SIMILAR PATTERNS OF AMINO ACIDS FOR 3DMH_A_SAMA384_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.
1byo PROTEIN
(PLASTOCYANIN)

(Silene
latifolia) 		PF00127
(Copper-bind) 		5 GLY A  94
LEU A  19
ASP A  42
VAL A  46
VAL A  52
 None
 1.03A 3dmhA-1byoA:
undetectable		 3dmhA-1byoA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 PHE A 534
GLY A 538
GLY A 536
VAL A 488
PHE A 465
 None
 1.12A 3dmhA-1dgjA:
undetectable		 3dmhA-1dgjA:
18.22
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 PHE A  35
GLY A  63
GLY A  65
ASN A 129
PRO A 131
 None
 0.39A 3dmhA-1dusA:
20.4		 3dmhA-1dusA:
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 TYR A 309
GLY A 140
LEU A 138
ASN A 263
VAL A 305
 None
 0.99A 3dmhA-1fw8A:
2.8		 3dmhA-1fw8A:
23.35
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 534
ALA A 395
ASP A 537
VAL A 542
ASN A 329
 None
NAG  A 604 (-3.4A)
None
None
None
 1.07A 3dmhA-1gpeA:
undetectable		 3dmhA-1gpeA:
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 PHE A 130
GLY A 534
ALA A 395
ASP A 537
VAL A 542
 None
None
NAG  A 604 (-3.4A)
None
None
 0.97A 3dmhA-1gpeA:
undetectable		 3dmhA-1gpeA:
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 PHE A 225
GLY A  12
GLY A   9
VAL A  74
VAL A 232
 None
None
NAD  A1306 (-3.2A)
None
None
 1.02A 3dmhA-1gv0A:
7.2		 3dmhA-1gv0A:
24.43
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.
1ioa ARCELIN-5A

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 PHE A  89
LEU A 190
ASP A 132
VAL A 142
VAL A 184
 None
 1.08A 3dmhA-1ioaA:
undetectable		 3dmhA-1ioaA:
18.28
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.
1j3n 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE II

(Thermus
thermophilus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 103
GLY A 186
ALA A  79
ASP A 166
VAL A 158
 None
 1.12A 3dmhA-1j3nA:
undetectable		 3dmhA-1j3nA:
24.51
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		5 GLY A  56
GLY A  58
LEU A  62
ASN A 114
PRO A 116
 None
 0.94A 3dmhA-1ne2A:
14.6		 3dmhA-1ne2A:
18.35
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		6 GLY A  56
GLY A  58
LEU A  62
VAL A 101
ASN A 114
PHE A 128
 None
 0.55A 3dmhA-1ne2A:
14.6		 3dmhA-1ne2A:
18.35
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 GLY A  84
GLY A 362
ALA A 373
VAL A  25
PHE A 214
 None
 1.01A 3dmhA-1qdlA:
undetectable		 3dmhA-1qdlA:
23.74
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 TYR A 380
GLY A 211
LEU A 209
ASN A 334
VAL A 376
 None
MAP  A 450 (-3.6A)
None
MAP  A 450 (-3.3A)
None
 1.06A 3dmhA-1qpgA:
3.2		 3dmhA-1qpgA:
24.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		6 GLY A  45
GLY A  47
ALA A  50
LEU A  51
ASN A 113
PRO A 115
 None
 0.68A 3dmhA-1qyrA:
10.8		 3dmhA-1qyrA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		5 PHE A 100
ALA A 134
ASN A 197
PRO A 199
PHE A 228
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
None
 1.00A 3dmhA-1sg9A:
12.8		 3dmhA-1sg9A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		6 PHE A 100
GLY A 129
GLY A 131
ALA A 134
ASN A 197
PRO A 199
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.0A)
GLN  A 400 ( 3.1A)
SAM  A 301 ( 4.6A)
 0.45A 3dmhA-1sg9A:
12.8		 3dmhA-1sg9A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		5 TYR A  63
GLY A  90
ALA A  54
VAL A  61
PHE A  68
 None
 1.01A 3dmhA-1wkrA:
undetectable		 3dmhA-1wkrA:
19.26
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		7 GLY A  57
GLY A  59
LEU A  63
VAL A 106
ASN A 119
PRO A 121
PHE A 133
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-3.9A)
SAH  A1001 (-4.6A)
None
SAH  A1001 (-4.7A)
 0.61A 3dmhA-1wy7A:
14.0		 3dmhA-1wy7A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E

