SIMILAR PATTERNS OF AMINO ACIDS FOR 3KCX_A_CQLA1_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score 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.
1mn6 POLYKETIDE SYNTHASE
IV

(Streptomyces
venezuelae) 		PF00975
(Thioesterase) 		5 LEU A 152
HIS A 182
ASP A 256
HIS A 254
TRP A 255
 None
 1.34A 3kcxA-1mn6A:
undetectable		 3kcxA-1mn6A:
21.08
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.
1x42 HYPOTHETICAL PROTEIN
PH0459

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		5 LEU A  42
THR A  22
HIS A  95
HIS A  91
ILE A  26
 None
 1.42A 3kcxA-1x42A:
undetectable		 3kcxA-1x42A:
23.67
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.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF01238
(PMI_typeI) 		5 LEU A 180
THR A  95
HIS A  98
ILE A 169
HIS A 175
 None
ACY  A 506 ( 3.0A)
GOL  A 700 ( 4.2A)
None
GOL  A 700 (-4.1A)
 1.43A 3kcxA-1zx5A:
3.9		 3kcxA-1zx5A:
22.28
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 605
LEU A 609
THR A 705
HIS A 661
ILE A 707
 None
 1.33A 3kcxA-2e8yA:
undetectable		 3kcxA-2e8yA:
17.38
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.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		5 LEU A 132
HIS A 143
ASP A 145
HIS A 227
TRP A 243
 None
ZN  A1252 ( 3.3A)
ZN  A1252 ( 2.4A)
ZN  A1252 ( 3.3A)
PD2  A1254 (-4.1A)
 0.95A 3kcxA-2jigA:
8.3		 3kcxA-2jigA:
22.57
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.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		5 TYR A 134
LEU A 132
HIS A 143
HIS A 227
TRP A 243
 PD2  A1254 (-4.5A)
None
ZN  A1252 ( 3.3A)
ZN  A1252 ( 3.3A)
PD2  A1254 (-4.1A)
 1.32A 3kcxA-2jigA:
8.3		 3kcxA-2jigA:
22.57
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.
2mhr MYOHEMERYTHRIN

(Themiste
hennahi) 		PF01814
(Hemerythrin) 		5 TYR A   8
HIS A  25
ASP A 111
HIS A  54
ILE A  28
 None
FEO  A 119 ( 3.4A)
FEO  A 119 ( 2.5A)
FEO  A 119 ( 3.3A)
AZI  A 120 (-4.6A)
 1.47A 3kcxA-2mhrA:
undetectable		 3kcxA-2mhrA:
16.67
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.
2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A

(Homo sapiens) 		PF02373
(JmjC) 		6 LEU A 201
THR A 209
HIS A 212
ASP A 214
ILE A 278
HIS A 284
 None
AKG  A 701 (-3.1A)
AKG  A 701 ( 3.5A)
FE2  A 600 ( 2.1A)
None
FE2  A 600 ( 3.4A)
 0.90A 3kcxA-2yu1A:
15.9		 3kcxA-2yu1A:
21.79
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.
2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A

(Homo sapiens) 		PF02373
(JmjC) 		6 THR A 209
HIS A 212
ASP A 214
LYS A 229
ILE A 278
HIS A 284
 AKG  A 701 (-3.1A)
AKG  A 701 ( 3.5A)
FE2  A 600 ( 2.1A)
AKG  A 701 (-2.9A)
None
FE2  A 600 ( 3.4A)
 0.95A 3kcxA-2yu1A:
15.9		 3kcxA-2yu1A:
21.79
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.
3al5 JMJC
DOMAIN-CONTAINING
PROTEIN C2ORF60

(Homo sapiens) 		PF13621
(Cupin_8) 		5 HIS A 160
ASP A 162
LYS A 175
ILE A 229
HIS A 235
 None
 0.52A 3kcxA-3al5A:
22.4		 3kcxA-3al5A:
25.48
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.
3al5 JMJC
DOMAIN-CONTAINING
PROTEIN C2ORF60

