SIMILAR PATTERNS OF AMINO ACIDS FOR 2NXE_B_SAMB303_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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 129
GLY A 134
LEU A 157
ILE A 270
LEU A 241
 FAD  A 600 (-3.0A)
None
None
None
None
 0.86A 2nxeB-1bhyA:
undetectable		 2nxeB-1bhyA:
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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 176
GLY A 184
GLY A 120
ILE A 182
ASP A 180
 None
 1.06A 2nxeB-1cqjA:
6.9		 2nxeB-1cqjA:
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		5 PHE A  35
ASP A  61
GLY A  63
GLY A  65
ILE A  85
 None
 0.54A 2nxeB-1dusA:
18.5		 2nxeB-1dusA:
20.69
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.
1dus MJ0882

(Methanocaldococcus
jannaschii) 		PF05175
(MTS) 		6 PHE A  35
ASP A  61
LEU A  62
GLY A  63
GLY A  65
ASN A 129
 None
 0.42A 2nxeB-1dusA:
18.5		 2nxeB-1dusA:
20.69
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.
1k0h GPFII

(Escherichia
virus Lambda) 		PF05354
(Phage_attach) 		5 GLY A  98
ILE A  29
ASP A  79
LEU A 103
LEU A  65
 None
 1.07A 2nxeB-1k0hA:
undetectable		 2nxeB-1k0hA:
19.29
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A  82
GLY A  84
ILE A 105
ASP A 106
LEU A 169
 None
 0.79A 2nxeB-1mjfA:
12.9		 2nxeB-1mjfA:
23.22
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.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 GLY C 503
LEU C 434
GLY C 433
GLY C 501
ILE C 429
 None
 1.05A 2nxeB-1n8yC:
undetectable		 2nxeB-1n8yC:
18.05
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.
1ne2 HYPOTHETICAL PROTEIN
TA1320

(Thermoplasma
acidophilum) 		PF06325
(PrmA) 		7 ASP A  54
GLY A  56
GLY A  58
LEU A  62
ILE A  79
ASP A  80
ASN A 114
 None
 0.57A 2nxeB-1ne2A:
17.4		 2nxeB-1ne2A:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgz PROTEIN
(FERREDOXIN:NADP+
REDUCTASE)

(Nostoc sp. PCC
7119) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A 262
GLY A 156
ILE A 199
LEU A 189
LEU A 218
 None
 0.98A 2nxeB-1qgzA:
2.1		 2nxeB-1qgzA:
23.87
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		5 GLY A  45
GLY A  47
LEU A  51
ASP A  68
ASN A 113
 None
 0.60A 2nxeB-1qyrA:
12.8		 2nxeB-1qyrA:
22.49
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.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		5 PHE A 100
ASP A 127
GLY A 129
GLY A 131
ASN A 197
 SAM  A 301 ( 3.4A)
SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.8A)
GLN  A 400 ( 3.1A)
 0.39A 2nxeB-1sg9A:
16.7		 2nxeB-1sg9A:
25.51
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		6 ASP A 397
GLY A 399
GLY A 401
ILE A 423
ASN A 479
LEU A 487
 SAH  A 801 (-3.0A)
SAH  A 801 (-3.1A)
SAH  A 801 ( 4.2A)
SAH  A 801 (-3.7A)
SAH  A 801 (-4.4A)
SAH  A 801 ( 4.9A)
 0.63A 2nxeB-1u2zA:
9.3		 2nxeB-1u2zA:
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		6 ASP A 397
GLY A 399
LEU A 477
ILE A 423
ASN A 479
LEU A 487
 SAH  A 801 (-3.0A)
SAH  A 801 (-3.1A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-4.4A)
SAH  A 801 ( 4.9A)
 1.16A 2nxeB-1u2zA:
9.3		 2nxeB-1u2zA:
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.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 ASP A 397
LEU A 398
GLY A 399
GLY A 401
ASN A 479
 SAH  A 801 (-3.0A)
None
SAH  A 801 (-3.1A)
SAH  A 801 ( 4.2A)
SAH  A 801 (-4.4A)
 0.63A 2nxeB-1u2zA:
9.3		 2nxeB-1u2zA:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 ASP A  55
GLY A  57
GLY A  59
LEU A  63
ASP A  81
ASN A 119
 SAH  A1001 ( 4.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 4.3A)
None
SAH  A1001 (-4.6A)
 0.48A 2nxeB-1wy7A:
16.6		 2nxeB-1wy7A:
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		6 ASP A  55
LEU A  56
GLY A  57
GLY A  59
LEU A  63
ASN A 119
 SAH  A1001 ( 4.5A)
None
SAH  A1001 (-3.4A)
SAH  A1001 (-3.3A)
SAH  A1001 ( 4.3A)
SAH  A1001 (-4.6A)
 0.74A 2nxeB-1wy7A:
16.6		 2nxeB-1wy7A:
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		5 PHE A 119
GLY A 120
LEU A 310
LEU A 342
LEU A 325
 None
 0.87A 2nxeB-1yt8A:
undetectable		 2nxeB-1yt8A:
22.14
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.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 ASP A 115
LEU A 116
GLY A 117
GLY A 119
ASN A 183
 None
None
SAH  A 300 (-3.4A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.9A)
 0.54A 2nxeB-2b3tA:
19.2		 2nxeB-2b3tA:
27.05
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.
2fpo METHYLASE YHHF