(Mus musculus) 		PF00755
(Carn_acyltransf) 		5 GLY A 564
GLY A 562
LEU A 592
VAL A 555
PHE A 566
 None
 1.01A 3dmhA-1xl8A:
undetectable		 3dmhA-1xl8A:
21.13
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.
1xvx YFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 PHE A 227
GLY A 225
ALA A 289
LEU A 287
VAL A 109
 None
 1.03A 3dmhA-1xvxA:
undetectable		 3dmhA-1xvxA:
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.
1zl9 GLUTATHIONE
S-TRANSFERASE 5

(Caenorhabditis
elegans) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 PHE A   9
GLY A  13
GLY A  11
VAL A  17
PRO A  54
 GSH  A 501 (-4.7A)
None
None
None
GSH  A 501 (-4.5A)
 1.04A 3dmhA-1zl9A:
undetectable		 3dmhA-1zl9A:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zq9 PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Homo sapiens) 		PF00398
(RrnaAD) 		5 GLY A  64
GLY A  66
VAL A 114
ASN A 128
PRO A 130
 SAM  A4000 (-3.1A)
SAM  A4000 (-3.2A)
SAM  A4000 (-3.9A)
SAM  A4000 (-2.7A)
SAM  A4000 (-4.1A)
 1.09A 3dmhA-1zq9A:
10.6		 3dmhA-1zq9A:
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 GLY B  86
ALA B  81
LEU B 132
ASP B 138
PHE B  47
 None
 1.12A 3dmhA-2amcB:
undetectable		 3dmhA-2amcB:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A 117
GLY A 119
ALA A 122
ASN A 183
PRO A 185
 SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.4A)
SAH  A 300 (-3.9A)
SAH  A 300 ( 3.9A)
 0.58A 3dmhA-2b3tA:
21.6		 3dmhA-2b3tA:
23.65
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF02233
(PNTB) 		5 PHE C 147
GLY C  38
GLY C  40
ALA C  46
VAL C 118
 None
NAP  C1001 (-3.3A)
NAP  C1001 (-3.5A)
None
None
 0.96A 3dmhA-2bruC:
4.0		 3dmhA-2bruC:
18.97
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 TYR A  65
GLY A 102
GLY A 126
ALA A 294
ASP A 104
 None
None
None
None
ACT  A2005 ( 4.0A)
 0.99A 3dmhA-2e3jA:
2.2		 3dmhA-2e3jA:
22.93
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.
2fwm 2,3-DIHYDRO-2,3-DIHY
DROXYBENZOATE
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 GLY X  12
GLY X  14
ALA X  20
VAL X  53
VAL X 102
 None
 1.12A 3dmhA-2fwmX:
7.2		 3dmhA-2fwmX:
23.38
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.
2hjs USG-1 PROTEIN
HOMOLOG

(Pseudomonas
aeruginosa) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 GLY A  11
GLY A  14
ALA A  19
LEU A  20
VAL A  59
VAL A  78
 None
DIO  A 407 (-3.5A)
None
None
None
None
 1.10A 3dmhA-2hjsA:
4.2		 3dmhA-2hjsA:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hzg MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME/ENOLASE
SUPERFAMILY

(Rhodobacter
sphaeroides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 282
GLY A 279
ALA A 314
LEU A 284
VAL A  89
 None
 1.09A 3dmhA-2hzgA:
2.6		 3dmhA-2hzgA:
26.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i76 HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF10728
(DUF2520) 		5 GLY A  26
GLY A  45
ALA A  47
LEU A  29
VAL A   2
 None
 0.97A 3dmhA-2i76A:
3.5		 3dmhA-2i76A:
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.
2jik SYNAPTOJANIN-2
BINDING PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  22
GLY A  24
ALA A  54
LEU A  55
ASN A  50
 None
 0.93A 3dmhA-2jikA:
undetectable		 3dmhA-2jikA:
12.89
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.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY

