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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		1ln1 PHOSPHATIDYLCHOLINE
TRANSFER PROTEIN
(Homo
sapiens)		5 / 12MET A 203
ILE A  41
LEU A  60
LEU A  68
TYR A  72
DLP  A2313 (-4.2A)
DLP  A2313 (-3.2A)
None
None
DLP  A2313 (-4.4A)
1.29A22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		3gtu GLUTATHIONE
S-TRANSFERASE
(Homo
sapiens)		5 / 12ILE B 197
TYR B 164
THR B 163
LEU B 167
LEU B 178
None
1.35A20.74
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		4auo INTERSTITIAL
COLLAGENASE
(Homo
sapiens)		5 / 12GLU A 383
TYR A 313
THR A 269
PHE A 324
TYR A 341
None
1.18A17.77
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		4k6j WINGS APART-LIKE
PROTEIN HOMOLOG
(Homo
sapiens)		5 / 12MET A 724
ILE A 824
THR A 798
LEU A 802
LEU A 736
None
1.19A13.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		4mtl PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21C
(Homo
sapiens)		5 / 12GLU A 108
TYR A 101
LEU A  98
LEU A 191
TYR A 189
None
1.47A18.91
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		4run ODORANT-BINDING
PROTEIN 2A
(Homo
sapiens)		5 / 12GLU A   8
TYR A  95
THR A  92
LEU A  89
LEU A 131
None
1.42A23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		5hcc COMPLEMENT C5
(Homo
sapiens)		5 / 12GLU A1249
TYR A1143
THR A1148
LEU A1144
TYR A1124
None
1.34A9.78
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		5mw5 PROTEIN JAGGED-2
(Homo
sapiens)		5 / 12ILE A 163
THR A  95
LEU A  98
PHE A 103
LEU A 105
None
1.47A19.01
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		5mw7 PROTEIN JAGGED-2
(Homo
sapiens)		5 / 12ILE A 163
THR A  95
LEU A  98
PHE A 103
LEU A 105
None
1.43A16.98
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.
2MJI_A_KTRA201_1
(FATTY ACID-BINDING
PROTEIN, INTESTINAL)		5t89 VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1
(Homo
sapiens)		5 / 12GLU X 137
TYR X 220
THR X 222
LEU X 205
LEU X 169
None
1.19A14.36
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		1ad0 ANTIBODY A5B7 (HEAVY
CHAIN)
(Homo
sapiens)		4 / 5THR B  82
GLY B  16
VAL B  12
PRO B  14
None
0.84A20.29
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		1fl5 ANTIBODY GERMLINE
PRECURSOR TO
ANTIBODY 28B4
(Homo
sapiens)		4 / 5THR H 822
GLY H  16
VAL H  12
PRO H  14
None
0.90A20.59
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		2ot3 RAS-RELATED PROTEIN
RAB-21
(Homo
sapiens)		4 / 5THR B  75
GLY B  26
VAL B  98
TYR B  89
None
1.12A21.47
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		2pxj JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 3A
(Homo
sapiens)		4 / 5GLY A 216
VAL A 211
PRO A 213
TYR A 299
None
1.08A20.71
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		2vc2 INTEGRIN ALPHA-IIB
(Homo
sapiens)		4 / 5THR A 176
GLY A 179
VAL A 200
PRO A 199
None
1.17A22.06
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		2vkp BTB/POZ
DOMAIN-CONTAINING
PROTEIN 6
(Homo
sapiens)		4 / 5THR A  20
GLY A  15
VAL A  57
PRO A  55
None
1.11A14.72
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		3e0j DNA POLYMERASE
SUBUNIT DELTA-2
(Homo
sapiens)		4 / 5THR A 344
GLY A 405
VAL A 428
TYR A 402
None
1.03A22.08
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 3
(Homo
sapiens)		4 / 5GLY A2033
VAL A2035
PRO A2032
TYR C 613
None
1.07A17.49
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		4kro CETUXIMAB HEAVY
CHAIN
(Homo
sapiens;
Mus
musculus)		4 / 5THR D 113
GLY D  10
VAL D  12
PRO D   9
None
1.13A21.28
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		5f9s SERINE--PYRUVATE
AMINOTRANSFERASE
(Homo
sapiens)		4 / 5THR A 154
GLY A 109
VAL A 113
TYR A 204
PLP  A 401 ( 4.4A)
None
None
None
1.16A21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		5szj RAS-RELATED PROTEIN
RAB-10
(Homo
sapiens)		4 / 5THR A  65
GLY A  16
VAL A  88
TYR A  79
None
1.19A20.73
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		5u3l DH511.2 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 5THR H  82
GLY H  16
VAL H  12
PRO H  14
None
1.03A20.77
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		5vgj VRC38.01 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 5THR H  82
GLY H  16
VAL H  12
PRO H  14
None
1.02A22.35
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6en4 SPLICING FACTOR 3B
SUBUNIT 3
(Homo
sapiens)		4 / 5THR A 538
GLY A 523
VAL A 519
PRO A 521
None
1.01A12.65
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.
4GRK_A_KTRA713_1
(LACTOTRANSFERRIN)		6f0x MAD2L1-BINDING
PROTEIN
(Homo
sapiens)		4 / 5THR P 145
VAL P 150
PRO P 148
TYR P 260
None
1.18A12.84