(Escherichia
coli) 		PF03602
(Cons_hypoth95) 		5 ASP A  58
GLY A  62
LEU A  66
ASP A  84
LEU A 134
 None
None
None
None
CL  A 401 (-4.5A)
 0.65A 2nxeB-2fpoA:
15.9		 2nxeB-2fpoA:
23.83
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.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 ASP A  71
GLY A  73
GLY A  75
ASP A  98
ASN A 147
 SAH  A 300 ( 4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.6A)
None
SAH  A 300 (-3.9A)
 0.36A 2nxeB-2h00A:
8.3		 2nxeB-2h00A:
20.22
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.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 218
ILE A 246
ASP A 245
LEU A 237
LEU A 261
 None
 0.95A 2nxeB-2obyA:
11.1		 2nxeB-2obyA:
23.12
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.
2p35 TRANS-ACONITATE
2-METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13489
(Methyltransf_23) 		5 ASP A  36
LEU A  37
GLY A  38
GLY A  40
ASN A  99
 SAH  A 301 ( 4.4A)
None
SAH  A 301 (-3.6A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.8A)
 0.94A 2nxeB-2p35A:
15.0		 2nxeB-2p35A:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ASP A 202
GLY A 204
GLY A 206
LEU A 210
ASN A 268
 None
 0.50A 2nxeB-2pjdA:
18.8		 2nxeB-2pjdA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 ASP A  82
GLY A  84
GLY A  86
ILE A 111
ASP A 112
 None
SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-3.7A)
None
 0.55A 2nxeB-2qe6A:
11.7		 2nxeB-2qe6A:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 313
ASP A 265
GLY A 278
GLY A 276
LEU A 285
 None
 0.90A 2nxeB-2rjtA:
undetectable		 2nxeB-2rjtA:
22.30
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 GLY A 535
GLY A 533
ASN A 511
LEU A 513
LEU A 516
 ADP  A1844 (-3.2A)
ADP  A1844 (-3.3A)
ADP  A1844 (-3.6A)
None
None
 1.02A 2nxeB-2vf8A:
undetectable		 2nxeB-2vf8A:
16.75
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 348
GLY A 196
GLY A 174
LEU A 245
LEU A  94
 None
 1.06A 2nxeB-2wgeA:
undetectable		 2nxeB-2wgeA:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		5 LEU A  46
GLY A  47
GLY A  49
ASP A  70
LEU A 113
 None
 0.65A 2nxeB-2yr0A:
13.0		 2nxeB-2yr0A:
25.85
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.
2yv1 SUCCINYL-COA LIGASE
[ADP-FORMING]
SUBUNIT ALPHA