(Enterococcus
faecalis) 		PF04198
(Sugar-bind) 		5 GLY A 308
ALA A 315
VAL A 113
VAL A 123
PHE A 127
 None
 1.09A 3dmhA-2o0mA:
undetectable		 3dmhA-2o0mA:
23.04
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 PHE A 108
ASP A  67
PRO A  91
VAL A  46
PHE A  48
 None
 1.02A 3dmhA-2o5pA:
undetectable		 3dmhA-2o5pA:
17.70
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.
2ozv HYPOTHETICAL PROTEIN
ATU0636

(Agrobacterium
fabrum) 		PF05175
(MTS) 		6 GLY A  52
GLY A  54
ALA A  33
LEU A  36
ASN A 130
PRO A 132
 None
 1.41A 3dmhA-2ozvA:
14.4		 3dmhA-2ozvA:
25.50
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.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C

(Escherichia
coli) 		PF05175
(MTS)
PF08468
(MTS_N) 		6 GLY A 204
GLY A 206
LEU A 210
VAL A 254
ASN A 268
PRO A 270
 None
 0.86A 3dmhA-2pjdA:
33.2		 3dmhA-2pjdA:
29.50
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.
2qa1 POLYKETIDE OXYGENASE
PGAE

(Streptomyces
sp. PGA64) 		PF01494
(FAD_binding_3) 		5 GLY A  14
GLY A  11
LEU A 103
ASP A 152
VAL A 149
 None
FAD  A 500 (-3.5A)
None
FAD  A 500 (-4.9A)
None
 1.10A 3dmhA-2qa1A:
3.2		 3dmhA-2qa1A:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3p BENZOYL-COA-DIHYDROD
IOL LYASE

(Paraburkholderia
xenovorans) 		PF00378
(ECH_1) 		5 GLY A 142
GLY A 144
ALA A 148
LEU A 149
VAL A 202
 None
 1.04A 3dmhA-2w3pA:
undetectable		 3dmhA-2w3pA:
23.16
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		6 PHE A 432
GLY A 434
GLY A 431
ALA A 324
VAL A  78
PHE A  85
 None
 1.39A 3dmhA-2xfgA:
undetectable		 3dmhA-2xfgA:
22.04
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.
2y93 CIS-2,3-DIHYDROBIPHE
NYL-2,3-DIOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF00106
(adh_short) 		5 GLY A  12
ALA A  20
LEU A  21
VAL A  60
VAL A 114
 None
 1.06A 3dmhA-2y93A:
7.0		 3dmhA-2y93A:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		12 TYR A   8
PHE A 207
GLY A 241
GLY A 243
ALA A 246
LEU A 247
ASP A 263
VAL A 289
ASN A 305
PRO A 307
VAL A 318
PHE A 322
 None
SAH  A 376 (-3.4A)
SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 (-3.3A)
SAH  A 376 ( 4.4A)
SAH  A 376 (-4.2A)
SAH  A 376 (-4.0A)
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
SAH  A 376 (-4.5A)
None
 0.19A 3dmhA-2zwvA:
61.7		 3dmhA-2zwvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		7 TYR A   8
PHE A 207
LEU A 219
ASN A 305
PRO A 307
VAL A 318
PHE A 322
 None
SAH  A 376 (-3.4A)
None
SAH  A 376 (-4.4A)
SAH  A 376 ( 4.3A)
SAH  A 376 (-4.5A)
None
 1.33A 3dmhA-2zwvA:
61.7		 3dmhA-2zwvA:
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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 PHE A  60
GLY A  64
ALA A 194
LEU A 161
VAL A  69
 AN7  A1001 (-4.7A)
None
None
None
None
 1.07A 3dmhA-3aexA:
2.0		 3dmhA-3aexA:
26.62
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.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		5 PHE A  99
GLY A 128
GLY A 130
LEU A 134
ASN A 191
 SAH  A 258 ( 4.3A)
SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
SAH  A 258 (-4.2A)
SAH  A 258 ( 3.8A)
 0.45A 3dmhA-3cjtA:
18.5		 3dmhA-3cjtA:
27.76
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 GLY A  50
GLY A  52
ALA A  55
LEU A  56
VAL A 101
 SAM  A 220 (-3.5A)
SAM  A 220 (-3.2A)
SAM  A 220 ( 4.9A)
None
SAM  A 220 ( 4.2A)
 0.74A 3dmhA-3dlcA:
11.3		 3dmhA-3dlcA:
19.90
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.
3e81 ACYLNEURAMINATE
CYTIDYLYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 GLY A 118
GLY A 102
ALA A 108
LEU A 130
VAL A 151
 None
 1.12A 3dmhA-3e81A:
2.5		 3dmhA-3e81A:
18.90
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
LEU A  44
ASN A 101
PRO A 103
 None
 0.79A 3dmhA-3fydA:
11.4		 3dmhA-3fydA:
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.
3gf6 UNCHARACTERIZED
BACTERIAL
LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF12956
(DUF3845) 		5 PHE A 194
GLY A 179
GLY A 183
ASP A  34
VAL A  33
 None
 1.12A 3dmhA-3gf6A:
undetectable		 3dmhA-3gf6A:
21.74
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
LEU A  44
ASN A 101
PRO A 103
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
SAM  A 300 (-3.6A)
SAM  A 300 (-3.8A)
 0.77A 3dmhA-3gryA:
11.4		 3dmhA-3gryA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		5 PHE A 467
GLY A 142
LEU A 220
ASP A 139
PHE A  55
 None
 1.02A 3dmhA-3i44A:
4.3		 3dmhA-3i44A:
22.67
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.
3jyo QUINATE/SHIKIMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF08501
(Shikimate_dh_N) 		5 GLY A 134
ALA A 185
LEU A 159
VAL A 138
VAL A 228
 NAD  A 377 ( 3.9A)
NAD  A 377 ( 4.4A)
NAD  A 377 (-4.2A)
NAD  A 377 (-3.8A)
NAD  A 377 (-4.5A)
 1.06A 3dmhA-3jyoA:
6.9		 3dmhA-3jyoA:
22.19
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.
3kd8 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Thermoplasma
acidophilum) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 GLY A  75
GLY A  77
ALA A  81
LEU A  82
PRO A 227
 None
 0.97A 3dmhA-3kd8A:
2.0		 3dmhA-3kd8A:
25.33
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.
3keq REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX

(Streptococcus
agalactiae) 		PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N) 		5 GLY A  91
GLY A  93
ALA A  98
LEU A  99
VAL A 164
 NAD  A 213 (-3.6A)
NAD  A 213 (-3.2A)
None
None
NAD  A 213 (-4.8A)
 1.01A 3dmhA-3keqA:
4.8		 3dmhA-3keqA:
19.00
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.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 TYR A 508
GLY A 273
ALA A 277
LEU A 278
PRO A 411
 FAD  A 690 (-4.2A)
FAD  A 690 (-3.3A)
None
None
CL  A 691 (-4.6A)
 1.00A 3dmhA-3pvcA:
9.9		 3dmhA-3pvcA:
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 GLY A 492
ALA A  86
VAL A 476
PRO A 396
VAL A 366
 GOL  A8002 (-4.8A)
GOL  A8002 (-3.9A)
None
None
None
 1.08A 3dmhA-3q3qA:
undetectable		 3dmhA-3q3qA:
23.92
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.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 308
ALA A 190
LEU A 191
VAL A 310
VAL A 272
 None
GOL  A 392 (-3.6A)
GOL  A 392 (-4.8A)
None
None
 1.08A 3dmhA-3qi6A:
2.4		 3dmhA-3qi6A:
26.65
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 355
LEU A 346
ASP A 331
PRO A 302
VAL A 328
 None
 1.06A 3dmhA-3r11A:
undetectable		 3dmhA-3r11A:
22.97
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.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		6 GLY A 331
LEU A 335
VAL A 389
ASN A 406
PRO A 408
PHE A 447
 SAH  A 900 (-3.2A)
IOD  A 938 (-4.1A)
SAH  A 900 (-3.8A)
SAH  A 900 (-4.5A)
SAH  A 900 (-4.0A)
None
 0.93A 3dmhA-3s1sA:
11.6		 3dmhA-3s1sA:
17.14
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.
3sig POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Thermomonospora
curvata) 		PF10021
(DUF2263) 		6 GLY A 104
ALA A 118
LEU A 123
ASN A  95
PRO A 178
PHE A 133
 AR6  A 280 (-3.3A)
None
None
None
None
None
 1.46A 3dmhA-3sigA:
undetectable		 3dmhA-3sigA:
25.20
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		6 GLY A  46
GLY A  48
ALA A  51
LEU A  52
ASN A 117
PRO A 119
 None
 1.10A 3dmhA-3uzuA:
10.7		 3dmhA-3uzuA:
24.74
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 GLY A 199
LEU A 203
VAL A 291
ASN A 309
PRO A 311
 SAM  A 801 (-3.2A)
SAM  A 801 ( 4.7A)
SAM  A 801 (-3.8A)
SAM  A 801 (-4.5A)
SAM  A 801 ( 4.1A)
 0.55A 3dmhA-3v8vA:
13.3		 3dmhA-3v8vA:
22.41
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.
3w77 FMN-DEPENDENT
NADH-AZOREDUCTASE