(Homo sapiens) 		PF13621
(Cupin_8) 		5 TYR A 106
HIS A 160
ASP A 162
ILE A 229
HIS A 235
 None
 0.97A 3kcxA-3al5A:
22.4		 3kcxA-3al5A:
25.48
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.
3bkn BACTERIOFERRITIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		5 TYR A  71
LEU A  19
THR A  59
ILE A 123
ILE A  58
 None
 1.48A 3kcxA-3bknA:
undetectable		 3kcxA-3bknA:
18.56
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.
3ch2 SERINE-REPEAT
ANTIGEN PROTEIN

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		5 TYR X 663
LEU X 622
THR X 595
ILE X 648
ILE X 598
 None
 1.42A 3kcxA-3ch2X:
undetectable		 3kcxA-3ch2X:
19.35
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.
3dkq PKHD-TYPE
HYDROXYLASE
SBAL_3634

(Shewanella
baltica) 		PF13640
(2OG-FeII_Oxy_3) 		5 TYR A  87
HIS A  96
ASP A  98
HIS A 157
TRP A 173
 None
NI  A 500 (-3.4A)
NI  A 500 ( 2.4A)
NI  A 500 ( 3.4A)
None
 1.20A 3kcxA-3dkqA:
7.4		 3kcxA-3dkqA:
21.04
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.
3itq PROLYL
4-HYDROXYLASE, ALPHA
SUBUNIT DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13640
(2OG-FeII_Oxy_3) 		5 LEU A 116
HIS A 127
ASP A 129
HIS A 193
TRP A 209
 None
GOL  A 968 (-4.4A)
GOL  A 968 (-2.8A)
GOL  A 968 (-4.1A)
GOL  A 968 (-4.4A)
 1.01A 3kcxA-3itqA:
7.8		 3kcxA-3itqA:
19.58
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.
3itq PROLYL
4-HYDROXYLASE, ALPHA
SUBUNIT DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13640
(2OG-FeII_Oxy_3) 		5 TYR A 118
LEU A 116
HIS A 127
HIS A 193
TRP A 209
 None
None
GOL  A 968 (-4.4A)
GOL  A 968 (-4.1A)
GOL  A 968 (-4.4A)
 1.45A 3kcxA-3itqA:
7.8		 3kcxA-3itqA:
19.58
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.
3k3n PHD FINGER PROTEIN 8

(Homo sapiens) 		PF02373
(JmjC) 		5 LEU A 236
HIS A 247
ASP A 249
ILE A 313
HIS A 319
 None
FE2  A   1 (-3.4A)
FE2  A   1 (-2.5A)
None
FE2  A   1 (-3.3A)
 0.72A 3kcxA-3k3nA:
17.5		 3kcxA-3k3nA:
22.39
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.
3k3n PHD FINGER PROTEIN 8

(Homo sapiens) 		PF02373
(JmjC) 		6 THR A 244
HIS A 247
ASP A 249
LYS A 264
ILE A 313
HIS A 319
 None
FE2  A   1 (-3.4A)
FE2  A   1 (-2.5A)
None
None
FE2  A   1 (-3.3A)
 1.00A 3kcxA-3k3nA:
17.5		 3kcxA-3k3nA:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kcx HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA
INHIBITOR

(Homo sapiens) 		PF13621
(Cupin_8) 		10 TYR A 145
LEU A 188
THR A 196
HIS A 199
ASP A 201
LYS A 214
ILE A 273
HIS A 279
ILE A 281
TRP A 296
 None
CQL  A   1 (-4.7A)
CQL  A   1 (-3.8A)
FE2  A1350 ( 3.2A)
FE2  A1350 (-2.5A)
CQL  A   1 (-3.6A)
CQL  A   1 (-4.8A)
CQL  A   1 ( 3.2A)
CQL  A   1 (-3.4A)
CQL  A   1 (-4.7A)
 0.02A 3kcxA-3kcxA:
54.5		 3kcxA-3kcxA:
100.00
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.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 TYR A 150
HIS A 159
ASP A 161
HIS A 227
TRP A 244
 None
FE  A 701 (-3.3A)
FE  A 701 (-2.5A)
FE  A 701 (-3.4A)
None
 1.24A 3kcxA-3kt4A:
9.4		 3kcxA-3kt4A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kv4 PHD FINGER PROTEIN 8