(Methanocaldococcus
jannaschii) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 182
GLY A 190
GLY A 126
ILE A 188
ASP A 186
 None
 0.97A 2nxeB-2yv1A:
6.4		 2nxeB-2yv1A:
26.85
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.
2z8u TATA-BOX-BINDING
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00352
(TBP) 		5 GLY A 132
GLY A 150
GLY A 148
ILE A 109
LEU A 171
 None
 0.79A 2nxeB-2z8uA:
undetectable		 2nxeB-2z8uA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zal L-ASPARAGINASE

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 GLY B 276
GLY B 233
GLY B 231
LEU B 268
LEU B 213
 None
ASP  B 501 ( 3.0A)
ASP  B 501 ( 3.8A)
None
None
 0.95A 2nxeB-2zalB:
undetectable		 2nxeB-2zalB:
23.20
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		7 PHE A 207
ASP A 239
GLY A 241
GLY A 243
LEU A 247
ASP A 264
ASN A 305
 SAH  A 376 (-3.4A)
SAH  A 376 ( 4.2A)
SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 ( 4.4A)
None
SAH  A 376 (-4.4A)
 0.47A 2nxeB-2zwvA:
18.3		 2nxeB-2zwvA:
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.
2zwv PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF05175
(MTS) 		7 PHE A 207
ASP A 239
LEU A 240
GLY A 241
GLY A 243
LEU A 247
ASN A 305
 SAH  A 376 (-3.4A)
SAH  A 376 ( 4.2A)
None
SAH  A 376 (-3.1A)
SAH  A 376 (-3.4A)
SAH  A 376 ( 4.4A)
SAH  A 376 (-4.4A)
 0.55A 2nxeB-2zwvA:
18.3		 2nxeB-2zwvA:
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.
3anx SPERMIDINE SYNTHASE

(Thermus
thermophilus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		6 GLY A  85
GLY A  87
ILE A 109
ASP A 110
LEU A 159
LEU A 172
 MTA  A 315 (-3.2A)
MTA  A 315 (-4.0A)
MTA  A 315 (-3.7A)
None
None
MTA  A 315 (-4.3A)
 0.90A 2nxeB-3anxA:
11.9		 2nxeB-3anxA:
23.62
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 314
LEU A 132
GLY A 135
LEU A 127
LEU A  98
 None
 0.95A 2nxeB-3bjsA:
undetectable		 2nxeB-3bjsA:
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.
3c6m SPERMINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 GLY A 198
GLY A 200
ILE A 221
ASP A 222
LEU A 277
 MTA  A 401 (-3.3A)
MTA  A 401 (-3.7A)
MTA  A 401 (-3.8A)
None
MTA  A 401 ( 4.4A)
 0.70A 2nxeB-3c6mA:
13.1		 2nxeB-3c6mA:
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		5 PHE A 405
GLY A  86
LEU A 394
ILE A 390
LEU A 553
 None
 1.06A 2nxeB-3c9fA:
undetectable		 2nxeB-3c9fA:
17.54
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 ASP A  44
LEU A  45
GLY A  46
GLY A  48
ASN A 105
 None
 0.55A 2nxeB-3ccfA:
17.6		 2nxeB-3ccfA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		12 PHE A  99
GLY A 100
ASP A 126
LEU A 127
GLY A 128
GLY A 130
LEU A 134
ILE A 150
ASP A 151
ASN A 191
LEU A 192
LEU A 196
 SAH  A 258 ( 4.3A)
SAH  A 258 (-3.1A)
SAH  A 258 ( 3.9A)
None
SAH  A 258 (-3.1A)
SAH  A 258 (-3.6A)
SAH  A 258 (-4.2A)
SAH  A 258 (-4.0A)
None
SAH  A 258 ( 3.8A)
None
SAH  A 258 (-4.6A)
 0.26A 2nxeB-3cjtA:
38.3		 2nxeB-3cjtA:
99.61
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 ASP A  48
GLY A  50
GLY A  52
LEU A  56
LEU A 120
 None
 0.74A 2nxeB-3dtnA:
15.1		 2nxeB-3dtnA:
21.17
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 ASP A  48
LEU A  49
GLY A  50
GLY A  52
LEU A  56
 None
 0.89A 2nxeB-3dtnA:
15.1		 2nxeB-3dtnA:
21.17
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		5 ASP A  57
LEU A  58
GLY A  59
GLY A  61
ASN A 122
 SAH  A 300 ( 4.7A)
None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.8A)
 0.75A 2nxeB-3e8sA:
14.5		 2nxeB-3e8sA:
27.15
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		5 ASP A  57
LEU A  58
GLY A  59
GLY A  61
ASP A  82
 SAH  A 300 ( 4.7A)
None
SAH  A 300 (-4.2A)
SAH  A 300 (-3.1A)
None
 0.46A 2nxeB-3e8sA:
14.5		 2nxeB-3e8sA:
27.15
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		5 ASP A  57
LEU A  58
GLY A  61
LEU A  65
ASN A 122
 SAH  A 300 ( 4.7A)
None
SAH  A 300 (-3.1A)
None
SAH  A 300 (-3.8A)
 0.91A 2nxeB-3e8sA:
14.5		 2nxeB-3e8sA:
27.15
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.
3epu STM2138 VIRULENCE
CHAPERONE

