SIMILAR PATTERNS OF AMINO ACIDS FOR 5HIK_A_SAMA301_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.
1a40 PHOSPHATE-BINDING
PERIPLASMIC PROTEIN
PRECURSOR

(Escherichia
coli) 		PF12849
(PBP_like_2) 		5 GLY A 176
GLY A 173
TRP A 168
GLY A 140
SER A 142
 None
None
None
PO4  A 322 ( 3.4A)
None
 1.12A 5hikA-1a40A:
undetectable		 5hikA-1a40A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ASN A  85
GLY A  95
SER A  96
ASP A 150
GLY A  83
 None
 1.18A 5hikA-1bf2A:
undetectable		 5hikA-1bf2A:
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 GLY A  21
GLY A 176
SER A 177
GLY A 382
SER A 380
 None
ADP  A4000 (-3.2A)
CL  A4012 ( 4.1A)
None
None
 1.03A 5hikA-1c30A:
3.5		 5hikA-1c30A:
14.30
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 GLY A 210
GLY A 216
ASP A 219
ARG A 222
GLY A 182
 None
 1.19A 5hikA-1gq7A:
4.2		 5hikA-1gq7A:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 ARG A 796
SER A 512
ASP A 288
ARG A 344
GLY A 243
 TRA  A 866 (-2.9A)
None
None
None
None
 1.16A 5hikA-1l5jA:
undetectable		 5hikA-1l5jA:
14.71
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.
1nlu SEDOLISIN

(Pseudomonas sp.) 		no annotation 5 GLY A 203
GLY A 354
SER A 355
GLY A 169
SER A 168
 None
 1.25A 5hikA-1nluA:
2.4		 5hikA-1nluA:
21.45
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ARG A 992
GLY A 977
GLY A 974
GLY A 948
HIS A1006
 AKG  A2510 (-2.9A)
AKG  A2510 (-3.2A)
None
None
None
 1.10A 5hikA-1ofeA:
undetectable		 5hikA-1ofeA:
10.88
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLY A 977
GLY A 974
GLY A 948
SER A 947
HIS A1006
 AKG  A2510 (-3.2A)
None
None
None
None
 1.16A 5hikA-1ofeA:
undetectable		 5hikA-1ofeA:
10.88
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.
1qhm PYRUVATE
FORMATE-LYASE

(Escherichia
coli) 		PF02901
(PFL-like) 		5 GLY A1271
MET A1274
ARG A1520
GLY A1113
SER A1505
 None
 1.19A 5hikA-1qhmA:
undetectable		 5hikA-1qhmA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 GLY A  66
SER A  87
MET A  90
TRP A 117
GLY A 137
 None
 0.79A 5hikA-1r8yA:
24.6		 5hikA-1r8yA:
31.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		5 GLY A  66
SER A  87
TRP A 117
GLY A 137
SER A 139
 None
 0.78A 5hikA-1r8yA:
24.6		 5hikA-1r8yA:
31.15
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A 240
GLY A  48
SER A  49
MET A 259
HIS A 189
 AHZ  A 600 (-3.5A)
AHZ  A 600 (-3.4A)
AHZ  A 600 (-3.5A)
AHZ  A 600 (-3.3A)
ZN  A 500 ( 3.2A)
 1.11A 5hikA-1rp0A:
2.7		 5hikA-1rp0A:
21.07
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.
1tkc TRANSKETOLASE

