Ligand ID: KKK


Drugbank ID:
DB01026
(Ketoconazole)


Indication:
For the treatment of the following systemic fungal infections: candidiasis, chronic mucocutaneous candidiasis, oral thrush, candiduria, blastomycosis, coccidioidomycosis, histoplasmosis, chromomycosis, and paracoccidioidomycosis.

Get human targets for KKK in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'KKK' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first 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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
PHE A  90
ALA A  30
LEU A 106
MET B 101
LEU A  88
1.41A13.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
TYR A  85
GLY A 120
ALA A 117
ILE A 124
MET A 138
1.56A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		1x7q HLA, A-11
(Homo
sapiens)		5 / 12
TYR A  85
GLY A 120
ALA A 117
ILE A 124
MET A 138
1.59A21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 8
ILE B 288
GLN B 320
ALA B 316
LEU B 290
PRO B 318
1.72A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 8
ILE G 124
GLN H  61
GLN C  36
ALA C  35
LEU C  33
1.75A18.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		2bx3 MAIN PROTEINASE
(SARS-COV
Sin2774)		5 / 12
TYR A 209
ALA A 267
THR A 225
LEU A 262
LEU A 242
1.37A18.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 8
ILE C 107
GLN C 139
ALA C 135
LEU C 109
PRO C 137
1.71A20.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR C 306
LEU C 212
LEU C 254
ILE C 223
GLY C 220
1.40A23.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR B  72
PHE B  80
TYR B  73
ALA B 154
ALA B 150
1.34A21.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		2ga6 ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
THR J  51
VAL T  21
ASN N  40
ALA N   9
ASN J  62
1.76A15.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
TYR A 178
GLY A 125
THR A  83
ILE A  85
ILE A  69
1.63A22.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
TYR B 178
GLY B 125
THR B  83
ILE B  85
ILE B  69
1.65A22.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
PRO A 262
VAL B 127
ALA B  80
SER B 161
ASN B 163
1.71A23.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 8
GLN A 299
ALA A 206
LEU A 208
LEU A 220
PRO A 293
1.79A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
TYR E 178
GLY E 125
THR E  83
ILE E  85
ILE E  69
1.60A22.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
PHE F 302
PHE F 240
ALA F 283
THR F 281
ILE F 280
1.59A22.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		2xyq NSP10
(SARSr-CoV)		5 / 12
VAL B  13
ALA B  24
TRP B 123
ASN B 114
ARG B 113
1.74A13.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		2xyv NSP10
(SARSr-CoV)		5 / 12
VAL B  13
ALA B  24
TRP B 123
ASN B 114
ARG B 113
1.73A13.76
None
None
None
None
CL  B1132 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		3bgf F26G19 FAB
(Mus
musculus)		5 / 8
GLN L  37
ALA L  84
LEU L 104
LEU L  21
PRO L  40
1.67A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
PHE H  29
THR H  57
LEU H  69
ILE H  48
MET H  20
1.36A16.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 8
ILE A 544
GLN A 526
ALA A 528
LEU A 529
PRO A 583
1.58A20.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TYR A 199
TYR A 202
ALA A 193
LEU A 116
ILE A 119
1.35A21.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3e9s NSP3
(SARSr-CoV)		5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.39A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		3e9s NSP3
(SARSr-CoV)		6 / 12
GLN A 123
GLN A 122
ALA A 120
LEU A 121
LEU A 133
ILE A 277
1.65A23.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.34A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		3sci ACE2
(Homo
sapiens)		5 / 8
ILE A 544
GLN A 526
ALA A 528
LEU A 529
PRO A 583
1.57A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TYR A 237
PHE A 523
ALA A 242
THR A 282
LEU A 444
1.12A22.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 8
ILE A 544
GLN A 526
ALA A 528
LEU A 529
PRO A 583
1.72A19.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
TYR A  85
GLY A 120
ALA A 117
ILE A 124
MET A 138
1.55A22.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
TYR A  85
GLY A 120
ALA A 117
ILE A 124
MET A 138
1.58A22.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.33A22.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
TYR A 306
LEU A 212
LEU A 254
ILE A 223
GLY A 220
1.36A22.67
None
None
GOL  A 406 (-4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 12
TYR A 306
LEU A 212
LEU A 254
ILE A 223
GLY A 220
1.33A23.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE B   8
PHE B  89
PHE B 198
GLY B 110
MET B  57
1.43A19.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