(Salmonella
enterica) 		PF05932
(CesT) 		5 ASP A 134
LEU A 133
GLY A  56
ASP A  86
LEU A 122
 None
 1.03A 2nxeB-3epuA:
undetectable		 2nxeB-3epuA:
16.93
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
ILE A  60
ASP A  61
ASN A 101
 None
 0.70A 2nxeB-3fydA:
14.3		 2nxeB-3fydA:
20.07
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.
3fyd PROBABLE
DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
LEU A  44
ILE A  60
ASP A  61
 None
 0.86A 2nxeB-3fydA:
14.3		 2nxeB-3fydA:
20.07
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.
3fz0 NUCLEOSIDE
HYDROLASE, PUTATIVE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		5 GLY A  81
GLY A  14
GLY A  87
LEU A 250
LEU A 131
 None
 1.05A 2nxeB-3fz0A:
4.0		 2nxeB-3fz0A:
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.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ASP A 112
GLY A 114
GLY A 116
ASP A 139
LEU A 185
 None
SAM  A 300 (-3.5A)
SAM  A 300 ( 3.7A)
None
None
 0.78A 2nxeB-3fzgA:
11.0		 2nxeB-3fzgA:
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.
3fzg 16S RRNA METHYLASE

(Escherichia
coli) 		PF07091
(FmrO) 		5 ASP A 112
GLY A 114
GLY A 116
ILE A 138
ASP A 139
 None
SAM  A 300 (-3.5A)
SAM  A 300 ( 3.7A)
SAM  A 300 (-3.7A)
None
 0.63A 2nxeB-3fzgA:
11.0		 2nxeB-3fzgA:
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.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		6 ASP A   5
GLY A   9
LEU A  13
ILE A  30
ASP A  31
LEU A  97
 None
 0.82A 2nxeB-3g7uA:
9.0		 2nxeB-3g7uA:
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  61
LEU A 111
ASP A  99
LEU A  81
LEU A  78
 None
 0.91A 2nxeB-3gg9A:
undetectable		 2nxeB-3gg9A:
21.70
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
ILE A  60
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 (-3.9A)
None
SAM  A 300 (-3.6A)
 0.73A 2nxeB-3gryA:
13.8		 2nxeB-3gryA:
20.83
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.
3gry DIMETHYLADENOSINE
TRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00398
(RrnaAD) 		5 GLY A  38
GLY A  40
LEU A  44
ASP A  61
ASN A 101
 SAM  A 300 (-3.3A)
SAM  A 300 (-3.3A)
SAM  A 300 ( 4.7A)
None
SAM  A 300 (-3.6A)
 0.82A 2nxeB-3gryA:
13.8		 2nxeB-3gryA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		6 ASP A 182
GLY A 184
GLY A 186
LEU A 190
ILE A 207
ASN A 248
 None
GOL  A 322 ( 3.7A)
None
None
GOL  A 322 (-4.1A)
None
 0.58A 2nxeB-3grzA:
26.9		 2nxeB-3grzA:
30.20
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.
3i8b XYLULOSE KINASE