(Saccharomyces
cerevisiae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ARG A 332
GLY A 409
SER A 408
ASP A 396
ARG A 390
 None
 1.23A 5hikA-1tkcA:
undetectable		 5hikA-1tkcA:
16.49
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 ARG A  24
GLY A  48
SER A  69
MET A  72
ASP A  93
 SAM  A 302 (-3.1A)
SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
 1.10A 5hikA-1ve3A:
20.6		 5hikA-1ve3A:
22.76
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 GLY A  48
MET A  72
ASP A  93
SER A 112
HIS A 115
 SAM  A 302 (-3.6A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.96A 5hikA-1ve3A:
20.6		 5hikA-1ve3A:
22.76
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		6 GLY A  48
SER A  69
MET A  72
ASP A  93
ARG A  95
SER A 112
 SAM  A 302 (-3.6A)
SAM  A 302 (-4.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
None
SAM  A 302 (-3.3A)
 0.86A 5hikA-1ve3A:
20.6		 5hikA-1ve3A:
22.76
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.
1xkh FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 508
ASN A 384
GLY A 511
GLY A 361
SER A 389
 None
 1.12A 5hikA-1xkhA:
undetectable		 5hikA-1xkhA:
17.23
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.
1xmp PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bacillus
anthracis) 		PF00731
(AIRC) 		5 GLY A 120
SER A 121
MET A  18
GLY A  67
SER A  98
 None
 1.03A 5hikA-1xmpA:
2.7		 5hikA-1xmpA:
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 GLY A 226
GLY A 188
ASP A 190
SER A 219
HIS A 237
 None
 1.20A 5hikA-1xp3A:
undetectable		 5hikA-1xp3A:
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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 GLY A  48
SER A  69
MET A  72
ASP A  93
SER A 112
 None
 0.93A 5hikA-1y8cA:
21.5		 5hikA-1y8cA:
26.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjj HYPOTHETICAL PROTEIN
PH1952

(Pyrococcus
horikoshii) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 GLY A 125
GLY A 166
ARG A 211
GLY A  70
SER A  69
 None
 1.23A 5hikA-1zjjA:
2.9		 5hikA-1zjjA:
23.77
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.
2ch1 3-HYDROXYKYNURENINE
TRANSAMINASE

(Anopheles
gambiae) 		PF00266
(Aminotran_5) 		5 GLY A 157
GLY A 152
ASP A 179
TRP A 104
GLY A 346
 None
None
PLP  A1390 (-3.0A)
PLP  A1390 ( 3.4A)
None
 1.21A 5hikA-2ch1A:
4.1		 5hikA-2ch1A:
21.53
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.
2f9i ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Staphylococcus
aureus) 		PF01039
(Carboxyl_trans) 		5 GLY B 217
SER B 199
ASP B 218
GLY B 181
SER B 184
 None
 1.14A 5hikA-2f9iB:
undetectable		 5hikA-2f9iB:
23.90
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.
2q7n LEUKEMIA INHIBITORY
FACTOR RECEPTOR

(Mus musculus) 		PF00041
(fn3) 		5 GLY A 216
SER A 217
MET A 219
GLY A 263
SER A 259
 None
 1.18A 5hikA-2q7nA:
undetectable		 5hikA-2q7nA:
20.77
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.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		5 GLY A 184
ASN A 188
GLY A 153
GLY A 207
SER A 208
 None
 1.14A 5hikA-2rfzA:
undetectable		 5hikA-2rfzA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 GLY A 233
GLY A 428
ASP A 432
GLY A  55
SER A  57
 FAD  A 609 (-3.4A)
None
None
FAD  A 609 (-3.6A)
FAD  A 609 (-2.6A)
 1.24A 5hikA-2rghA:
undetectable		 5hikA-2rghA:
20.56
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 ARG A 330
GLY A 441
SER A 442
GLY A 380
HIS A 435
 None
AD0  A1617 (-4.6A)
AD0  A1617 (-3.4A)
None
NI  A1614 ( 3.4A)
 0.97A 5hikA-2uvfA:
undetectable		 5hikA-2uvfA:
18.11
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ARG A 957
GLY A 942
GLY A 939
GLY A 913
HIS A 971
 AKG  A2475 (-2.8A)
AKG  A2475 (-3.0A)
None
None
None
 1.14A 5hikA-2vdcA:
undetectable		 5hikA-2vdcA:
10.90
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 GLY A 942
GLY A 939
GLY A 913
SER A 912
HIS A 971
 AKG  A2475 (-3.0A)
None
None
None
None
 1.26A 5hikA-2vdcA:
undetectable		 5hikA-2vdcA:
10.90
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.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE