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		7 LEU A 236
THR A 244
HIS A 247
ASP A 249
LYS A 264
ILE A 313
HIS A 319
 OGA  A5798 ( 4.8A)
OGA  A5798 (-3.4A)
FE2  A 450 ( 3.4A)
FE2  A 450 ( 2.5A)
OGA  A5798 (-2.8A)
None
FE2  A 450 ( 3.4A)
 0.98A 3kcxA-3kv4A:
16.7		 3kcxA-3kv4A:
20.75
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.
3kv6 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1D

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		6 LEU A 271
THR A 279
HIS A 282
ASP A 284
LYS A 299
HIS A 354
 AKG  A 702 ( 4.7A)
AKG  A 702 (-4.2A)
FE2  A 491 ( 3.6A)
FE2  A 491 ( 2.6A)
AKG  A 702 (-3.6A)
FE2  A 491 (-3.4A)
 0.93A 3kcxA-3kv6A:
15.2		 3kcxA-3kv6A:
21.15
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		5 THR A 184
HIS A 187
ASP A 189
LYS A 204
HIS A 273
 None
FE  A 601 (-3.9A)
FE  A 601 (-3.3A)
None
FE  A 601 (-3.7A)
 0.74A 3kcxA-3ld8A:
16.2		 3kcxA-3ld8A:
26.22
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		5 TYR A 131
THR A 184
HIS A 187
ASP A 189
HIS A 273
 None
None
FE  A 601 (-3.9A)
FE  A 601 (-3.3A)
FE  A 601 (-3.7A)
 1.24A 3kcxA-3ld8A:
16.2		 3kcxA-3ld8A:
26.22
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.
3n9o PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF02373
(JmjC) 		5 LEU A 484
HIS A 495
ASP A 497
ILE A 561
HIS A 567
 None
FE2  A   1 ( 3.3A)
FE2  A   1 ( 2.6A)
None
FE2  A   1 ( 3.3A)
 0.89A 3kcxA-3n9oA:
16.3		 3kcxA-3n9oA:
20.37
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.
3n9o PUTATIVE
UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF02373
(JmjC) 		6 LEU A 484
THR A 492
HIS A 495
ASP A 497
LYS A 512
HIS A 567
 None
OGA  A   4 (-3.7A)
FE2  A   1 ( 3.3A)
FE2  A   1 ( 2.6A)
OGA  A   4 (-3.5A)
FE2  A   1 ( 3.3A)
 0.89A 3kcxA-3n9oA:
16.3		 3kcxA-3n9oA:
20.37
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.
3on7 OXIDOREDUCTASE,
IRON/ASCORBATE
FAMILY

(Shewanella
oneidensis) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 TYR A 156
LEU A 154
HIS A 173
ASP A 175
HIS A 230
 None
 1.32A 3kcxA-3on7A:
9.7		 3kcxA-3on7A:
23.28
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.
3pua PHD FINGER PROTEIN 2

(Homo sapiens) 		PF02373
(JmjC) 		6 LEU A 238
THR A 246
HIS A 249
ASP A 251
LYS A 266
ILE A 315
 OGA  A 454 ( 3.8A)
OGA  A 454 (-3.8A)
NI  A   2 ( 3.3A)
NI  A   2 ( 2.5A)
OGA  A 454 (-3.0A)
None
 0.90A 3kcxA-3puaA:
17.1		 3kcxA-3puaA:
23.13
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.
3pua PHD FINGER PROTEIN 2

(Homo sapiens) 		PF02373
(JmjC) 		5 LEU A 238
THR A 323
HIS A 249
ASP A 251
ILE A 315
 OGA  A 454 ( 3.8A)
OGA  A 454 (-2.9A)
NI  A   2 ( 3.3A)
NI  A   2 ( 2.5A)
None
 1.23A 3kcxA-3puaA:
17.1		 3kcxA-3puaA:
23.13
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.
3u78 LYSINE-SPECIFIC
DEMETHYLASE 7