(Bifidobacterium
adolescentis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 183
ASP A  80
LEU A  79
GLY A  83
LEU A 188
 None
 1.01A 2nxeB-3i8bA:
undetectable		 2nxeB-3i8bA:
21.18
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.
3iy7 FRAGMENT FROM
NEUTRALIZING
ANTIBODY F (LIGHT
CHAIN)

(Rattus
norvegicus) 		PF07686
(V-set) 		5 GLY A  64
GLY A  62
LEU A  31
ILE A  73
LEU A  19
 None
 0.94A 2nxeB-3iy7A:
undetectable		 2nxeB-3iy7A:
18.81
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.
3k94 THIAMIN
PYROPHOSPHOKINASE

(Geobacillus
thermodenitrificans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 GLY A 104
LEU A  98
GLY A   9
ASP A  31
LEU A 115
 None
 1.03A 2nxeB-3k94A:
undetectable		 2nxeB-3k94A:
20.22
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.
3l8a PUTATIVE
AMINOTRANSFERASE,
PROBABLE
BETA-CYSTATHIONASE

(Streptococcus
mutans) 		PF00155
(Aminotran_1_2) 		6 LEU A 365
ILE A 312
ASP A 326
ASN A 350
LEU A 349
LEU A 341
 None
 1.20A 2nxeB-3l8aA:
undetectable		 2nxeB-3l8aA:
21.36
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ASP A 198
GLY A 202
ILE A 262
ASP A 263
ASN A 305
 None
GTP  A 383 (-2.6A)
GTP  A 383 (-4.2A)
None
GTP  A 383 (-4.2A)
 0.83A 2nxeB-3lduA:
7.2		 2nxeB-3lduA:
22.25
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
LEU A 107
ILE A 126
LEU A 170
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.2A)
 0.71A 2nxeB-3lgaA:
17.8		 2nxeB-3lgaA:
24.05
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.
3m70 TELLURITE RESISTANCE
PROTEIN TEHB HOMOLOG

(Haemophilus
influenzae) 		PF03848
(TehB)
PF09313
(DUF1971) 		5 ASP A 126
LEU A 127
GLY A 128
GLY A 130
LEU A 197
 None
 0.77A 2nxeB-3m70A:
15.6		 2nxeB-3m70A:
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.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		5 PHE A 295
GLY A 294
GLY A  18
GLY A 290
LEU A  32
 None
 1.03A 2nxeB-3mkqA:
undetectable		 2nxeB-3mkqA:
15.54
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.
3mq2 16S RRNA
METHYLTRANSFERASE

(Streptoalloteichus
tenebrarius) 		PF02390
(Methyltransf_4) 		5 ASP A  30
GLY A  32
GLY A  34
ASP A  57
LEU A 108
 SAH  A 216 ( 4.7A)
SAH  A 216 (-3.5A)
SAH  A 216 (-3.4A)
None
SAH  A 216 (-4.0A)
 0.63A 2nxeB-3mq2A:
11.6		 2nxeB-3mq2A:
24.81
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 290
GLY A  50
GLY A 108
LEU A 318
LEU A 351
 None
 0.96A 2nxeB-3mwcA:
2.1		 2nxeB-3mwcA:
22.81
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.
3uzu RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Burkholderia
pseudomallei) 		PF00398
(RrnaAD) 		5 GLY A  46
GLY A  48
LEU A  52
ASP A  73
ASN A 117
 None
 0.78A 2nxeB-3uzuA:
12.1		 2nxeB-3uzuA:
24.49
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.
3v8v RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L