(Geobacillus
stearothermophilus) 		PF00464
(SHMT) 		5 SER A 305
ASP A 316
ARG A 318
GLY A 121
HIS A 119
 None
 1.19A 5hikA-2vmxA:
2.9		 5hikA-2vmxA:
20.15
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 405
ASP A 273
GLY A 351
SER A 401
HIS A 311
 None
TLM  A1424 ( 4.6A)
None
None
TLM  A1424 (-4.0A)
 1.19A 5hikA-2wgeA:
undetectable		 5hikA-2wgeA:
21.14
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 GLY A 395
SER A 394
MET A 256
GLY A  74
HIS A 387
 None
HAS  A1016 (-3.7A)
None
HAS  A1015 (-3.7A)
HAS  A1015 (-3.2A)
 1.20A 5hikA-2yevA:
undetectable		 5hikA-2yevA:
15.20
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  71
SER A  93
ASP A 119
SER A 138
HIS A 141
 SAH  A 274 (-3.4A)
None
SAH  A 274 (-3.6A)
None
SAH  A 274 (-4.0A)
 1.17A 5hikA-3busA:
17.8		 5hikA-3busA:
23.61
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 GLY A  48
SER A  69
MET A  72
ASP A  89
ARG A  91
 SAM  A 238 ( 3.7A)
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
SAM  A 238 (-3.0A)
SAM  A 238 (-4.1A)
 0.58A 5hikA-3bxoA:
23.3		 5hikA-3bxoA:
23.53
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 GLY A  48
SER A  69
MET A  72
ASP A  89
SER A 108
 SAM  A 238 ( 3.7A)
SAM  A 238 (-4.6A)
SAM  A 238 (-4.2A)
SAM  A 238 (-3.0A)
SAM  A 238 (-3.2A)
 0.70A 5hikA-3bxoA:
23.3		 5hikA-3bxoA:
23.53
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  42
SER A  62
MET A  65
ASP A  86
ARG A  88
 None
 0.93A 5hikA-3d2lA:
21.6		 5hikA-3d2lA:
24.75
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  42
SER A  62
MET A  65
ASP A  86
SER A 105
 None
 0.77A 5hikA-3d2lA:
21.6		 5hikA-3d2lA:
24.75
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.
3dj4 BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 ARG A 405
GLY A 346
GLY A 326
SER A 327
GLY A 379
 None
 1.16A 5hikA-3dj4A:
2.9		 5hikA-3dj4A:
20.34
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 GLY A  52
SER A  74
MET A  77
GLY A 118
SER A 119
 SAM  A 220 (-3.2A)
GOL  A 222 ( 3.2A)
SAM  A 220 ( 3.8A)
SAM  A 220 (-4.7A)
SAM  A 220 (-2.8A)
 1.10A 5hikA-3dlcA:
16.4		 5hikA-3dlcA:
22.65
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  52
SER A  75
MET A  78
SER A 116
HIS A 119
 None
 0.77A 5hikA-3dtnA:
17.4		 5hikA-3dtnA:
24.67
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLY A 818
ASN A 750
GLY A 806
SER A 807
SER A 814
 None
 1.09A 5hikA-3dy5A:
undetectable		 5hikA-3dy5A:
14.65
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.
3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE

(Haemophilus
influenzae) 		PF03767
(Acid_phosphat_B) 		5 GLY A  77
ASN A  82
SER A  73
ASP A  66
ARG A 126
 None
None
PG4  A 257 (-4.9A)
WO4  A 256 ( 3.7A)
None
 1.09A 5hikA-3et5A:
2.9		 5hikA-3et5A:
21.43
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.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 GLY A 290
GLY A  74
SER A  75
MET A 309
HIS A 237
 AHZ  A1100 (-3.5A)
AHZ  A1100 (-3.6A)
AHZ  A1100 (-3.6A)
AHZ  A1100 (-3.3A)
AHZ  A1100 (-4.4A)
 1.25A 5hikA-3fpzA:
undetectable		 5hikA-3fpzA:
21.26
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.
3h8f CYTOSOL
AMINOPEPTIDASE