(Homo sapiens) 		PF02373
(JmjC) 		6 LEU A 271
THR A 279
HIS A 282
ASP A 284
LYS A 299
HIS A 354
 None
AKG  A 701 (-3.6A)
NI  A 702 ( 3.4A)
NI  A 702 (-2.6A)
AKG  A 701 (-3.2A)
NI  A 702 ( 3.5A)
 0.91A 3kcxA-3u78A:
16.2		 3kcxA-3u78A:
21.20
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.
3uyj LYSINE-SPECIFIC
DEMETHYLASE 8

(Homo sapiens) 		PF13621
(Cupin_8) 		7 TYR A 272
HIS A 321
ASP A 323
LYS A 336
ILE A 394
HIS A 400
TRP A 414
 AKG  A 601 (-4.7A)
NI  A 501 ( 3.2A)
NI  A 501 ( 2.4A)
AKG  A 601 (-2.6A)
None
NI  A 501 ( 3.4A)
AKG  A 601 (-4.4A)
 0.80A 3kcxA-3uyjA:
24.7		 3kcxA-3uyjA:
27.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c8d LYSINE-SPECIFIC
DEMETHYLASE 3B

(Homo sapiens) 		PF02373
(JmjC) 		5 THR A1557
HIS A1560
ASP A1562
ILE A1683
HIS A1689
 OGA  A2722 (-3.3A)
MN  A2721 ( 3.3A)
MN  A2721 ( 3.0A)
None
MN  A2721 ( 3.2A)
 0.50A 3kcxA-4c8dA:
14.3		 3kcxA-4c8dA:
19.64
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.
4nhy 2-OXOGLUTARATE AND
IRON-DEPENDENT
OXYGENASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 TYR A 146
HIS A 155
ASP A 157
HIS A 218
TRP A 236
 None
MN  A 601 (-3.5A)
MN  A 601 ( 2.5A)
MN  A 601 ( 3.4A)
None
 1.34A 3kcxA-4nhyA:
8.3		 3kcxA-4nhyA:
19.30
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.
4qkf ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB
HOMOLOG 7,
MITOCHONDRIAL

(Homo sapiens) 		PF13532
(2OG-FeII_Oxy_2) 		5 LEU A 110
HIS A 121
ASP A 123
HIS A 177
ILE A 179
 OGA  A 301 ( 4.6A)
MN  A 300 ( 3.4A)
MN  A 300 (-2.9A)
MN  A 300 ( 3.5A)
None
 1.10A 3kcxA-4qkfA:
8.9		 3kcxA-4qkfA:
22.80
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.
4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA

(Escherichia
coli;
Mus musculus) 		PF13416
(SBP_bac_8)
PF13621
(Cupin_8) 		5 THR A 175
HIS A 178
ASP A 180
LYS A 193
HIS A 277
 None
 0.67A 3kcxA-4qszA:
21.6		 3kcxA-4qszA:
19.05
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.
4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA

(Escherichia
coli;
Mus musculus) 		PF13416
(SBP_bac_8)
PF13621
(Cupin_8) 		5 TYR A 127
THR A 175
HIS A 178
ASP A 180
HIS A 277
 None
 1.29A 3kcxA-4qszA:
21.6		 3kcxA-4qszA:
19.05
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.
4qu2 JMJC
DOMAIN-CONTAINING
PROTEIN 7

(Mus musculus) 		PF13621
(Cupin_8) 		6 TYR A 127
THR A 175
HIS A 178
ASP A 180
HIS A 277
TRP A 291
 AKG  A 502 (-4.5A)
AKG  A 502 (-3.2A)
NI  A 501 ( 3.6A)
NI  A 501 (-3.7A)
NI  A 501 ( 3.8A)
AKG  A 502 (-4.1A)
 0.92A 3kcxA-4qu2A:
21.3		 3kcxA-4qu2A:
25.28
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.
4qu2 JMJC
DOMAIN-CONTAINING
PROTEIN 7

(Mus musculus) 		PF13621
(Cupin_8) 		6 TYR A 127
THR A 175
HIS A 178
ASP A 180
LYS A 193
HIS A 277
 AKG  A 502 (-4.5A)
AKG  A 502 (-3.2A)
NI  A 501 ( 3.6A)
NI  A 501 (-3.7A)
AKG  A 502 (-3.8A)
NI  A 501 ( 3.8A)
 0.73A 3kcxA-4qu2A:
21.3		 3kcxA-4qu2A:
25.28
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.
4qx8 LYSINE-SPECIFIC
DEMETHYLASE 2A

