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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		1x9n DNA LIGASE I
(Homo
sapiens)		5 / 12PHE A 660
GLY A 571
ALA A 622
ILE A 576
ILE A 617
None
1.10A21.79
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT
(Homo
sapiens)		5 / 12PHE A 205
GLY A 238
ALA A 240
ILE A 281
ILE A 188
None
1.39A21.07
Potential target for repurposing, i.e. matched protein structure has less than 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)		3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE
(Homo
sapiens)		5 / 12PHE A 275
GLY A  35
ALA A  38
ILE A  52
ILE A 271
None
None
None
None
NAP  A 327 (-4.9A)
1.17A22.71
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4abk POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)		5 / 12GLY A1257
ALA A1261
THR A1237
ILE A1244
ILE A1326
AR6  A2389 (-3.4A)
AR6  A2389 (-3.5A)
None
None
None
1.33A16.96
Potential target for repurposing, i.e. matched protein structure has less than 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)		4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE
(Homo
sapiens)		5 / 12TYR A 254
GLY A 201
ALA A 241
THR A 206
ILE A 261
None
1.29A24.43
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4fys AMINOPEPTIDASE N
(Homo
sapiens)		5 / 12PHE A 395
GLY A 499
ALA A 501
THR A 334
ILE A 324
None
NAG  A1010 ( 4.4A)
None
None
None
1.14A17.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		6 / 12PHE A 139
GLY A 307
ALA A 311
THR A 315
ILE A 379
MET A 487
VFV  A 580 (-4.2A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
VFV  A 600 (-4.7A)
VFV  A 580 (-3.6A)
0.97A99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		5 / 12PHE A 139
TRP A 239
THR A 315
ILE A 379
MET A 487
VFV  A 580 (-4.2A)
VFV  A 580 ( 3.5A)
HEM  A 540 (-3.6A)
VFV  A 600 (-4.7A)
VFV  A 580 (-3.6A)
1.30A99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		6 / 12TYR A 131
PHE A 139
PHE A 234
TRP A 239
THR A 315
ILE A 379
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
VFV  A 580 (-3.5A)
VFV  A 580 ( 3.5A)
HEM  A 540 (-3.6A)
VFV  A 600 (-4.7A)
1.17A99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		10 / 12TYR A 131
PHE A 139
TYR A 145
PHE A 234
GLY A 307
ALA A 311
THR A 315
ILE A 377
ILE A 379
MET A 381
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
VFV  A 580 (-3.5A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
VFV  A 600 (-4.7A)
VFV  A 600 (-3.8A)
0.77A99.77
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4yep LAMININ SUBUNIT
ALPHA-2
(Homo
sapiens)		5 / 12PHE A1329
GLY A1250
ALA A1248
ILE A1339
ILE A1275
None
None
None
None
EDO  A1405 ( 3.6A)
1.07A16.74
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4yep LAMININ SUBUNIT
ALPHA-2
(Homo
sapiens)		5 / 12PHE A1329
GLY A1251
ALA A1248
ILE A1339
ILE A1275
None
None
None
None
EDO  A1405 ( 3.6A)
1.35A16.74
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4yeq LAMININ SUBUNIT
ALPHA-2
(Homo
sapiens)		5 / 12PHE U 154
GLY U  75
ALA U  73
ILE U 164
ILE U 100
None
0.89A18.16
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		5xtc NADH DEHYDROGENASE
[UBIQUINONE] 1
SUBUNIT C2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
(Homo
sapiens)		5 / 12PHE g  67
GLY g  37
ALA i 331
THR i 334
ILE i 209
PLX  g 203 (-4.3A)
None
None
CDL  i 401 ( 4.3A)
PLX  g 201 ( 4.6A)
1.20A13.42
Potential target for repurposing, i.e. matched protein structure has less than 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)		2e3i RESTIN
(Homo
