SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2N_A_X2NA1480

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.
1ajk CIRCULARLY PERMUTED
(1-3,1-4)-BETA-D-GLU
CAN
4-GLUCANOHYDROLASE

(Paenibacillus
macerans) 		PF00722
(Glyco_hydro_16) 		5 PHE A  27
PHE A  37
ALA A 213
ALA A  65
MET A 210
 None
 0.96A 2x2nA-1ajkA:
undetectable		 2x2nA-1ajkA:
15.71
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.
1b9h PROTEIN
(3-AMINO-5-HYDROXYBE
NZOIC ACID SYNTHASE)

(Amycolatopsis
mediterranei) 		PF01041
(DegT_DnrJ_EryC1) 		5 MET A 131
ALA A  85
ALA A  69
ALA A  65
MET A 135
 None
 1.22A 2x2nA-1b9hA:
undetectable		 2x2nA-1b9hA:
22.15
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.
1cns CHITINASE

(Hordeum vulgare) 		PF00182
(Glyco_hydro_19) 		5 PHE A  60
MET A 155
ALA A  62
ALA A  40
ALA A  36
 None
 1.20A 2x2nA-1cnsA:
undetectable		 2x2nA-1cnsA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)

(Desulfovibrio
desulfuricans) 		PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9) 		5 TYR A 190
PHE A 175
TYR A 185
PRO A 173
ALA A 377
 None
None
None
None
SF4  A   3 (-3.5A)
 1.20A 2x2nA-1e08A:
0.3		 2x2nA-1e08A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gbg (1,3-1,4)-BETA-D-GLU
CAN 4
GLUCANOHYDROLASE

(Bacillus
licheniformis) 		PF00722
(Glyco_hydro_16) 		5 PHE A 110
PHE A 120
ALA A  82
ALA A 148
MET A  79
 None
 0.99A 2x2nA-1gbgA:
undetectable		 2x2nA-1gbgA:
17.75
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.
1h14 ENDO-1,4-BETA-XYLANA
SE

(Pseudoalteromonas
haloplanktis) 		PF01270
(Glyco_hydro_8) 		5 PHE A 399
PHE A 212
TYR A 209
ALA A  11
ALA A 150
 None
 1.23A 2x2nA-1h14A:
undetectable		 2x2nA-1h14A:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iw8 ACID PHOSPHATASE

(Shimwellia
blattae) 		PF01569
(PAP2) 		5 PHE A 214
ALA A 213
ALA A 162
ALA A 158
MET A 102
 None
 1.19A 2x2nA-1iw8A:
undetectable		 2x2nA-1iw8A:
19.45
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 TYR A 715
TYR A 716
PRO A  15
ALA A  18
ALA A  88
 None
 1.10A 2x2nA-1j1wA:
undetectable		 2x2nA-1j1wA:
20.74
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.
1m7h ADENYLYLSULFATE
KINASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase) 		5 TYR A 205
PRO A 207
ALA A 208
ALA A 101
ALA A  95
 None
 1.04A 2x2nA-1m7hA:
undetectable		 2x2nA-1m7hA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n2f ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF02566
(OsmC) 		5 PRO A  77
ALA A  78
ALA A 118
ALA A 115
MET A 108
 None
 1.22A 2x2nA-1n2fA:
undetectable		 2x2nA-1n2fA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n2f ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF02566
(OsmC) 		5 PRO A  77
ALA A  78
ALA A 119
ALA A 115
MET A 108
 None
 1.09A 2x2nA-1n2fA:
undetectable		 2x2nA-1n2fA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n31 L-CYSTEINE/CYSTINE
LYASE C-DES

(Synechocystis
sp. PCC 6714) 		PF00266
(Aminotran_5) 		5 TYR A  43
MET A  42
ALA A  35
ALA A  56
THR A 276
 None
 1.23A 2x2nA-1n31A:
undetectable		 2x2nA-1n31A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qd1 FORMIMINOTRANSFERASE
-CYCLODEAMINASE