(Mus musculus) 		PF02373
(JmjC) 		7 LEU A 201
THR A 209
HIS A 212
ASP A 214
LYS A 229
ILE A 278
HIS A 284
 None
AKG  A 602 (-3.4A)
NI  A 601 ( 3.2A)
NI  A 601 ( 2.5A)
AKG  A 602 (-2.9A)
None
NI  A 601 ( 3.4A)
 0.91A 3kcxA-4qx8A:
15.4		 3kcxA-4qx8A:
20.39
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 LEU A 108
THR A 118
HIS A 121
ASP A 123
HIS A 210
 AKG  A 301 ( 3.7A)
AKG  A 301 (-3.2A)
FE  A 300 ( 3.3A)
FE  A 300 ( 2.5A)
FE  A 300 ( 3.3A)
 0.73A 3kcxA-5epaA:
11.1		 3kcxA-5epaA:
20.11
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.
5equ SNON,SNON

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 LEU A 114
THR A 127
HIS A 130
ASP A 132
HIS A 213
 AKG  A 301 (-4.6A)
AKG  A 301 (-3.0A)
FE  A 300 (-3.1A)
FE  A 300 (-2.2A)
FE  A 300 ( 3.2A)
 0.46A 3kcxA-5equA:
8.6		 3kcxA-5equA:
18.02
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.
5gu6 ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 44

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 LEU A 258
THR A 264
HIS A 323
ILE A 294
ILE A 265
 None
 1.17A 3kcxA-5gu6A:
undetectable		 3kcxA-5gu6A:
22.66
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.
5nfn JMJC
DOMAIN-CONTAINING
PROTEIN 7

(Homo sapiens) 		no annotation 7 TYR A 127
THR A 175
HIS A 178
ASP A 180
LYS A 193
HIS A 277
TRP A 291
 None
AKG  A 502 (-3.3A)
MN  A 501 ( 3.2A)
MN  A 501 ( 2.5A)
AKG  A 502 (-3.3A)
MN  A 501 ( 3.3A)
AKG  A 502 (-4.5A)
 0.74A 3kcxA-5nfnA:
21.7		 3kcxA-5nfnA:
undetectable
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.
5uqd DUMPY: SHORTER THAN
WILD-TYPE

(Caenorhabditis
elegans) 		no annotation 5 THR A1449
HIS A1452
ASP A1454
LYS A1526
HIS A1593
 AKG  A1701 (-3.6A)
FE2  A1702 ( 3.3A)
FE2  A1702 (-2.6A)
AKG  A1701 (-3.6A)
FE2  A1702 ( 3.3A)
 0.53A 3kcxA-5uqdA:
13.9		 3kcxA-5uqdA:
20.98
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.
5y7r IRON/ALPHA-KETOGLUTA
RATE-DEPENDENT
DIOXYGENASE ASQJ

(Aspergillus
nidulans) 		no annotation 5 LEU B 225
HIS B 134
ASP B 136
ILE B 205
HIS B 211
 None
58K  B 403 (-3.4A)
FE  B 401 (-2.6A)
None
FE  B 401 ( 3.3A)
 0.77A 3kcxA-5y7rB:
11.3		 3kcxA-5y7rB:
undetectable
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.
6dk4 FERRIC UPTAKE
REGULATION PROTEIN

(Campylobacter
jejuni) 		no annotation 5 LEU A  25
HIS A  84
ASP A  97
ILE A  95
HIS A  86
 None
MN  A 201 (-3.4A)
MN  A 201 (-2.5A)
None
MN  A 201 (-3.3A)
 1.30A 3kcxA-6dk4A:
undetectable		 3kcxA-6dk4A:
undetectable
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.
6fqc BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		no annotation 5 TYR A 131
THR A 184
HIS A 187
ASP A 189
HIS A 273
 None
None
MN  A 501 ( 3.4A)
MN  A 501 ( 2.6A)
MN  A 501 ( 3.1A)
 1.16A 3kcxA-6fqcA:
16.2		 3kcxA-6fqcA:
undetectable