(Escherichia
coli) 		PF01170
(UPF0020)
PF02926
(THUMP)
PF10672
(Methyltrans_SAM) 		5 ASP A 195
GLY A 199
LEU A 203
ASP A 264
ASN A 309
 None
SAM  A 801 (-3.2A)
SAM  A 801 ( 4.7A)
None
SAM  A 801 (-4.5A)
 0.72A 2nxeB-3v8vA:
14.4		 2nxeB-3v8vA:
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.
3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 PHE A   9
GLY A   8
GLY A  11
GLY A 366
LEU A  66
 None
 0.95A 2nxeB-3w15A:
undetectable		 2nxeB-3w15A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wo8 BETA-N-ACETYLGLUCOSA
MINIDASE

(Thermotoga
maritima) 		PF00933
(Glyco_hydro_3) 		5 GLY A 143
LEU A 119
GLY A 133
ASN A  81
LEU A  82
 None
 0.81A 2nxeB-3wo8A:
undetectable		 2nxeB-3wo8A:
20.58
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.
4b56 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 1

(Mus musculus) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 LEU A 195
GLY A 532
ASN A 399
LEU A 398
LEU A 389
 None
 0.99A 2nxeB-4b56A:
undetectable		 2nxeB-4b56A:
15.07
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 ASP A  70
GLY A  72
GLY A  74
LEU A  78
LEU A 145
 SAH  A1689 ( 4.4A)
SAH  A1689 (-3.0A)
SAH  A1689 ( 3.7A)
SAH  A1689 (-4.5A)
SAH  A1689 (-4.4A)
 0.33A 2nxeB-4c4aA:
9.8		 2nxeB-4c4aA:
16.74
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.
4dcm RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G

(Escherichia
coli) 		PF05175
(MTS) 		6 PHE A 208
ASP A 234
LEU A 235
GLY A 236
GLY A 238
ASN A 305
 SAM  A 401 (-3.6A)
SAM  A 401 ( 4.2A)
None
SAM  A 401 (-3.5A)
SAM  A 401 ( 3.7A)
SAM  A 401 (-3.8A)
 0.37A 2nxeB-4dcmA:
14.0		 2nxeB-4dcmA:
24.32
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A  65
LEU A  56
GLY A  59
ASP A  81
ASN A  41
 None
None
None
None
SO4  A 607 ( 4.3A)
 0.78A 2nxeB-4e6eA:
4.0		 2nxeB-4e6eA:
25.93
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.
4eqf PEX5-RELATED PROTEIN

(Mus musculus) 		PF13181
(TPR_8)
PF13432
(TPR_16) 		5 PHE A 183
GLY A 181
GLY A 174
LEU A 179
ASP A 188
 None
 1.01A 2nxeB-4eqfA:
undetectable		 2nxeB-4eqfA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 ASP A 161
LEU A 162
GLY A 163
GLY A 165
ASN A 241
 AW2  A 502 (-2.9A)
None
AW2  A 502 (-3.2A)
AW2  A 502 (-3.5A)
AW2  A 502 (-4.3A)
 0.73A 2nxeB-4er6A:
11.9		 2nxeB-4er6A:
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.
4gc5 DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL

(Mus musculus) 		PF00398
(RrnaAD) 		5 GLY A  63
GLY A  65
ASP A  87
ASN A 141
LEU A 142
 ACT  A 402 (-3.4A)
None
None
None
None
 0.44A 2nxeB-4gc5A:
13.1		 2nxeB-4gc5A:
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.
4hbz PUTATIVE
PHOSPHOHISTIDINE
PHOSPHATASE, SIXA