(Sus scrofa) 		PF02971
(FTCD)
PF07837
(FTCD_N) 		5 PHE A  51
ALA A  28
ALA A 108
ALA A 176
THR A 174
 None
 1.33A 2x2nA-1qd1A:
undetectable		 2x2nA-1qd1A:
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		5 MET A 285
PRO A 315
ALA A 316
ALA A 259
MET A 293
 None
 1.20A 2x2nA-1r6vA:
undetectable		 2x2nA-1r6vA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
MET A  79
ALA A 256
THR A 260
MET A 325
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.4A)
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
None
 1.04A 2x2nA-1x8vA:
37.7		 2x2nA-1x8vA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
MET A  79
PHE A  83
ALA A 256
THR A 260
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
HEM  A 470 (-3.6A)
 1.24A 2x2nA-1x8vA:
37.7		 2x2nA-1x8vA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
PHE A  78
MET A  79
ALA A 256
MET A 325
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.9A)
ESL  A 471 ( 4.4A)
ESL  A 471 ( 3.4A)
None
 1.08A 2x2nA-1x8vA:
37.7		 2x2nA-1x8vA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1x8v CYTOCHROME P450 51

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 TYR A  76
PHE A  78
MET A  79
PHE A  83
ALA A 256
 ESL  A 471 ( 3.8A)
ESL  A 471 ( 4.9A)
ESL  A 471 ( 4.4A)
None
ESL  A 471 ( 3.4A)
 1.25A 2x2nA-1x8vA:
37.7		 2x2nA-1x8vA:
31.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2deo 441AA LONG
HYPOTHETICAL NFED
PROTEIN

(Pyrococcus
horikoshii) 		PF00574
(CLP_protease) 		5 PHE A 143
ALA A 119
ALA A  96
THR A  62
MET A  70
 None
 1.19A 2x2nA-2deoA:
undetectable		 2x2nA-2deoA:
19.09
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 PHE A 544
TYR A 547
PRO A 518
ALA A 731
ALA A 733
 None
 1.16A 2x2nA-2ecfA:
undetectable		 2x2nA-2ecfA:
22.35
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 141
PRO A 187
ALA A 300
ALA A 302
THR A 248
 None
 1.29A 2x2nA-2f00A:
undetectable		 2x2nA-2f00A:
21.54
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.
2fe8 REPLICASE
POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08715
(Viral_protease) 		5 TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
 None
 1.28A 2x2nA-2fe8A:
undetectable		 2x2nA-2fe8A:
19.71
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 PRO A 115
ALA A 265
ALA A 535
ALA A 531
THR A 528
 None
 1.18A 2x2nA-2gq3A:
undetectable		 2x2nA-2gq3A:
21.16
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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 PRO J 463
ALA J 465
ALA I 581
ALA I 579
THR I 572
 None
 1.33A 2x2nA-2voyJ:
undetectable		 2x2nA-2voyJ:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 PHE A 166
PRO A 297
ALA A 298
ALA A 273
ALA A 198
 None
 1.24A 2x2nA-2w7yA:
undetectable		 2x2nA-2w7yA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x66 PRNB

(Pseudomonas
fluorescens) 		PF08933
(DUF1864) 		5 MET A 185
ALA A 311
ALA A 150
ALA A 154
THR A 158
 None
 1.30A 2x2nA-2x66A:
undetectable		 2x2nA-2x66A:
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.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris) 		PF06180
(CbiK) 		5 PRO A 140
ALA A 141
ALA A 217
ALA A 222
THR A 230
 CL  A1287 ( 4.8A)
CL  A1287 (-4.0A)
None
None
None
 1.32A 2x2nA-2xvxA:
undetectable		 2x2nA-2xvxA:
20.42
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.
3cr7 ADENYLYL-SULFATE
KINASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase) 		5 TYR A 205
PRO A 207
ALA A 208
ALA A 101
ALA A  95
 None
 1.24A 2x2nA-3cr7A:
undetectable		 2x2nA-3cr7A:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6e BETA-GLUCANASE

