENASE 1
(Homo
sapiens)		3 / 3TRP A 182
THR A 175
TYR A  99
None
0.70A19.74
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.
2A3A_B_TEPB2434_1
(CHITINASE)		2a5j RAS-RELATED PROTEIN
RAB-2B
(Homo
sapiens)		3 / 3TRP A 105
THR A  67
TYR A  80
None
1.03A17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		2jgz G2/MITOTIC-SPECIFIC
CYCLIN-B1
(Homo
sapiens)		3 / 3TRP B 208
THR B 276
TYR B 277
None
0.75A21.84
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.
2A3A_B_TEPB2434_1
(CHITINASE)		2k60 PROTEIN (STROMAL
INTERACTION MOLECULE
1)
(Homo
sapiens)		3 / 3TRP A 132
THR A 143
TYR A 144
None
1.25A16.55
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.
2A3A_B_TEPB2434_1
(CHITINASE)		2mqi TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)		3 / 3TRP A 149
THR A 223
TYR A 213
None
1.14A12.77
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.
2A3A_B_TEPB2434_1
(CHITINASE)		2n1b GTP-BINDING NUCLEAR
PROTEIN RAN
(Homo
sapiens)		3 / 3TRP A 104
THR A  66
TYR A  79
None
1.22A19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		2o52 RAS-RELATED PROTEIN
RAB-4B
(Homo
sapiens)		3 / 3TRP A 102
THR A  64
TYR A  77
None
1.03A18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		2xyd ANGIOTENSIN-CONVERTI
NG ENZYME
(Homo
sapiens)		3 / 3TRP A 198
THR A 179
TYR A 175
None
1.20A23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		3f5x CYCLIN-A2
(Homo
sapiens)		3 / 3TRP B 217
THR B 285
TYR B 286
None
0.64A22.20
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.
2A3A_B_TEPB2434_1
(CHITINASE)		3kv4 PHD FINGER PROTEIN 8
(Homo
sapiens)		3 / 3TRP A 282
THR A  82
TYR A 243
None
1.16A21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		3nbh RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
1
RECQ-MEDIATED GENOME
INSTABILITY PROTEIN
2
(Homo
sapiens)		3 / 3TRP B  59
THR A 538
TYR A 493
None
1.21A17.63
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.
2A3A_B_TEPB2434_1
(CHITINASE)		4bvw APOLIPOPROTEIN(A)
(Homo
sapiens)		3 / 3TRP A  32
THR A  36
TYR A  39
None
0.80A9.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A3A_B_TEPB2434_1
(CHITINASE)		4lnp SORBIN AND SH3
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		3 / 3TRP A 830
THR A 845
TYR A 846
None
1.20A10.06
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.
2A3A_B_TEPB2434_1
(CHITINASE)		4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2
(Homo
sapiens)		3 / 3TRP A 713
THR A 632
TYR A 634
None
1.20A19.01
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.
2A3A_B_TEPB2434_1
(CHITINASE)		5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5
(Homo
sapiens)		3 / 3TRP A 124
THR A  81
TYR A  77
None
1.18A20.38
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.