(Bacillus sp.
B29) 		PF02525
(Flavodoxin_2) 		5 PHE A 169
GLY A 171
LEU A 132
VAL A  93
PHE A  87
 None
 1.00A 3dmhA-3w77A:
3.2		 3dmhA-3w77A:
23.06
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A 106
GLY A 108
ALA A  70
VAL A 104
VAL A  15
 GDP  A1368 (-3.6A)
GDP  A1368 ( 3.8A)
None
None
None
 1.02A 3dmhA-4b46A:
2.6		 3dmhA-4b46A:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bi9 3-KETOACYL-COA
THIOLASE, PUTATIVE

(Trypanosoma
brucei) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 PHE A  81
GLY A  79
GLY A 388
ALA A 121
LEU A 125
 None
 1.08A 3dmhA-4bi9A:
undetectable		 3dmhA-4bi9A:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4db3 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Vibrio
vulnificus) 		PF00480
(ROK) 		5 GLY A  63
GLY A 292
ASN A 104
PRO A  65
VAL A  80
 None
 1.02A 3dmhA-4db3A:
undetectable		 3dmhA-4db3A:
25.68
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		6 PHE A 208
GLY A 236
GLY A 238
ASN A 305
PRO A 307
VAL A 318
 SAM  A 401 (-3.6A)
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-3.8A)
SAM  A 401 (-4.0A)
None
 0.75A 3dmhA-4dcmA:
34.0		 3dmhA-4dcmA:
28.95
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		6 PHE A 452
GLY A 454
GLY A 451
ALA A 344
VAL A  99
PHE A 106
 None
 1.37A 3dmhA-4doeA:
undetectable		 3dmhA-4doeA:
20.97
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.
4e2i LARGE T ANTIGEN

(Macaca mulatta
polyomavirus 1) 		PF06431
(Polyoma_lg_T_C) 		5 GLY A 390
ALA A 574
LEU A 577
VAL A 611
PHE A 607
 None
 1.08A 3dmhA-4e2iA:
undetectable		 3dmhA-4e2iA:
21.58
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.
4eip PUTATIVE
FAD-MONOOXYGENASE

(Lechevalieria
aerocolonigenes) 		PF01494
(FAD_binding_3) 		5 TYR A 339
GLY A  18
GLY A  14
ALA A 121
LEU A 124
 None
None
FAD  A 602 ( 4.9A)
None
None
 1.01A 3dmhA-4eipA:
undetectable		 3dmhA-4eipA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eip PUTATIVE
FAD-MONOOXYGENASE

(Lechevalieria
aerocolonigenes) 		PF01494
(FAD_binding_3) 		5 TYR A 339
GLY A  18
GLY A  15
ALA A 121
LEU A 124
 None
None
FAD  A 602 (-3.7A)
None
None
 1.06A 3dmhA-4eipA:
undetectable		 3dmhA-4eipA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  63
GLY A  65
ASN A 141
PRO A 143
VAL A 146
 ACT  A 402 (-3.4A)
None
None
ACT  A 402 ( 4.9A)
None
 1.00A 3dmhA-4gc5A:
12.3		 3dmhA-4gc5A:
23.70
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 5 PHE B 271
GLY B 414
GLY B 266
VAL B  81
PRO B 419
 None
 1.02A 3dmhA-4iu9B:
undetectable		 3dmhA-4iu9B:
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.
4iu9 NITRITE EXTRUSION
PROTEIN 2

