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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)
2xsz RUVB-LIKE 1
(Homo
sapiens)
5 / 12SER A 317
GLN A 291
THR A 312
GLY A 306
GLN A 284
None
1.21A21.14
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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)
2yl2 ACETYL-COA
CARBOXYLASE 1
(Homo
sapiens)
5 / 12SER A 284
GLN A 320
THR A 294
SER A 300
GLY A 299
None
1.43A24.03
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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)
3c10 HISTONE DEACETYLASE
7A
(Homo
sapiens)
5 / 12SER A 728
ASN A 756
GLN A 720
GLY A 711
THR A 714
K  A 201 (-2.7A)
None
None
None
None
1.46A20.92
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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
(Homo
sapiens)
5 / 12ASN A 905
ASN A 982
THR A 605
SER A 651
GLY A 650
None
1.47A15.06
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.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN
(Homo
sapiens)
5 / 12ASN A  74
GLN A  20
THR A 174
GLY A 172
THR A 171
None
1.44A19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)
5u0r DH270.UCA1 LIGHT
CHAIN
(Homo
sapiens)
5 / 12ARG L  56
ASN L  62
SER L  17
GLN L  39
GLY L  15
None
1.31A15.87