2A3A_B_TEPB2434_1
(CHITINASE)		5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4
(Homo
sapiens)		3 / 3TRP A 152
THR A 107
TYR A 103
None
1.04A12.65
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		1d7w MYELOPEROXIDASE
(Homo
sapiens)		4 / 8ALA C 209
ASP C 205
LEU C 252
THR C 251
None
0.79A19.21
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		1olx 2-OXOISOVALERATE
DEHYDROGENASE BETA
SUBUNIT
(Homo
sapiens)		4 / 8ALA B  30
VAL B  27
LEU B  23
LEU B 174
None
0.83A22.66
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		1r55 ADAM 33
(Homo
sapiens)		4 / 8ALA A 241
VAL A 244
ASP A 245
LEU A 248
None
0.47A25.18
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		1ryu SWI/SNF-RELATED,
MATRIX-ASSOCIATED,
ACTIN-DEPENDENT
REGULATOR OF
CHROMATIN SUBFAMILY
F MEMBER 1
(Homo
sapiens)		4 / 8VAL A  25
ASP A  26
LEU A  29
LEU A  12
None
0.80A18.33
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		1uou THYMIDINE
PHOSPHORYLASE
(Homo
sapiens)		4 / 8ALA A 284
VAL A 287
LEU A 291
LEU A 371
None
0.60A19.58
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1
(Homo
sapiens)		4 / 8ALA A 411
VAL A 414
LEU A 418
LEU A 396
None
0.77A16.85
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		2qtz METHIONINE SYNTHASE
REDUCTASE
(Homo
sapiens)		4 / 8ALA A 657
VAL A 660
LEU A 664
LEU A 693
None
0.75A19.13
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.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8ALA A 441
VAL A 438
ASP A 437
LEU A 434
EDO  A1750 ( 4.6A)
None
None
None
0.74A17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		3apm PROTEIN-ARGININE
DEIMINASE TYPE-4
(Homo
sapiens)		4 / 8ALA A 204
VAL A 203
LEU A 267
LEU A 264
None
0.72A17.65
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE
(Homo
sapiens)		4 / 5SER A 174
GLY A 172
THR A 148
VAL A 213
NDP  A 302 (-2.6A)
NDP  A 302 (-3.5A)
NDP  A 302 (-3.6A)
None
0.92A22.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3fhx PYRIDOXAL KINASE
(Homo
sapiens)		4 / 5SER A  12
GLY A  20
THR A  47
VAL A 231
PXL  A 313 (-3.3A)
None
PXL  A 313 (-2.7A)
SO4  A 314 ( 4.0A)
0.18A99.68
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3j70 MONOCLONAL ANTIBODY
17B LIGHT CHAIN
(Homo
sapiens)		4 / 5SER A 203
GLY A 118
THR A 151
VAL A 142
None
0.92A22.77
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		3njp EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)		4 / 5SER A 423
GLY A 425
THR A 450
VAL A 500
None
1.05A19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		4v3d ENDOTHELIAL PROTEIN
C RECEPTOR
HB3VAR03 CIDRA
DOMAIN
(Homo
sapiens;
Plasmodium
falciparum)		4 / 5SER A 653
GLY B  78
THR B  46
VAL B  25
None
1.05A19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10
(Homo
sapiens)		4 / 5SER A 446
GLY A 449
VAL A 576
ASP A 578
None
0.94A18.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		5xau LAMININ SUBUNIT
ALPHA-5
(Homo
sapiens)		4 / 5SER A3086
GLY A2948
VAL A3111
ASP A2947
None
0.95A19.03
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		1w3b UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110
(Homo
sapiens)		4 / 5SER A 243
HIS A 248
TYR A 218
VAL A 251
None
1.44A21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		3fhx PYRIDOXAL KINASE
(Homo
sapiens)		4 / 5SER A  12
HIS A  46
TYR A  84
VAL A 231
PXL  A 313 (-3.3A)
PXL  A 313 (-4.9A)
PXL  A 313 ( 4.6A)
SO4  A 314 ( 4.0A)
0.24A99.68
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		4bou OTU
DOMAIN-CONTAINING
PROTEIN 3
(Homo
sapiens)		4 / 5HIS A 153
TYR A 183
VAL A 186
ASP A 184
None
1.18A18.71
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.