(Pseudomonas
putida) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 401
GLY A 407
ASP A 412
ARG A 482
GLY A 394
 None
 0.96A 5hikA-3h8fA:
2.9		 5hikA-3h8fA:
20.67
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		5 GLY A 836
GLY A 868
SER A 910
ARG A 957
GLY A 839
 None
 1.06A 5hikA-3hx6A:
undetectable		 5hikA-3hx6A:
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A 300
GLY A  88
SER A  89
MET A 319
HIS A 249
 AHZ  A 500 (-3.5A)
AHZ  A 500 (-3.6A)
AHZ  A 500 (-3.4A)
AHZ  A 500 (-3.2A)
FE2  A 345 ( 3.8A)
 1.13A 5hikA-3jskA:
2.9		 5hikA-3jskA:
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.
3ju5 ARGININE KINASE

(Apostichopus
japonicus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 GLY A 195
SER A 133
MET A 197
ASP A  69
GLY A  55
 None
 1.16A 5hikA-3ju5A:
undetectable		 5hikA-3ju5A:
20.57
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.
3kmp SMAD1-MH1

(Mus musculus) 		PF03165
(MH1) 		5 GLY A  73
GLY A  82
ARG A  90
GLY A 114
HIS A 100
 None
 0.90A 5hikA-3kmpA:
undetectable		 5hikA-3kmpA:
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.
3l6v DNA GYRASE SUBUNIT A

(Xanthomonas
campestris) 		PF03989
(DNA_gyraseA_C) 		5 GLY A 615
GLY A 610
ARG A 561
GLY A 546
SER A 543
 None
 1.11A 5hikA-3l6vA:
undetectable		 5hikA-3l6vA:
23.26
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.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 469
GLY A 270
ASP A 273
GLY A 386
HIS A  87
 None
FDA  A 547 (-3.6A)
FDA  A 547 (-3.4A)
None
None
 1.16A 5hikA-3ljpA:
undetectable		 5hikA-3ljpA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lyc PUTATIVE PECTINASE

(Parabacteroides
distasonis) 		PF10988
(DUF2807) 		5 GLY A 221
GLY A 203
SER A 202
ARG A 206
GLY A 260
 None
 1.14A 5hikA-3lycA:
undetectable		 5hikA-3lycA:
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.
3n6r PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT
PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Ruegeria
pomeroyi;
Roseobacter
denitrificans) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF01039
(Carboxyl_trans) 		5 GLY A 617
GLY A 599
ASP B 293
ARG B 512
HIS B 321
 None
 1.17A 5hikA-3n6rA:
undetectable		 5hikA-3n6rA:
17.69
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.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A  83
SER A  82
ASP A  84
GLY A 148
HIS A  89
 None
 1.25A 5hikA-3nyqA:
undetectable		 5hikA-3nyqA:
21.40
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.
3o04 BETA-KETO-ACYL
CARRIER PROTEIN
SYNTHASE II

(Listeria
monocytogenes) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 234
GLY A 347
SER A 345
GLY A  18
SER A  24
 None
 1.25A 5hikA-3o04A:
undetectable		 5hikA-3o04A:
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris;
Komagataella
pastoris) 		PF00365
(PFK)
PF00365
(PFK) 		5 ARG A 487
GLY B 191
GLY B 284
SER B 189
GLY B 376
 SO4  A 999 (-3.4A)
SO4  A 999 ( 4.7A)
None
None
None
 1.25A 5hikA-3opyA:
undetectable		 5hikA-3opyA:
14.27
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.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		6 GLY A  56
GLY A  76
SER A  77
MET A  80
ASP A  98
HIS A 119
 SAM  A 300 (-3.1A)
SAM  A 300 (-3.3A)
SAM  A 300 (-4.5A)
SAM  A 300 (-4.0A)
SAM  A 300 (-4.0A)
SO4  A 301 (-4.0A)
 0.57A 5hikA-3ou6A:
17.8		 5hikA-3ou6A:
23.97
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.
3pih UVRABC SYSTEM
PROTEIN A

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		5 GLY A 884
ASN A 599
GLY A 452
GLY A 622
HIS A 866
 None
None
None
PPV  A1001 (-3.4A)
None
 1.21A 5hikA-3pihA:
2.5		 5hikA-3pihA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pr7 USPA1