(Bacillus
licheniformis) 		PF00722
(Glyco_hydro_16) 		5 PHE A  97
PHE A 107
ALA A  69
ALA A 135
MET A  66
 None
 1.00A 2x2nA-3d6eA:
undetectable		 2x2nA-3d6eA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 TYR A 564
ALA A  31
ALA A  75
ALA A  72
THR A  68
 None
 0.98A 2x2nA-3efmA:
undetectable		 2x2nA-3efmA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		5 PRO A 131
ALA A 134
ALA A 828
ALA A 830
THR A 895
 None
 1.23A 2x2nA-3egwA:
undetectable		 2x2nA-3egwA:
16.37
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.
3g6i PUTATIVE OUTER
MEMBRANE PROTEIN,
PART OF CARBOHYDRATE
BINDING COMPLEX

(Bacteroides
thetaiotaomicron) 		PF12875
(DUF3826) 		5 TYR A  66
PRO A 116
ALA A 117
ALA A 176
ALA A 173
 None
 1.15A 2x2nA-3g6iA:
undetectable		 2x2nA-3g6iA:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kdw PUTATIVE SUGAR
BINDING PROTEIN

(Bacteroides
vulgatus) 		PF12875
(DUF3826) 		5 TYR A  67
PRO A 116
ALA A 117
ALA A 176
ALA A 173
 None
 1.16A 2x2nA-3kdwA:
undetectable		 2x2nA-3kdwA:
18.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
ALA A 287
ALA A 291
THR A 295
MET A 360
 None
VNF  A 490 ( 3.8A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 0.75A 2x2nA-3kswA:
39.2		 2x2nA-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
PHE A 110
ALA A 212
ALA A 291
THR A 295
 None
VNF  A 490 ( 3.8A)
None
None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 1.15A 2x2nA-3kswA:
39.2		 2x2nA-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
 None
VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 1.06A 2x2nA-3kswA:
39.2		 2x2nA-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 TYR A 103
MET A 106
TYR A 116
ALA A 212
ALA A 291
 None
VNF  A 490 ( 3.8A)
VNF  A 490 (-4.6A)
None
VNF  A 490 ( 4.0A)
 0.98A 2x2nA-3kswA:
39.2		 2x2nA-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
MET A 106
TYR A 116
ALA A 287
ALA A 291
MET A 360
 None
VNF  A 490 ( 3.8A)
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
None
 0.93A 2x2nA-3kswA:
39.2		 2x2nA-3kswA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		12 TYR A 102
PHE A 104
MET A 105
PHE A 109
TYR A 115
PRO A 209
ALA A 210
ALA A 286
ALA A 290
THR A 294
MET A 359
MET A 459
 HEM  A 481 (-4.7A)
None
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
None
TPF  A 490 (-4.7A)
 0.52A 2x2nA-3l4dA:
58.7		 2x2nA-3l4dA:
75.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		7 TYR A 102
PHE A 104
MET A 105
PRO A 209
ALA A 210
ALA A 286
MET A 359
 HEM  A 481 (-4.7A)
None
TPF  A 490 ( 4.0A)
None
None
TPF  A 490 (-3.4A)
None
 1.31A 2x2nA-3l4dA:
58.7		 2x2nA-3l4dA:
75.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		7 TYR A 102
PHE A 104
TYR A 115
PRO A 209
ALA A 210
ALA A 290
MET A 359
 HEM  A 481 (-4.7A)
None
HEM  A 481 ( 4.9A)
None
None
TPF  A 490 ( 3.4A)
None
 1.42A 2x2nA-3l4dA:
58.7		 2x2nA-3l4dA:
75.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l5h INTERLEUKIN-6
RECEPTOR SUBUNIT
BETA