sapiens)		5 / 12PHE A  82
GLY A  78
ALA A  88
THR A 119
ILE A 117
None
1.43A11.06
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		2yek BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)		5 / 12PHE A 145
TYR A 113
GLY A 109
ILE A 162
MET A 148
None
None
None
EAM  A1188 (-3.8A)
None
1.49A15.98
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		3rdv CAP-GLY
DOMAIN-CONTAINING
LINKER PROTEIN 1
(Homo
sapiens)		5 / 12PHE A  82
GLY A  78
ALA A  88
THR A 119
ILE A 117
None
1.44A9.76
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens)		5 / 12PHE A  32
PHE A 101
ALA A 145
THR A 149
ILE A 122
None
1.48A21.49
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE
(Homo
sapiens)		5 / 12PHE A 197
PHE A 569
PHE A 162
ILE A 403
MET A 397
None
1.47A22.03
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE
(Homo
sapiens)		5 / 12TYR A 254
GLY A 201
ALA A 241
THR A 206
ILE A 261
None
1.20A24.43
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4llv 4E10 FV HEAVY CHAIN
4E10 FV LIGHT CHAIN
(Homo
sapiens)		5 / 12PHE B  71
PHE A 100
GLY A  50
ALA A  33
ILE A 100
None
1.48A12.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		5 / 12PHE A 105
PHE A 139
PHE A 234
TRP A 239
THR A 315
VFV  A 600 (-3.4A)
VFV  A 580 (-4.2A)
VFV  A 580 (-3.5A)
VFV  A 580 ( 3.5A)
HEM  A 540 (-3.6A)
1.33A99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		5 / 12PHE A 105
PHE A 139
TRP A 239
THR A 315
MET A 487
VFV  A 600 (-3.4A)
VFV  A 580 (-4.2A)
VFV  A 580 ( 3.5A)
HEM  A 540 (-3.6A)
VFV  A 580 (-3.6A)
1.27A99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		8 / 12PHE A 105
TYR A 131
PHE A 139
GLY A 307
ALA A 311
THR A 315
ILE A 377
MET A 487
VFV  A 600 (-3.4A)
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
VFV  A 580 (-3.6A)
0.78A99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		10 / 12PHE A 105
TYR A 131
PHE A 139
TYR A 145
PHE A 234
GLY A 307
ALA A 311
THR A 315
ILE A 377
MET A 381
VFV  A 600 (-3.4A)
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
VFV  A 580 (-3.5A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
VFV  A 600 (-3.8A)
0.75A99.77
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		1nkp MAX PROTEIN
MYC PROTO-ONCOGENE
PROTEIN
(Homo
sapiens)		4 / 8ILE A 942
ALA A 923
LEU A 924
LEU B 225
None
0.84A12.03
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		1w98 G1/S-SPECIFIC CYCLIN
E1
(Homo
sapiens)		4 / 8TYR B 281
GLN B 155
ALA B 154
LEU B 153
None
0.85A21.08
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		2afg ACIDIC FIBROBLAST
GROWTH FACTOR
(Homo
sapiens)		4 / 8ILE A  25
GLN A  77
ALA A  66
LEU A  65
None
0.87A17.09
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		2w3c GENERAL VESICULAR
TRANSPORT FACTOR
P115
(Homo
sapiens)		4 / 8ILE A 584
GLN A 535
ALA A 542
LEU A 543
None
0.74A20.54
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		4dgj ENTEROPEPTIDASE
CATALYTIC LIGHT
CHAIN
(Homo
sapiens)		4 / 8ILE A 111
GLN A 194
ALA A 202
LEU A 201
None
0.88A18.27
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		4r3z ARGININE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		4 / 8ILE B 404
TYR B 406
GLN B 424
LEU B 235
None
0.74A20.56
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		4 / 8ILE A 332
TYR A 334
GLN A 352
LEU A 163
None
0.86A21.43
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5eqx DESMOGLEIN-3
(Homo
sapiens)		4 / 8ILE A  34
TYR A  36
GLN A  29
ALA A  30
None
0.82A21.35
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.