(Moraxella
catarrhalis) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		5 GLY A 121
ASN A 139
GLY A 104
SER A 105
GLY A 150
 None
 0.91A 5hikA-3pr7A:
undetectable		 5hikA-3pr7A:
21.99
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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		6 GLY A  60
SER A  81
MET A  84
ASP A 101
ARG A 103
SER A 120
 SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
SAH  A 263 (-3.5A)
SAH  A 263 ( 4.7A)
SAH  A 263 (-3.3A)
 0.81A 5hikA-3px2A:
22.9		 5hikA-3px2A:
23.76
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.
3qc5 PLATELET BINDING
PROTEIN GSPB

(Streptococcus
gordonii) 		no annotation 5 GLY X 301
ASN X 347
SER X 298
TRP X 280
GLY X 351
 None
GOL  X 606 (-3.7A)
None
None
None
 0.99A 5hikA-3qc5X:
undetectable		 5hikA-3qc5X:
18.50
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.
3qd7 UNCHARACTERIZED
PROTEIN YDAL

(Escherichia
coli) 		PF01713
(Smr) 		5 ARG X  92
GLY X 122
ASN X  89
GLY X 160
SER X 161
 None
 1.26A 5hikA-3qd7X:
3.7		 5hikA-3qd7X:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qmw THIOESTERASE

(Streptomyces
coelicolor) 		PF00975
(Thioesterase) 		5 GLY A 109
GLY A 135
SER A 136
ASP A 213
GLY A  42
 None
 1.04A 5hikA-3qmwA:
undetectable		 5hikA-3qmwA:
22.59
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.
3qmw THIOESTERASE

(Streptomyces
coelicolor) 		PF00975
(Thioesterase) 		5 GLY A 109
GLY A 135
SER A 136
ASP A 213
GLY A  43
 None
 1.10A 5hikA-3qmwA:
undetectable		 5hikA-3qmwA:
22.59
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 205
ASN A 256
GLY A 264
SER A 113
SER A 259
 None
 1.21A 5hikA-3szeA:
undetectable		 5hikA-3szeA:
14.39
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.
3tso RAS-RELATED PROTEIN
RAB-25

(Homo sapiens) 		PF00071
(Ras) 		5 GLY A  24
GLY A  70
SER A  21
ARG A 105
GLY A 124
 GNP  A 201 (-3.2A)
GNP  A 201 (-3.8A)
GNP  A 201 (-2.4A)
None
None
 1.16A 5hikA-3tsoA:
2.5		 5hikA-3tsoA:
22.89
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		5 GLY A 156
GLY A 144
SER A 142
GLY A 464
HIS A 460
 None
TOX  A 140 ( 3.1A)
None
None
None
 1.23A 5hikA-3ut2A:
undetectable		 5hikA-3ut2A:
17.12
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.
3uto TWITCHIN

(Caenorhabditis
elegans) 		PF00041
(fn3)
PF00069
(Pkinase)
PF07679
(I-set) 		5 ASN A 364
GLY A 340
SER A 338
GLY A 354
SER A 351
 None
 1.11A 5hikA-3utoA:
undetectable		 5hikA-3utoA:
21.06
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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		5 GLY A 904
ASN A 619
GLY A 472
GLY A 642
HIS A 886
 None
ADP  A1002 (-3.1A)
None
ADP  A1002 (-3.3A)
None
 1.18A 5hikA-3ux8A:
2.8		 5hikA-3ux8A:
20.51
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 GLY A 736
ASN A 411
GLY A 701
SER A 700
GLY A 406
 None
None
AP2  A 806 ( 4.3A)
None
None
 1.26A 5hikA-3vthA:
undetectable		 5hikA-3vthA:
16.62
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		5 GLY A 124
ASN A  68
GLY A 154
GLY A  18
SER A 330
 None
 1.18A 5hikA-3vxiA:
undetectable		 5hikA-3vxiA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjp HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPE

(Thermococcus
kodakarensis) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A 273
GLY A  80
SER A  79
ASP A  59
GLY A 174
 None
None
None
MG  A 403 (-2.6A)
None
 1.07A 5hikA-3wjpA:
undetectable		 5hikA-3wjpA:
22.71
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.
4am6 ACTIN-LIKE PROTEIN
ARP8