4EOH_B_TEPB402_1
(PYRIDOXAL KINASE)		4r0i SUPPRESSOR OF
TUMORIGENICITY 14
PROTEIN
(Homo
sapiens)		4 / 5SER A  90
TYR A  59
VAL A 212
ASP A 102
None
1.27A20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		1jpl ADP-RIBOSYLATION
FACTOR BINDING
PROTEIN GGA3
(Homo
sapiens)		4 / 8LEU A  69
PHE A  89
LEU A 118
ILE A 131
None
0.97A18.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2e0t DUAL SPECIFICITY
PHOSPHATASE 26
(Homo
sapiens)		4 / 8LEU A 167
GLU A  64
LEU A 141
ILE A 148
None
0.61A18.59
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2iqc FANCONI ANEMIA GROUP
F PROTEIN
(Homo
sapiens)		4 / 8LEU A 260
PHE A 248
LEU A 209
ILE A 205
None
0.85A20.58
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2qp4 BILE SALT
SULFOTRANSFERASE
(Homo
sapiens)		4 / 8PHE A 109
MET A 173
LEU A  40
ILE A  38
None
0.91A18.97
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		2y96 DUAL SPECIFICITY
PHOSPHATASE DUPD1
(Homo
sapiens)		4 / 8LEU A 162
GLU A  57
LEU A 136
ILE A 143
None
0.71A16.21
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens)		4 / 8LEU A 335
GLU A 256
LEU A 280
ILE A 290
LEU  A 335 ( 0.6A)
GLU  A 256 ( 0.6A)
LEU  A 280 ( 0.6A)
ILE  A 290 (-0.7A)
0.99A20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3qak ADENOSINE RECEPTOR
A2A,LYSOZYME CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		6 / 8LEU A  85
PHE A 168
MET A 177
LEU A 249
ASN A 253
ILE A 274
UKA  A1200 (-4.8A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.8A)
UKA  A1200 (-4.9A)
UKA  A1200 (-3.4A)
UKA  A1200 (-4.9A)
0.60A69.90
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		3w4k D-AMINO-ACID OXIDASE
(Homo
sapiens)		4 / 8LEU A 296
GLU A 169
LEU A 189
ILE A   6
None
None
FAD  A 401 ( 4.9A)
None
1.01A19.52
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		4b3g DNA-BINDING PROTEIN
SMUBP-2
(Homo
sapiens)		4 / 8LEU A 166
GLU A 382
LEU A 397
ILE A 374
None
0.99A22.05
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		4dy0 GLIA-DERIVED NEXIN
(Homo
sapiens)		5 / 8LEU A 371
GLU A 224
ASN A 365
MET A 262
ILE A 258
None
1.19A22.41
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		4hti RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE N2
(Homo
sapiens)		4 / 8LEU A 536
GLU A 582
LEU A 529
ILE A 514
None
1.02A13.38
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		4nen INTEGRIN ALPHA-X
(Homo
sapiens)		4 / 8LEU A 443
GLU A 429
LEU A 386
MET A 374
None
0.70A17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)		4 / 8LEU A3368
GLU A3333
LEU A3314
ILE A3355
None
0.98A8.58
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1
(Homo
sapiens)		4 / 8LEU A 202
GLU A 166
LEU A 162
ILE A 121
None
0.97A21.57
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5dis GTP-BINDING NUCLEAR
PROTEIN RAN
(Homo
sapiens)		4 / 8LEU B  50
LEU B  15
MET B  89
ILE B  87
None
0.98A16.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5g53 ADENOSINE RECEPTOR
A2A
(Homo
sapiens)		8 / 8LEU A  85
PHE A 168
GLU A 169
MET A 177
LEU A 249
ASN A 253
MET A 270
ILE A 274
NEC  A 400 (-4.9A)
NEC  A 400 (-3.6A)
NEC  A 400 (-4.0A)
NEC  A 400 (-4.8A)