PRO D 239
PHE C  19
VAL D 244
ALA D 274
SER D 194
1.72A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
PHE B   8
PHE B  89
PHE B 198
GLY B 110
MET B  57
1.43A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		5 / 12
PRO D 239
PHE C  19
VAL D 244
ALA D 274
SER D 194
1.79A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TYR D  64
PHE D 240
THR D  75
MET D  62
MET D 241
1.76A19.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR D  72
PHE D  80
TYR D  73
ALA D 154
ALA D 150
1.34A22.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV;
synthetic
construct)		5 / 12
GLN D 134
ALA D 130
LEU D 133
LEU D 121
GLY F  10
1.31A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
TYR D  72
PHE D  80
TYR D  73
ALA D 154
ALA D 150
1.35A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
GLN D 123
GLN D 122
ALA D 120
LEU D 121
LEU D 133
ILE D 277
1.61A23.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
PHE D 305
GLY D  39
ALA D  87
THR D  91
MET D 170
1.70A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		5 / 12
PHE B  26
ALA A  44
LEU A  34
ILE A  33
LEU A  27
1.39A9.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
PHE A 156
PHE A 232
GLY A 162
THR A 168
ILE A 186
1.30A22.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
PHE A 156
PHE A 232
GLY A 162
THR A 168
ILE A 186
1.29A22.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
GLN B 984
GLN A 987
LEU A 986
LEU A 749
1.04A15.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		6 / 12
PHE C 782
ALA C 853
ALA C1037
LEU C1045
ILE C 704
MET C1032
1.63A17.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
PHE C1044
PHE C 880
GLY C 781
ALA C 906
ILE C 702
1.60A17.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE C 724
TYR C 723
LEU C 983
LEU C 745
GLY A 739
1.30A15.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
PHE C 156
PHE C 232
GLY C 162
THR C 168
ILE C 186
1.30A16.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
PHE C 156
PHE C 232
GLY C 162
THR C 168
ILE C 186
1.30A16.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ILE C 831
LEU C1078
LEU C 835
ILE C1051
GLY C 813
1.40A13.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 724
TYR B 723
LEU B 983
LEU B 745
GLY A 739
1.17A16.27
ILE  B 724 ( 0.6A)
TYR  B 723 ( 1.3A)
LEU  B 983 ( 0.6A)
LEU  B 745 ( 0.5A)
GLY  A 739 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLY A1041
ALA A1037
THR A 856
ILE A 787
ILE A 913
1.60A17.90
GLY  A1041 ( 0.0A)
ALA  A1037 ( 0.0A)
THR  A 856 ( 0.8A)
ILE  A 787 ( 0.7A)
ILE  A 913 ( 0.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
TYR B 989
GLN B 936
GLN B 993
ALA B 997
LEU B 994
1.50A16.27
TYR  B 989 ( 1.3A)
GLN  B 936 ( 0.6A)
GLN  B 993 ( 0.6A)
ALA  B 997 ( 0.0A)
LEU  B 994 ( 0.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C1044
PHE C 880
GLY C 781
ALA C 906
ILE C 702
1.61A17.90
PHE  C1044 ( 1.3A)
PHE  C 880 ( 1.3A)
GLY  C 781 ( 0.0A)
ALA  C 906 ( 0.0A)
ILE  C 702 ( 0.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
PHE A 782
ALA A 853
ALA A1037
LEU A1045
ILE A 704
MET A1032
1.74A17.61
PHE  A 782 ( 1.3A)
ALA  A 853 ( 0.0A)
ALA  A1037 ( 0.0A)
LEU  A1045 ( 0.6A)
ILE  A 704 ( 0.7A)
MET  A1032 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.34A22.34
 NA  A 406 (-4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		5 / 12
PHE B 952
ALA A 938
LEU C 941
ILE b  11
LEU B 944
1.36A10.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR C 616
PRO C 617
VAL C 628
ALA C 633
SER C 577
1.73A15.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6acg ACE2
(Homo
sapiens)		6 / 12
ILE D 407
GLN D 524
ALA D 528
LEU D 529
LEU D 320
GLY D 575
1.79A20.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 724
TYR A 723
LEU A 983
LEU A 745
GLY C 739
0.95A16.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE A  83
PHE A 231
GLY A  86
ILE A 116
ILE A 115
1.50A18.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C 325
PHE C 387
ALA C 350
MET C 417
LEU C 421
1.39A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6acj ACE2
(Homo
sapiens)		5 / 12
TYR D 237
PHE D 523
ALA D 242
THR D 282
LEU D 444
1.29A22.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ILE B 724
TYR B 723
LEU B 983
LEU B 745
0.87A16.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6ack ACE2
(Homo
sapiens)		5 / 12
PHE D 512
TYR D 381
PHE D 525
ALA D 569
THR D 567
1.64A21.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE A1034
TYR A 899
GLY B1113
ILE A 878
MET A 884
1.45A18.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLN C 769
LEU B 681
LEU C 847
ILE B 687
GLY C 862
1.32A14.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
TYR C 899
GLY B1113
ALA B1060
THR B1058