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 ARG A 509
GLY A 735
ASP A 370
GLY A 274
SER A 277
 SO4  A1882 (-3.6A)
SO4  A1883 ( 3.9A)
None
SO4  A1882 (-3.1A)
SO4  A1883 (-2.5A)
 1.21A 5hikA-4am6A:
undetectable		 5hikA-4am6A:
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.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		5 GLY A  66
GLY A  69
SER A  68
MET A 142
SER A  63
 None
 1.13A 5hikA-4dn7A:
undetectable		 5hikA-4dn7A:
21.33
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.
4g0r CAPSID PROTEIN VP1

(Rodent
protoparvovirus
1) 		PF00740
(Parvo_coat) 		5 ASN A 454
GLY A 412
ASP A 408
GLY A 457
SER A 460
 None
 0.96A 5hikA-4g0rA:
undetectable		 5hikA-4g0rA:
15.26
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 GLY D 280
GLY D 407
SER D 408
MET D 284
GLY D 311
 None
 1.17A 5hikA-4jrmD:
undetectable		 5hikA-4jrmD:
23.23
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.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 GLY A  75
GLY A 216
SER A 219
GLY A  78
SER A 197
 None
None
None
EDO  A 301 (-3.3A)
None
 1.22A 5hikA-4kn5A:
undetectable		 5hikA-4kn5A:
26.05
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.
4nj5 PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH9

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 GLY A 205
ASN A 198
GLY A 327
ARG A 310
SER A 252
 None
 1.13A 5hikA-4nj5A:
undetectable		 5hikA-4nj5A:
19.04
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.
4nj5 PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH9

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 GLY A 205
ASN A 198
GLY A 327
ASP A 326
ARG A 310
 None
 1.11A 5hikA-4nj5A:
undetectable		 5hikA-4nj5A:
19.04
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.
4pmz XYLANASE

(Xanthomonas
citri) 		PF00331
(Glyco_hydro_10) 		5 GLY A  38
GLY A 289
ASP A 256
TRP A 288
GLY A  57
 None
None
None
BXP  A 402 (-4.1A)
None
 1.24A 5hikA-4pmzA:
2.1		 5hikA-4pmzA:
21.45
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 GLY A  72
SER A  93
MET A  96
ASP A 120
HIS A 139
 SAH  A 301 (-3.6A)
SAH  A 301 (-4.6A)
SAH  A 301 (-4.2A)
SAH  A 301 (-3.8A)
None
 0.71A 5hikA-4qdkA:
18.2		 5hikA-4qdkA:
23.89
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.
4r6h SOLUTE BINDING
PROTEIN MSME

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		5 ASN A 224
GLY A 250
ASP A 122
GLY A 167
SER A 172
 None
CL  A 503 (-3.9A)
None
None
None
 1.20A 5hikA-4r6hA:
undetectable		 5hikA-4r6hA:
21.00
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.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		5 GLY A 260
GLY A 242
SER A 241
ASP A 243
ARG A 268
 None
 1.07A 5hikA-4ru4A:
undetectable		 5hikA-4ru4A:
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.
4rwr STAGE II SPORULATION
PROTEIN D

(Bacillus
anthracis) 		PF08486
(SpoIID) 		5 GLY A 294
ASN A 181
SER A 175
GLY A 246
SER A 200
 None
 1.07A 5hikA-4rwrA:
undetectable		 5hikA-4rwrA:
24.27
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.
4xat NOELIN

(Homo sapiens) 		PF02191
(OLF) 		5 GLY A 403
ASN A 416
GLY A 350
GLY A 420
SER A 419
 None
 1.25A 5hikA-4xatA:
undetectable		 5hikA-4xatA:
21.65
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 333
GLY A 216
SER A 330
GLY A 669
SER A 484
 None
MO  A 802 ( 3.9A)
1PE  A 803 ( 4.8A)
MCN  A 801 (-3.2A)
MCN  A 801 (-4.1A)
 1.24A 5hikA-4zohA:
undetectable		 5hikA-4zohA:
17.49
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.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		5 ARG A 178
GLY A 202
ASN A 188
GLY A  53
GLY A 191
 None
None
None
None
NAG  A 702 ( 4.2A)
 1.25A 5hikA-5ampA:
undetectable		 5hikA-5ampA:
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		5 GLY B  89
ASN B 117
GLY B  97
GLY B 119
SER B 129
 MG  B 403 (-3.6A)
None
None
None
None
 1.14A 5hikA-5b47B:
2.2		 5hikA-5b47B:
23.51
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.
5bsz N-METHYLTRANSFERASE