(Homo sapiens) 		PF00041
(fn3)
PF06328
(Lep_receptor_Ig)
PF09240
(IL6Ra-bind) 		5 TYR A 536
PHE A 586
TYR A 566
ALA A 571
ALA A 513
 None
 1.32A 2x2nA-3l5hA:
undetectable		 2x2nA-3l5hA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3loq UNIVERSAL STRESS
PROTEIN

(Archaeoglobus
fulgidus) 		PF00582
(Usp) 		5 TYR A 134
PHE A 102
ALA A   0
ALA A 162
ALA A 166
 None
 1.17A 2x2nA-3loqA:
undetectable		 2x2nA-3loqA:
20.71
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		5 PHE A 860
TYR A 810
ALA A 758
ALA A 864
ALA A 824
 None
 1.11A 2x2nA-3m62A:
1.3		 2x2nA-3m62A:
17.96
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.
3mdn GLUTAMINE
AMINOTRANSFERASE
CLASS-II DOMAIN
PROTEIN

(Ruegeria
pomeroyi) 		PF13230
(GATase_4) 		5 MET A 242
PHE A 255
ALA A 250
ALA A 164
ALA A 162
 None
 1.30A 2x2nA-3mdnA:
undetectable		 2x2nA-3mdnA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 PHE A 203
PRO A 271
ALA A 270
ALA A 173
ALA A 175
 None
 1.13A 2x2nA-3menA:
undetectable		 2x2nA-3menA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on6 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 MET A 408
PHE A 412
TYR A 357
PRO A 404
MET A 437
 None
PEG  A 495 (-4.6A)
PEG  A 495 (-4.7A)
None
None
 1.14A 2x2nA-3on6A:
undetectable		 2x2nA-3on6A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on6 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 MET A 408
PHE A 412
TYR A 357
PRO A 404
THR A  83
 None
PEG  A 495 (-4.6A)
PEG  A 495 (-4.7A)
None
None
 1.30A 2x2nA-3on6A:
undetectable		 2x2nA-3on6A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 MET A 414
PHE A 418
TYR A 363
PRO A 410
MET A 443
 None
 1.14A 2x2nA-3p2cA:
undetectable		 2x2nA-3p2cA:
21.03
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 MET A 414
PHE A 418
TYR A 363
PRO A 410
THR A  85
 None
 1.32A 2x2nA-3p2cA:
undetectable		 2x2nA-3p2cA:
21.03
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.
3ppl ASPARTATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF12897
(Aminotran_MocR) 		5 TYR A 302
PHE A 303
ALA A 306
ALA A 265
ALA A 263
 None
 1.10A 2x2nA-3pplA:
undetectable		 2x2nA-3pplA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qe7 URACIL PERMEASE

(Escherichia
coli) 		PF00860
(Xan_ur_permease) 		5 PHE A  73
PRO A  43
ALA A  44
ALA A 140
ALA A 144
 URA  A 430 (-3.4A)
None
None
None
None
 1.00A 2x2nA-3qe7A:
undetectable		 2x2nA-3qe7A:
23.02
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.
3qta CHEMOTAXIS PROTEIN
CHEC

(Haloarcula
marismortui) 		PF13690
(CheX) 		5 PHE A  79
ALA A  25
ALA A  84
ALA A  88
THR A  92
 None
 0.69A 2x2nA-3qtaA:
undetectable		 2x2nA-3qtaA:
20.59
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.
3qta CHEMOTAXIS PROTEIN
CHEC

