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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		1dql IGM MEZ
IMMUNOGLOBULIN
(Homo
sapiens)		5 / 10TRP H  47
TYR H  59
GLY H  99
GLY H 110
TRP H 113
None
0.67A67.48
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		1x6b RHO GUANINE EXCHANGE
FACTOR (GEF) 16
(Homo
sapiens)		5 / 10VAL A  44
VAL A  42
LEU A  36
GLY A  54
GLY A  63
None
1.06A17.28
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1
(Homo
sapiens)		5 / 10VAL A1006
VAL A1004
LEU A1000
GLY A1031
GLY A1038
None
1.32A10.50
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		2ce9 TRANSDUCIN-LIKE
ENHANCER PROTEIN 1
(Homo
sapiens)		5 / 10VAL A 547
LEU A 545
TRP A 557
SER A 555
GLY A 502
None
1.22A22.46
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		2dbk CRK-LIKE PROTEIN
(Homo
sapiens)		5 / 10VAL A  45
VAL A  43
LEU A  37
GLY A  56
GLY A  63
None
0.96A18.75
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		2lj1 SORBIN AND SH3
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 10VAL A  33
VAL A  31
LEU A  25
GLY A  44
GLY A  53
None
1.32A18.44
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		2rf0 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 10
(Homo
sapiens)		5 / 10VAL A  45
VAL A  43
LEU A  37
GLY A  61
GLY A  69
None
1.32A19.61
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		2v24 SPRY
DOMAIN-CONTAINING
SOCS BOX PROTEIN 4
(Homo
sapiens)		5 / 10VAL A 179
LEU A 177
GLY A 116
VAL A 213
TRP A 142
None
1.06A23.36
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		3e73 LANC-LIKE PROTEIN 1
(Homo
sapiens)		5 / 10VAL A  70
LEU A  51
GLY A  67
GLY A  64
TRP A  65
None
1.20A18.45
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		3fme DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6
(Homo
sapiens)		5 / 10VAL A 324
VAL A 328
LEU A 332
GLY A 191
VAL A 193
None
1.00A23.99
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		3qj4 RENALASE
(Homo
sapiens)		5 / 10VAL A   7
VAL A  32
LEU A 119
GLY A   8
GLY A  10
FAD  A 401 (-4.7A)
None
None
FAD  A 401 (-3.3A)
FAD  A 401 ( 3.7A)
1.30A19.36
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		4e93 TYROSINE-PROTEIN
KINASE FES/FPS
(Homo
sapiens)		5 / 10VAL A 587
VAL A 589
GLY A 578
VAL A 562
GLY A 564
None
1.08A21.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		4nik SINGLE-CHAIN FV
FRAGMENT ANTIBODY
(Homo
sapiens)		5 / 10TRP B  49
SER B  52
TYR B  61
GLY B 101
TRP B 109
None
1.02A45.63
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		5fqd DNA DAMAGE-BINDING
PROTEIN 1
(Homo
sapiens)		5 / 10VAL A1006
VAL A1004
LEU A1000
VAL A1028
GLY A1038
None
1.16A13.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		5u4r VRC 315 53-1A09 FAB
HEAVY CHAIN
(Homo
sapiens)		5 / 10LEU A  37
TRP A  47
TYR A  58
GLY A 100
TRP A 103
None
1.32A65.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		5vgj VRC38.01 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 10TRP H  47
SER H  50
TYR H  58
GLY H  95
TRP H 103
None
None
MAN  G1563 (-3.9A)
MAN  G1606 (-4.1A)
None
0.69A60.35
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		1qdu CASPASE-8
ALPHA-CHAIN
(Homo
sapiens)		4 / 5GLN A 264
ILE A 243
LEU A 261
PHE A 265
None
1.19A16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		1qdu CASPASE-8
ALPHA-CHAIN
(Homo
sapiens)		4 / 5GLN A 264
ILE A 258
LEU A 261
PHE A 265
None
0.97A16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		1u71 DIHYDROFOLATE
REDUCTASE
(Homo
sapiens)		4 / 5TYR A 177
GLN A 170
LEU A 166
PHE A 179
None
1.20A21.03
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC
(Homo
sapiens)		4 / 5TYR A 372
GLN A 371
ILE A 292
LEU A 367
None
1.23A21.39
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		2o2t MULTIPLE PDZ DOMAIN
PROTEIN
(Homo
sapiens)		4 / 5TYR A 228
GLN A 187
ILE A 191
PHE A 166
None
1.21A19.21
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		2r15 MYOMESIN-1
(Homo
sapiens)		4 / 5TYR A1555
GLN A1559
ILE A1566
PHE A1558
None
1.17A18.75
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		3pry HEAT SHOCK PROTEIN
HSP 90-BETA
(Homo
sapiens)		4 / 5TYR A 301
ILE A 408
LEU A 333
PHE A 334
None
1.08A21.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		4llu LIGHT CHAIN CLAMBDA
(Homo
sapiens)		4 / 5TYR B  36
GLN B  89
ILE B  93
PHE B  98
None
1.27A49.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		4qdv M7GPPPX
DIPHOSPHATASE
(Homo
sapiens)		4 / 5GLN A 249
ILE A 302
LEU A 245
PHE A 280
None
1.25A17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		4z6y TBC1 DOMAIN FAMILY
MEMBER 7
(Homo
sapiens)		4 / 5TYR B 166
GLN B 161
ILE B  66
LEU B  64
None
1.10A22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		5b8c PEMBROLIZUMAB LIGHT
CHAIN VARIABLE
REGION (PEMVL)
(Homo
sapiens)		4 / 5TYR A  40
GLN A  93
LEU A 100
PHE A 102
None
0.33A35.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		5u3k DH511.2 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 5TYR L  36
GLN L  89
LEU L  96
PHE L  98
None
0.94A58.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		5u3p DH511.4 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 5TYR L  36
GLN L  89
LEU L  96
PHE L  98
None
0.87A56.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		5xcu VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA
(Homo
sapiens;
Mus
musculus)		4 / 5TYR B  36
GLN B  89
LEU B  96
PHE B  98
None
0.39A38.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		5xcx VL-SARAH(S37C)
CHIMERA
(Homo
sapiens;
Mus
musculus)		5 / 5TYR B  36
GLN B  89
ILE B  94
LEU B  96
PHE B  98
None
None
CXS  A 204 ( 4.9A)
None
None
0.31A50.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6ehx SCFV ABVANCE:
INCREASING OUR
KNOWLEDGE OF
ANTIBODY STRUCTURAL
SPACE TO ENABLE
FASTER AND BETTER
DECISION MAKING IN
DRUG DISCOVERY
(Homo
sapiens)		4 / 5TYR B 172
GLN B 225
LEU B 232
PHE B 234
None
0.40A68.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6ehy SCFV ANTIBODY
FRAGMENT
(Homo
sapiens)		4 / 5TYR A 174
GLN A 227
LEU A 234
PHE A 236
None
0.41A36.49
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		6ez8 FACTOR VIII INTRON
22 PROTEIN
HUNTINGTIN
(Homo
sapiens)		4 / 5GLN A2272
ILE B 364
LEU A2269
PHE A2383
None
1.15A11.22