NEC  A 400 ( 4.6A)
NEC  A 400 (-3.3A)
None
NEC  A 400 (-4.6A)
0.58A70.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5gtj DUAL SPECIFICITY
PROTEIN PHOSPHATASE
26
(Homo
sapiens)		4 / 8LEU A 167
GLU A  64
LEU A 141
ILE A 148
None
0.63A16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5lf7 PROTEASOME SUBUNIT
BETA TYPE-1
(Homo
sapiens)		4 / 8LEU L  46
LEU L  92
ASN L 108
ILE L  95
None
0.96A18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5n2s SOLUBLE CYTOCHROME
B562,ADENOSINE
RECEPTOR A1
(Escherichia
coli;
Homo
sapiens)		4 / 8LEU A1193
PHE A1276
MET A1285
ASN A1359
None
8K8  A2001 ( 3.4A)
8K8  A2001 ( 4.5A)
8K8  A2001 ( 3.1A)
0.49A37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5n2s SOLUBLE CYTOCHROME
B562,ADENOSINE
RECEPTOR A1
(Escherichia
coli;
Homo
sapiens)		5 / 8PHE A1276
MET A1285
LEU A1355
ASN A1359
ILE A1379
8K8  A2001 ( 3.4A)
8K8  A2001 ( 4.5A)
8K8  A2001 ( 4.3A)
8K8  A2001 ( 3.1A)
8K8  A2001 ( 4.2A)
0.57A37.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		5uen ADENOSINE RECEPTOR
A1,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A1
(Escherichia
coli;
Homo
sapiens)		6 / 8LEU A  88
PHE A 171
MET A 180
LEU A 250
ASN A 254
ILE A 274
None
DU1  A1201 (-3.5A)
DU1  A1201 (-3.4A)
DU1  A1201 (-4.4A)
DU1  A1201 (-3.1A)
DU1  A1201 (-4.3A)
0.74A64.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6aqf ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens)		8 / 8LEU A  85
PHE A 168
GLU A 169
MET A 177
LEU A 249
ASN A 253
MET A 270
ILE A 274
None
ZMA  A1201 (-3.5A)
ZMA  A1201 (-4.1A)
None
ZMA  A1201 (-4.1A)
ZMA  A1201 (-3.2A)
ZMA  A1201 (-4.8A)
ZMA  A1201 (-4.8A)
0.28A97.50
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6d9h CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1
(Homo
sapiens)		5 / 8LEU R  88
GLU R 172
MET R 180
LEU R 250
ASN R 254
ADN  R 400 ( 4.5A)
ADN  R 400 (-3.5A)
ADN  R 400 (-4.6A)
ADN  R 400 (-4.5A)
ADN  R 400 (-2.9A)
1.19A12.15
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6d9h CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1
(Homo
sapiens)		5 / 8LEU R  88
MET R 180
LEU R 250
ASN R 254
ILE R 274
ADN  R 400 ( 4.5A)
ADN  R 400 (-4.6A)
ADN  R 400 (-4.5A)
ADN  R 400 (-2.9A)
ADN  R 400 ( 4.9A)
0.66A12.15
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6d9h CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1
(Homo
sapiens)		5 / 8LEU R  88
PHE R 171
GLU R 172
MET R 180
LEU R 250
ADN  R 400 ( 4.5A)
ADN  R 400 (-3.8A)
ADN  R 400 (-3.5A)
ADN  R 400 (-4.6A)
ADN  R 400 (-4.5A)
1.19A12.15
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6d9h CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1
(Homo
sapiens)		5 / 8LEU R  88
PHE R 171
MET R 180
LEU R 250
ILE R 274
ADN  R 400 ( 4.5A)
ADN  R 400 (-3.8A)
ADN  R 400 (-4.6A)
ADN  R 400 (-4.5A)
ADN  R 400 ( 4.9A)
0.83A12.15
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		6gdg TRXA,ADENOSINE
RECEPTOR A2A
(Escherichia
coli;
Homo
sapiens)		6 / 8LEU A  85
MET A 177
LEU A 249
ASN A 253
MET A 270
ILE A 274
NEC  A 400 ( 4.5A)
NEC  A 400 (-4.3A)
NEC  A 400 (-4.9A)
NEC  A 400 (-3.5A)
None
NEC  A 400 (-4.2A)
0.63A12.87