(Haloarcula
marismortui) 		PF13690
(CheX) 		5 PHE A  79
ALA A  37
ALA A  84
ALA A  88
THR A  92
 None
 1.13A 2x2nA-3qtaA:
undetectable		 2x2nA-3qtaA:
20.59
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 TYR A 171
PRO A 231
ALA A 214
ALA A 160
ALA A 164
 None
 0.97A 2x2nA-3r9uA:
undetectable		 2x2nA-3r9uA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PRO A 247
ALA A 248
ALA A 305
ALA A 309
THR A 315
 SO4  A 358 (-3.8A)
SO4  A 358 (-3.1A)
None
None
None
 1.31A 2x2nA-3ritA:
undetectable		 2x2nA-3ritA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rqb UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF13622
(4HBT_3) 		5 PHE A 109
PHE A 212
ALA A 183
ALA A  43
THR A  13
 None
 1.30A 2x2nA-3rqbA:
undetectable		 2x2nA-3rqbA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 PRO A 537
ALA A 588
ALA A 602
ALA A 604
THR A 567
 None
 1.20A 2x2nA-3ttfA:
undetectable		 2x2nA-3ttfA:
18.99
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.
3vnd TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Shewanella
frigidimarina) 		PF00290
(Trp_syntA) 		5 PHE A 140
PHE A 115
PRO A 139
ALA A 138
ALA A 109
 None
 1.29A 2x2nA-3vndA:
undetectable		 2x2nA-3vndA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wa5 TSE3-SPECIFIC
IMMUNITY PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 PHE B  42
PHE B  24
ALA B 137
ALA B 133
THR B 131
 None
 1.34A 2x2nA-3wa5B:
undetectable		 2x2nA-3wa5B:
15.37
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.
4aco CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
A

(Saccharomyces
cerevisiae) 		PF16787
(NDC10_II) 		5 TYR A 342
PHE A 338
PHE A 205
PRO A 333
THR A 285
 None
 1.32A 2x2nA-4acoA:
undetectable		 2x2nA-4acoA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b5x 4-HYDROXY-2-OXO-HEPT
ANE-1,7-DIOATE
ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 PHE A 229
PRO A 173
ALA A 174
ALA A 208
MET A  94
 None
 1.23A 2x2nA-4b5xA:
undetectable		 2x2nA-4b5xA:
17.75
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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 PHE A 298
PRO A 166
ALA A 167
ALA A 269
THR A 184
 None
 1.31A 2x2nA-4c1tA:
undetectable		 2x2nA-4c1tA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PHE A 851
PRO A 924
ALA A 923
ALA A 819
ALA A 821
 None
 1.19A 2x2nA-4cbyA:
undetectable		 2x2nA-4cbyA:
22.16
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.
4dgw PRE-MRNA-SPLICING
FACTOR PRP9

(Saccharomyces
cerevisiae) 		PF12171
(zf-C2H2_jaz)
PF16837
(SF3A3)
PF16958
(PRP9_N) 		5 TYR A 327
PHE A 245
TYR A 324
ALA A 253
ALA A 255
 None
 1.25A 2x2nA-4dgwA:
undetectable		 2x2nA-4dgwA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzt AQUALYSIN-1

(Thermus
aquaticus) 		PF00082
(Peptidase_S8) 		5 PHE A  49
PRO A 226
ALA A 224
ALA A  53
ALA A  93
 None
 1.28A 2x2nA-4dztA:
undetectable		 2x2nA-4dztA:
18.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		11 PHE A 105
MET A 106
PHE A 110
TYR A 116
PRO A 210
ALA A 211
ALA A 287
ALA A 291
THR A 295
MET A 360
MET A 460
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 (-4.5A)
VNT  A 502 (-4.9A)
 0.77A 2x2nA-4g3jA:
60.1		 2x2nA-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		6 PHE A 105
MET A 106
PRO A 210
ALA A 211
ALA A 287
MET A 360
 VNT  A 502 (-4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.5A)
 1.33A 2x2nA-4g3jA:
60.1		 2x2nA-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 PHE A 110
TYR A 103
ALA A 287
ALA A 291
THR A 295
 VNT  A 502 (-4.4A)
VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
 0.73A 2x2nA-4g3jA:
60.1		 2x2nA-4g3jA:
95.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		7 TYR A 103
PHE A 105
TYR A 116
PRO A 210
ALA A 211
THR A 295
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 (-4.8A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 4.8A)
None
VNT  A 502 ( 3.2A)
VNT  A 502 (-4.9A)
 0.98A 2x2nA-4g3jA:
60.1		 2x2nA-4g3jA:
95.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		5 MET A 135
PHE A 389
ALA A 296
ALA A 304
ALA A 308
 None
 1.33A 2x2nA-4gb7A:
undetectable		 2x2nA-4gb7A:
22.37
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 141
PRO A 187
ALA A 300
ALA A 302
THR A 248
 None
 1.24A 2x2nA-4hv4A:
undetectable		 2x2nA-4hv4A:
21.71
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.
4iv6 ACYL-COA
DEHYDROGENASE FADE3