ILE B 694
1.65A18.43
None
NAG  B1304 ( 4.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
TYR C 899
GLY B1113
ALA B1060
THR B1058
ILE B 694
1.59A18.43
None
NAG  B1304 ( 4.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ILE B 724
TYR B 723
LEU B 983
LEU B 745
0.94A14.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		6 / 12
PHE B 880
ALA B 854
ALA B 853
ILE B 913
MET B1032
LEU B 788
1.67A17.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE A 724
TYR A 723
LEU A 983
LEU A 745
GLY B 739
1.05A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR A 229
ASN C 457
ALA C 339
SER A 111
ASN A 227
1.66A16.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
TYR C 886
GLY C 873
ALA C 872
ILE C 891
MET C1032
1.54A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
PHE B 880
ALA B 854
ALA B 853
ILE B 913
LEU B 788
1.36A17.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
PHE A 880
GLY B 873
ALA B 872
ILE A 891
MET A1032
1.57A18.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
ILE C 724
TYR C 723
LEU C 983
LEU C 745
0.93A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6cs2 ACE2
(Homo
sapiens)		5 / 8
ILE D 256
TYR D 252
ALA D 264
LEU D 262
LEU D 278
1.62A20.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6cs2 ACE2
(Homo
sapiens)		5 / 12
TYR D 237
PHE D 523
ALA D 242
THR D 282
LEU D 444
1.16A21.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 12
TYR A   7
TYR A  99
PHE A  22
THR A  69
ILE A  66
1.59A20.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6jyt HELICASE
(SARSr-CoV)		5 / 12
THR A 566
PRO A 284
VAL A 425
ASN A 423
ASN A 562
1.72A20.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6jyt HELICASE
(SARSr-CoV)		5 / 12
TYR A 396
PHE A 373
TYR A 398
ALA A 379
LEU A 363
1.35A22.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6lzg ACE2
(Homo
sapiens)		6 / 12
TYR A 237
PHE A 523
ALA A 242
THR A 282
LEU A 444
LEU A 591
1.46A21.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6lzg ACE2
(Homo
sapiens)		5 / 8
ILE A 544
GLN A 526
ALA A 528
LEU A 529
PRO A 583
1.56A21.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ILE A 325
TYR A 322
HIS A  65
ILE A 132
GLY A  53
1.42A20.30
None
None
None
None
LEU  A 707 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m17 ACE2
(Homo
sapiens)		5 / 8
ILE B 544
GLN B 526
ALA B 528
LEU B 529
PRO B 583
1.62A18.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6m18 ACE2
(Homo
sapiens)		6 / 12
TYR B 237
PHE B 523
ALA B 242
THR B 282
LEU B 444
LEU B 591
1.48A19.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 8
ILE C 251
GLN C  63
ALA C 318
LEU C 242
PRO C  59
1.58A20.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
PHE A 400
TYR A  60
TRP A  56
GLY A  67
ILE A 325
1.42A20.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
TYR A 480
TRP A 481
GLY A 397
THR A 180
ILE A 183
1.71A20.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE C 262
TYR C 622
GLY C 638
ALA C 595
THR C 585
1.59A17.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR B 899
GLY C1113
ALA C1060
THR C1058
ILE C 694
1.71A17.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR B 760
VAL C 933
ALA C1002
ARG B 758
ARG B1001
1.73A15.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE A 724
TYR A 723
LEU A 983
LEU A 745
GLY C 739
1.16A15.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ILE B 724
TYR B 723
LEU B 983
LEU B 745
0.98A15.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE A 880
ALA A 854
ALA A 853
ILE A 913
LEU A 788
1.37A16.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6nur NSP12
(SARSr-CoV)		5 / 12
ALA A 253
ALA A 252
THR A 319
LEU A 316
LEU A 282
1.39A18.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6nus NSP12
(SARSr-CoV)		5 / 12
PHE A 287
TYR A 237
ALA A 250
THR A 248
ILE A 244
1.64A19.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6nus NSP12
(SARSr-CoV)		5 / 12
PHE A 287
TYR A 237
ALA A 250
THR A 248
ILE A 244
1.63A19.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
TYR L  91
PHE L  98
TYR L  96
ALA H  93
LEU L  46
1.69A13.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ALA H 125
LEU H 124
LEU L 135
PRO H 213
1.79A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
ILE H  20
GLN H   6
ALA H  78
LEU H  80
1.56A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
ILE H  20
GLN H   6
ALA H  78
LEU H  80
GLY H  24
1.70A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
TYR L  91
PHE L  98
GLY H  35
ALA H  93
ILE L  48
1.15A14.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
GLN H   6
ALA H  78
LEU H  80
ILE H  75
GLY H  24
1.62A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
GLN L  37
ALA L  84
LEU L  73
GLY L  41
PRO L  40