(Streptoalloteichus
sp. ATCC 53650) 		PF13649
(Methyltransf_25) 		5 GLY A  55
SER A  76
MET A  79
ASP A  96
SER A 115
 SAH  A 301 ( 3.7A)
SAH  A 301 (-4.6A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.5A)
 0.79A 5hikA-5bszA:
20.8		 5hikA-5bszA:
25.08
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.
5cww NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 5 GLY B 100
GLY B 105
ASP B  68
TRP B  66
HIS B 147
 None
 1.15A 5hikA-5cwwB:
undetectable		 5hikA-5cwwB:
18.82
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 125
GLY A  97
ASP A  96
GLY A 132
SER A 133
 None
 1.18A 5hikA-5fp1A:
2.3		 5hikA-5fp1A:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 GLY A  87
SER A 109
ASP A 135
SER A 154
HIS A 157
 SAH  A 301 (-3.1A)
None
SAH  A 301 (-3.6A)
SAH  A 301 (-4.4A)
SAH  A 301 ( 4.3A)
 1.25A 5hikA-5gm2A:
17.0		 5hikA-5gm2A:
25.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		11 ARG A  43
GLY A  69
ASN A  73
GLY A  89
SER A  90
MET A  93
ASP A 114
TRP A 115
ARG A 116
GLY A 133
SER A 135
 SAH  A 301 ( 3.2A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.2A)
SAH  A 301 ( 3.3A)
SAH  A 301 (-3.1A)
 0.22A 5hikA-5h02A:
41.6		 5hikA-5h02A:
98.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		5 GLY A  69
SER A  90
MET A  93
TRP A 115
HIS A 138
 SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.4A)
 1.18A 5hikA-5h02A:
41.6		 5hikA-5h02A:
98.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 ARG A  24
GLY A  49
SER A  71
MET A  74
ASP A  95
 SAH  A 301 (-3.0A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 4.8A)
SAH  A 301 ( 4.5A)
SAH  A 301 (-3.7A)
 1.02A 5hikA-5je3A:
20.5		 5hikA-5je3A:
24.59
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.
5jrl DIPEPTIDYL
AMINOPEPTIDASES/ACYL
AMINOACYL-PEPTIDASES
-LIKE PROTEIN

(Sphingopyxis
alaskensis) 		PF00326
(Peptidase_S9) 		5 GLY A 557
ASN A 566
GLY A 462
GLY A 583
HIS A 671
 None
 1.16A 5hikA-5jrlA:
2.9		 5hikA-5jrlA:
20.14
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.
5kjo ENDOGLUCANASE V-LIKE
PROTEIN

(Phanerochaete
chrysosporium) 		no annotation 5 GLY A  27
GLY A  22
SER A  23
ASP A 118
GLY A  55
 None
 1.18A 5hikA-5kjoA:
undetectable		 5hikA-5kjoA:
18.64
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.
5x6m MOTHERS AGAINST
DECAPENTAPLEGIC
HOMOLOG 5

(Mus musculus) 		no annotation 5 GLY B  74
GLY B  83
ARG B  91
GLY B 115
HIS B 101
 None
 0.95A 5hikA-5x6mB:
undetectable		 5hikA-5x6mB:
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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 GLY A 167
GLY A 235
SER A 236
GLY A 170
SER A 212
 None
 0.95A 5hikA-5zbiA:
undetectable		 5hikA-5zbiA:
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.
5zm4 DIOXYGENASE ANDA

(Aspergillus
stellatus) 		no annotation 5 GLY A 234
ASN A 275
GLY A 113
SER A 112
GLY A 262
 None
 1.07A 5hikA-5zm4A:
undetectable		 5hikA-5zm4A:
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.
6co7 PREDICTED PROTEIN

(Nematostella
vectensis) 		no annotation 5 GLY A 265
GLY A 213
ARG A 113
GLY A 269
HIS A 116
 None
 1.01A 5hikA-6co7A:
undetectable		 5hikA-6co7A:
undetectable