(Escherichia
coli) 		no annotation 6 PHE B 271
GLY B 415
GLY B 266
ALA B 263
VAL B  81
PRO B 419
 None
 1.48A 3dmhA-4iu9B:
undetectable		 3dmhA-4iu9B:
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.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 PHE A 273
GLY A 417
GLY A 268
VAL A  83
PRO A 422
 None
GYP  A 502 (-3.4A)
None
None
None
 1.05A 3dmhA-4jreA:
undetectable		 3dmhA-4jreA:
22.93
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.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 GLY A  50
GLY A  52
LEU A  56
ASN A 116
PRO A 118
 None
 0.77A 3dmhA-4jxjA:
10.7		 3dmhA-4jxjA:
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 PHE A 604
GLY A 601
GLY A 606
ALA A 611
LEU A 612
 None
 0.96A 3dmhA-4q1vA:
undetectable		 3dmhA-4q1vA:
20.06
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.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		5 GLY A 357
GLY A 359
ALA A 364
ASP A  54
VAL A 338
 None
 1.08A 3dmhA-4q88A:
undetectable		 3dmhA-4q88A:
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1002
ALA A1051
LEU A1048
ASP A 936
VAL A 849
 None
 1.01A 3dmhA-4rcnA:
undetectable		 3dmhA-4rcnA:
19.49
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.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		6 GLY A  18
GLY A  20
ALA A  49
VAL A  16
ASN A  25
VAL A 194
 None
PO4  A 401 (-3.3A)
None
None
None
None
 1.40A 3dmhA-4u39A:
3.3		 3dmhA-4u39A:
22.70
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.
4y1k OUTER MEMBRANE
PROTEIN OPRM

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		5 PHE A  43
GLY A 447
GLY A 449
ALA A 159
ASP A  37
 None
 1.05A 3dmhA-4y1kA:
undetectable		 3dmhA-4y1kA:
26.18
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS5

(Saccharomyces
cerevisiae) 		PF00533
(BRCT)
PF16893
(fn3_2) 		5 GLY A 179
ALA A 232
LEU A 229
ASP A 189
PRO A 242
 None
 1.10A 3dmhA-4yg8A:
undetectable		 3dmhA-4yg8A:
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 GLY A  16
GLY A  13
ALA A 160
LEU A 163
VAL A 205
 None
FAD  A 401 (-3.3A)
None
None
None
 1.02A 3dmhA-4yshA:
undetectable		 3dmhA-4yshA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zv7 LIPASE B

(Moesziomyces
antarcticus) 		no annotation 5 GLY A  39
GLY A  41
ALA A 282
VAL A  37
VAL A 110
 None
 1.00A 3dmhA-4zv7A:
undetectable		 3dmhA-4zv7A:
22.64
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.
5cqf L-LYSINE
6-MONOOXYGENASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13434
(K_oxygenase) 		5 GLY A  17
GLY A  19
ALA A  24
LEU A  25
ASN A 394
 None
 1.03A 3dmhA-5cqfA:
undetectable		 3dmhA-5cqfA:
23.79
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.
5cx0 PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		5 TYR A 117
GLY A  46
GLY A  44
ALA A  42
VAL A 139
 None
56L  A 205 (-3.7A)
None
None
None
 1.08A 3dmhA-5cx0A:
undetectable		 3dmhA-5cx0A:
19.24
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.
5e5d PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		5 TYR A 117
GLY A  46
GLY A  44
ALA A  42
VAL A 139
 None
 1.12A 3dmhA-5e5dA:
undetectable		 3dmhA-5e5dA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g6r IMINE REDUCTASE