1.70A17.23
SO4  L 302 ( 4.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ILE L  75
TYR L  86
LEU L  78
LEU L  11
1.41A17.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
TYR H  59
ALA H  78
LEU H  80
PRO H  52
1.51A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
TYR L  86
ALA L  80
LEU L  78
LEU L  11
1.60A17.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ILE L  21
GLN L   6
LEU L  73
LEU L  47
1.73A17.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
ILE L  75
LEU L  73
LEU L  47
PRO L   8
1.56A17.23
None
None
None
SO4  L 303 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR C  97
PHE C 104
GLY B  35
ALA B  97
ILE C  54
1.18A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  93
PHE L  77
ALA L  90
LEU L  53
LEU L  79
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLN H   6
ALA H  79
LEU H  81
ILE H  76
GLY H  24
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  97
PHE L 104
GLY H  35
ALA H  97
ILE L  54
1.19A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE B  20
GLN B   6
ALA B  79
LEU B  81
GLY B  24
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
ILE L  81
TYR L  92
LEU L  84
LEU L  11
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
GLN L  43
ALA L  90
LEU L  79
GLY L  47
PRO L  46
1.78A
None
None
None
1PE  L1603 (-3.6A)
1PE  L1603 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR B  60
ALA B  79
LEU B  81
PRO B  53
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 8
ILE C  81
TYR C  92
LEU C  84
LEU C  11
1.29A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE H  20
GLN H   6
ALA H  79
LEU H  81
GLY H  24
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR H  27
GLN C  44
GLN C  43
ALA C  90
GLY C 107
1.68A
None
1PE  C 301 (-3.8A)
None
None
1PE  C 301 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLN B   6
ALA B  79
LEU B  81
ILE B  76
GLY B  24
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR B  27
GLN L  44
GLN L  43
ALA L  90
GLY L 107
1.67A
None
1PE  L1603 (-3.8A)
None
None
1PE  L1603 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  60
ALA H  79
LEU H  81
PRO H  53
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR C  97
PHE C 104
TYR C 102
ALA B  97
LEU C  52
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  97
PHE L 104
TYR L 102
ALA H  97
LEU L  52
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  97
PHE L 104
TYR L 102
ALA H  97
LEU L  52
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  97
PHE L 104
GLY H  35
ALA H  97
ILE L  54
1.12A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
TYR L  93
PHE L  77
ALA L  90
LEU L  53
LEU L  79
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
ILE H  20
GLN H   6
ALA H  79
LEU H  81
GLY H  24
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 8
ILE L  81
TYR L  92
LEU L  84
LEU L  11
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
GLN H   6
ALA H  79
LEU H  81
ILE H  76
GLY H  24
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
TYR H  60
ALA H  79
LEU H  81
PRO H  53
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR C  97
PHE C 104
GLY B  35
ALA B  97
ILE C  54
1.19A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR L  97
PHE L 104
TYR L 102
ALA H  97
LEU L  52
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
ILE L  81
TYR L  92
LEU L  84
LEU L  11
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ILE B  20
GLN B   6
ALA B  79
LEU B  81
GLY B  24
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
GLN C  43
ALA C  90
LEU C  79
GLY C  47
PRO C  46
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR B  60
ALA B  79
LEU B  81
PRO B  53
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 8
TYR H  60
ALA H  79
LEU H  81
PRO H  53
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR L  97
PHE L 104
GLY H  35
ALA H  97
ILE L  54
1.19A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
ILE H  20
GLN H   6
ALA H  79
LEU H  81
GLY H  24
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
GLN B   6
ALA B  79
LEU B  81
ILE B  76
GLY B  24
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
GLN H   6
ALA H  79
LEU H  81
ILE H  76
GLY H  24
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
GLN L  43
ALA L  90
LEU L  79
GLY L  47
PRO L  46
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 8
ILE C  81
TYR C  92
LEU C  84
LEU C  11
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR C  97
PHE C 104
TYR C 102
ALA B  97
LEU C  52
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR C  93
PHE C  77
ALA C  90
LEU C  53
LEU C  79
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
TYR L  93
PHE L  77
ALA L  90
LEU L  53
LEU L  79
1.66A
None