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 PHE A 231
ALA A 176
ALA A 164
ALA A 121
MET A 134
 None
 1.32A 2x2nA-4iv6A:
undetectable		 2x2nA-4iv6A:
21.72
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 PRO A 207
ALA A 206
ALA A 218
THR A 224
MET A 246
 None
 1.10A 2x2nA-4jgaA:
undetectable		 2x2nA-4jgaA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		5 PHE A 349
PRO A 348
ALA A 117
ALA A  33
THR A 389
 None
 1.23A 2x2nA-4kemA:
undetectable		 2x2nA-4kemA:
20.45
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 TYR A 660
PHE A 656
PHE A 585
ALA A 703
ALA A 690
 None
 1.12A 2x2nA-4mz0A:
undetectable		 2x2nA-4mz0A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 PHE B 949
TYR A 817
ALA A 800
ALA B 647
MET A 822
 None
 1.26A 2x2nA-4qiwB:
undetectable		 2x2nA-4qiwB:
17.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		6 TYR A 131
PHE A 139
TYR A 145
ALA A 311
THR A 315
MET A 381
 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)
VFV  A 600 (-3.8A)
 1.12A 2x2nA-4uhiA:
38.2		 2x2nA-4uhiA:
35.27
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.
4wh3 N-ACETYLHEXOSAMINE
1-KINASE

(Bifidobacterium
longum) 		PF01636
(APH) 		5 TYR A 102
PHE A  15
ALA A  92
ALA A  98
THR A  52
 None
 1.30A 2x2nA-4wh3A:
undetectable		 2x2nA-4wh3A:
21.71
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.
4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 MET A 131
PHE A 108
TYR A 128
ALA A 107
ALA A 103
 None
 0.99A 2x2nA-4wlhA:
undetectable		 2x2nA-4wlhA:
21.66
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.
4y5r METHYLAMINE
UTILIZATION PROTEIN
MAUG

(Paracoccus
denitrificans) 		PF03150
(CCP_MauG) 		5 PHE A  41
PRO A  37
ALA A  38
ALA A 161
ALA A  11
 None
 1.30A 2x2nA-4y5rA:
undetectable		 2x2nA-4y5rA:
20.53
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 MET B 161
PHE B 170
TYR B 164
ALA B 153
ALA B 131
 None
 1.17A 2x2nA-5a8rB:
undetectable		 2x2nA-5a8rB:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eov 16S/23S RRNA
(CYTIDINE-2'-O)-METH
YLTRANSFERASE TLYA

(Mycobacterium
tuberculosis) 		PF01728
(FtsJ) 		5 PHE A 240
ALA A 227
ALA A  89
ALA A  91
THR A  93
 None
 1.22A 2x2nA-5eovA:
undetectable		 2x2nA-5eovA:
18.76
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.
5ey9 LONG-CHAIN-FATTY-ACI
D--AMP LIGASE FADD32