(Aspergillus
oryzae) 		PF03446
(NAD_binding_2) 		5 GLY A   9
GLY A  11
ALA A  16
LEU A  17
VAL A  71
 NDP  A1000 (-3.5A)
NDP  A1000 (-3.3A)
None
None
NDP  A1000 (-4.4A)
 1.02A 3dmhA-5g6rA:
6.3		 3dmhA-5g6rA:
23.33
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.
5gmt ALGINATE LYASE

(Aplysia kurodai) 		no annotation 5 PHE A  92
GLY A  97
GLY A  95
ALA A 245
ASP A 136
 None
 0.92A 3dmhA-5gmtA:
undetectable		 3dmhA-5gmtA:
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.
5hlb PENICILLIN-BINDING
PROTEIN 1B

(Escherichia
coli) 		PF00905
(Transpeptidase)
PF00912
(Transgly)
PF14814
(UB2H) 		5 GLY A 509
ALA A 613
LEU A 614
PRO A 514
PHE A 625
 AZR  A 902 ( 3.9A)
None
None
None
None
 0.95A 3dmhA-5hlbA:
undetectable		 3dmhA-5hlbA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jsc PUTATIVE ACYL-COA
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 109
ALA A 246
LEU A 245
VAL A  66
VAL A 127
 None
 0.94A 3dmhA-5jscA:
undetectable		 3dmhA-5jscA:
25.99
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 449
ALA A 457
LEU A 456
VAL A 313
PHE A 392
 None
 1.07A 3dmhA-5lp4A:
undetectable		 3dmhA-5lp4A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lpc VANADIUM-DEPENDENT
BROMOPEROXIDASE

(Acaryochloris
marina) 		no annotation 5 TYR A 632
GLY A 612
GLY A 151
ALA A  15
LEU A  18
 None
 1.11A 3dmhA-5lpcA:
undetectable		 3dmhA-5lpcA:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 GLY A 539
ALA A 546
LEU A 547
VAL A 535
VAL A 371
 None
 1.12A 3dmhA-5mrwA:
undetectable		 3dmhA-5mrwA:
23.32
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 GLY A 530
ALA A 391
ASP A 533
VAL A 538
ASN A 325
 None
NAG  A 609 (-3.5A)
None
None
None
 1.10A 3dmhA-5nitA:
undetectable		 3dmhA-5nitA:
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.
5nit GLUCOSE OXIDASE

(Aspergillus
niger) 		no annotation 5 PHE A 126
GLY A 530
ALA A 391
ASP A 533
VAL A 538
 None
None
NAG  A 609 (-3.5A)
None
None
 1.03A 3dmhA-5nitA:
undetectable		 3dmhA-5nitA:
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.
5obn RNA-BINDING PROTEIN
40

(Homo sapiens) 		no annotation 5 GLY A 488
GLY A 397
VAL A 497
VAL A 409
PHE A 410
 None
 0.87A 3dmhA-5obnA:
undetectable		 3dmhA-5obnA:
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 GLY A 131
GLY A 133
LEU A 137
ASN A 194
PRO A 196
 SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 ( 3.7A)
TRS  A 415 ( 2.3A)
SAH  A 414 ( 3.2A)
 0.40A 3dmhA-5u4tA:
15.0		 3dmhA-5u4tA:
25.55
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5

(Sus scrofa) 		PF00149
(Metallophos) 		5 GLY A  51
GLY A  13
ALA A  11
LEU A  48
VAL A 139
 None
 0.90A 3dmhA-5uq6A:
undetectable		 3dmhA-5uq6A:
22.61
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.
5vdn GLUTATHIONE
OXIDOREDUCTASE

(Yersinia pestis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 TYR A 389
PHE A  89
GLY A 198
GLY A 200
LEU A 196
 None
 1.08A 3dmhA-5vdnA:
3.3		 3dmhA-5vdnA:
22.79
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 GLY A  14
GLY A  11
LEU A 104
ASP A 150
VAL A 147
 None
FAD  A 501 (-3.5A)
None
None
None
 1.04A 3dmhA-5xgvA:
undetectable		 3dmhA-5xgvA:
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 GLY A 981
GLY A 979
ASN A 524
PRO A 526
VAL A 519
 None
 1.07A 3dmhA-6etzA:
undetectable		 3dmhA-6etzA:
undetectable