3OZW_A_KKKA413_1
(FLAVOHEMOGLOBIN)		5k1h EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B
(Homo
sapiens)		4 / 8ILE B 312
TYR B 251
GLN B 272
LEU B 313
None
0.84A20.17
Potential target for repurposing, i.e. matched protein structure has less than 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)		5n4w CULLIN-2
(Homo
sapiens)		4 / 8ILE A 425
GLN A 432
ALA A 392
LEU A 391
None
0.78A18.98
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
(Homo
sapiens)		5 / 12ILE A 205
ALA A 278
LEU A 279
ILE A 264
GLY A 255
None
None
None
TPO  A 252 ( 4.9A)
None
1.09A22.27
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A
(Homo
sapiens)		5 / 12TYR A 406
LEU A 388
LEU A 374
ILE A 276
GLY A 256
None
1.14A23.56
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5fqd CASEIN KINASE I
ISOFORM ALPHA
(Homo
sapiens)		5 / 12ILE C  76
TYR C  64
ALA C  44
LEU C  57
GLY C  94
None
1.13A21.02
Potential target for repurposing, i.e. matched protein structure has less than 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)		5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12ILE A  19
ALA A 279
LEU A 280
ILE A 240
GLY A 242
None
1.03A23.08
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5tbk IMPORTIN SUBUNIT
ALPHA-3
(Homo
sapiens)		5 / 12ILE A 342
HIS A 295
GLN A 301
ALA A 304
LEU A 305
None
1.04A22.35
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5w4x UDP-GLUCOSE
6-DEHYDROGENASE
(Homo
sapiens)		5 / 12ILE A 428
TYR A 425
ALA A 332
ILE A 376
GLY A 335
None
1.13A22.63
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL
(Homo
sapiens)		5 / 12ILE J 116
ALA J 153
LEU J 155
ILE J 200
GLY J 187
None
0.87A22.53
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		2o36 THIMET
OLIGOPEPTIDASE
(Homo
sapiens)		5 / 12THR A 592
ASN A 183
ALA A 602
ARG A 247
ASN A 593
None
1.36A22.13
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		1fta FRUCTOSE-1,6-BISPHOS
PHATASE
(Homo
sapiens)		5 / 12TYR A 244
PHE A 327
ALA A 250
LEU A 275
LEU A 318
None
1.17A20.62
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3aak PROGRAMMED CELL
DEATH PROTEIN 6
(Homo
sapiens)		5 / 12ALA A 122
ALA A 118
LEU A 134
ILE A 133
LEU A 126
None
1.15A15.45
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3hhd FATTY ACID SYNTHASE
(Homo
sapiens)		5 / 12ALA A 339
THR A 325
LEU A  26
ILE A  27
LEU A 346
None
1.14A19.10
Potential target for repurposing, i.e. matched protein structure has less than 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)		3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2
(Homo
sapiens)		5 / 12TYR A 237
PHE A 523
ALA A 242
THR A 282
LEU A 444
None
1.20A21.50
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3o4o INTERLEUKIN-1
RECEPTOR ACCESSORY
PROTEIN
(Homo
sapiens)		5 / 12TYR B 101
ALA B  44
ALA B  41
LEU B  29
LEU B  48
NAG  B 340 (-4.0A)
None
None
None
None
1.03A18.99
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3
(Homo
sapiens)		5 / 12PHE A 286
PHE A 295
ALA A 265
ILE A 131
LEU A 110
None
1.00A21.29
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562
(Escherichia
coli;
Homo
sapiens)		5 / 12ALA A1100
THR A1097
LEU A1068
ILE A1072
LEU A1010
None
1.19A21.98
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		4ljx AT-RICH INTERACTIVE
DOMAIN-CONTAINING
PROTEIN 3A
(Homo
sapiens)		5 / 12PHE A 249
PHE A 244
LEU A 270
ILE A 264
LEU A 232
None
1.00A15.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		5 / 12TYR A 131
PHE A 139
TYR A 145
ALA A 311
MET A 381
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
VFV  A 600 (-3.8A)
0.79A39.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)		5 / 12TYR A 131
PHE A 139
TYR A 145
ALA A 311
THR A 315
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
0.60A39.74