(Mycobacterium
marinum) 		PF00501
(AMP-binding) 		5 TYR A 342
PRO A 281
ALA A 284
ALA A 345
THR A 186
 5SV  A 701 (-4.8A)
None
None
5SV  A 701 (-4.7A)
None
 1.23A 2x2nA-5ey9A:
undetectable		 2x2nA-5ey9A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 PRO A 356
ALA A 357
ALA A 345
ALA A 343
MET A 283
 None
 1.27A 2x2nA-5h7dA:
undetectable		 2x2nA-5h7dA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 TYR A 126
PHE A 241
TYR A 140
PRO A 238
THR A 318
 VOR  A 602 ( 3.8A)
None
HEM  A 601 (-4.3A)
None
HEM  A 601 (-3.4A)
 1.31A 2x2nA-5hs1A:
39.3		 2x2nA-5hs1A:
29.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 PHE A 195
PHE A 168
ALA A 151
ALA A 386
ALA A 388
 None
 1.24A 2x2nA-5hvfA:
undetectable		 2x2nA-5hvfA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		5 PHE A 174
PRO A 234
ALA A 142
ALA A 144
THR A 105
 None
 1.20A 2x2nA-5ji5A:
undetectable		 2x2nA-5ji5A:
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.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		5 TYR A 127
PHE A 135
PRO A 239
THR A 319
MET A 512
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
1YN  A 602 ( 4.8A)
HEM  A 601 ( 3.5A)
1YN  A 602 (-3.5A)
 1.29A 2x2nA-5jlcA:
38.9		 2x2nA-5jlcA:
29.74
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.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		6 TYR A 127
PHE A 242
TYR A 141
PRO A 239
THR A 319
MET A 512
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.5A)
HEM  A 601 (-4.2A)
1YN  A 602 ( 4.8A)
HEM  A 601 ( 3.5A)
1YN  A 602 (-3.5A)
 1.31A 2x2nA-5jlcA:
38.9		 2x2nA-5jlcA:
29.74
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		5 MET A 188
PHE A 190
ALA A 276
ALA A 280
MET A 310
 NRF  A 601 ( 4.2A)
None
None
NRF  A 601 (-3.4A)
NRF  A 601 ( 4.6A)
 1.30A 2x2nA-5mogA:
undetectable		 2x2nA-5mogA:
24.08
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.
5wsl KERATINASE

(Meiothermus
taiwanensis) 		no annotation 5 PHE A  49
PRO A 228
ALA A 226
ALA A  53
ALA A  95
 None
 1.29A 2x2nA-5wslA:
undetectable		 2x2nA-5wslA:
20.54
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.
5y51 -

(-) 		no annotation 5 PHE A 247
TYR A 100
PRO A 251
ALA A  88
ALA A 189
 None
 1.28A 2x2nA-5y51A:
undetectable		 2x2nA-5y51A:
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.
5z6o PROTEASE

(Penicillium
cyclopium) 		no annotation 5 PHE A  52
PRO A 232
ALA A 230
ALA A  56
ALA A  96
 None
 1.26A 2x2nA-5z6oA:
undetectable		 2x2nA-5z6oA:
9.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zov -

(-) 		no annotation 5 PHE A 370
PRO A 180
ALA A 183
ALA A 416
MET A 177
 None
 1.26A 2x2nA-5zovA:
undetectable		 2x2nA-5zovA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 9 TYR A 107
PHE A 109
MET A 110
PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
MET A 362
 TPF  A 506 (-4.2A)
None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
None
 1.19A 2x2nA-6ay4A:
45.6		 2x2nA-6ay4A:
35.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
TYR A 120
PRO A 213
ALA A 293
MET A 362
 TPF  A 506 (-4.2A)
None
None
TPF  A 506 ( 3.2A)
None
 1.28A 2x2nA-6ay4A:
45.6		 2x2nA-6ay4A:
35.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
TYR A 120
PRO A 213
THR A 297
MET A 362
 TPF  A 506 (-4.2A)
None
None
HEM  A 501 (-3.4A)
None
 0.92A 2x2nA-6ay4A:
45.6		 2x2nA-6ay4A:
35.77
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 PHE A 136
ALA A 137
ALA A  63
ALA A  65
THR A  24
 None
 1.25A 2x2nA-6cipA:
undetectable		 2x2nA-6cipA:
9.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gsa -

(-) 		no annotation 5 TYR E 342
PHE E 338
PHE E 205
PRO E 333
THR E 285
 None
 1.32A 2x2nA-6gsaE:
undetectable		 2x2nA-6gsaE:
undetectable