(Nakamurella
multipartita) 		PF00300
(His_Phos_1) 		5 LEU A 148
GLY A 145
GLY A 143
LEU A 175
LEU A 159
 PGE  A 203 ( 4.8A)
None
None
None
None
 0.94A 2nxeB-4hbzA:
2.8		 2nxeB-4hbzA:
25.29
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.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		5 ASP A  58
GLY A  60
GLY A  62
ILE A  83
LEU A 130
 SAM  A 301 ( 4.6A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
None
 0.68A 2nxeB-4mwzA:
13.0		 2nxeB-4mwzA:
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.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 ASP Y  30
LEU Y  31
GLY Y  32
GLY Y  34
LEU Y 110
 SFG  Y 301 ( 4.7A)
None
SFG  Y 301 (-3.9A)
SFG  Y 301 (-3.1A)
SFG  Y 301 (-4.0A)
 0.72A 2nxeB-4ox9Y:
3.5		 2nxeB-4ox9Y:
22.22
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 ASP A  61
GLY A  63
GLY A  65
ILE A  86
LEU A 133
 SAH  A 302 ( 4.6A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.7A)
None
 0.61A 2nxeB-4r6wA:
13.4		 2nxeB-4r6wA:
17.28
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 ASP A 193
LEU A 194
GLY A 195
GLY A 197
LEU A 201
 None
None
SAM  A 401 (-3.0A)
SAM  A 401 (-4.2A)
None
 0.33A 2nxeB-4rfqA:
15.2		 2nxeB-4rfqA:
24.45
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.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		5 ASP A  29
GLY A  31
GLY A  33
ASP A  55
LEU A  97
 SAH  A 201 (-2.9A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.4A)
None
None
 0.67A 2nxeB-5bxyA:
17.4		 2nxeB-5bxyA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bxy RNA
METHYLTRANSFERASE

(Salinibacter
ruber) 		PF13847
(Methyltransf_31) 		5 ASP A  29
GLY A  31
GLY A  33
ILE A  54
ASP A  55
 SAH  A 201 (-2.9A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.4A)
SAH  A 201 (-3.9A)
None
 0.56A 2nxeB-5bxyA:
17.4		 2nxeB-5bxyA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ca5 NONO-1

(Caenorhabditis
elegans) 		PF00076
(RRM_1)
PF08075
(NOPS) 		5 GLY A 151
LEU A 118
GLY A 121
ILE A 170
LEU A 155
 None
 0.98A 2nxeB-5ca5A:
3.5		 2nxeB-5ca5A:
25.70
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.
5djs TETRATRICOPEPTIDE
TPR_2 REPEAT PROTEIN

(Thermobaculum
terrenum) 		PF13181
(TPR_8)
PF13844
(Glyco_transf_41) 		5 ASP A 371
LEU A 369
GLY A 368
GLY A  57
LEU A 339
 None
 1.02A 2nxeB-5djsA:
3.9		 2nxeB-5djsA:
21.70
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.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		5 ASP A 161
LEU A 162
GLY A 163
GLY A 165
ASN A 241
 None
None
None
None
5F7  A 401 (-3.6A)
 0.64A 2nxeB-5dtrA:
11.1		 2nxeB-5dtrA:
21.32
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.
5evj ARSENITE
METHYLTRANSFERASE

(Chlamydomonas
reinhardtii) 		PF13847
(Methyltransf_31) 		5 ASP A  89
LEU A  90
GLY A  91
GLY A  93
ASN A 169
 None
 0.74A 2nxeB-5evjA:
12.6		 2nxeB-5evjA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ex6 CYTOCHROME P450

(Streptomyces
toyocaensis) 		no annotation 5 GLY C 390
LEU C 252
GLY C 248
GLY C 246
LEU C 276
 None
 0.97A 2nxeB-5ex6C:
undetectable		 2nxeB-5ex6C:
23.18
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 GLY A 204
GLY A 275
ILE A 267
ASN A 278
LEU A 284
 None
None
None
KCX  A 129 ( 3.9A)
None
 0.96A 2nxeB-5j84A:
undetectable		 2nxeB-5j84A:
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.
5jho ELECTRONEUTRAL
SODIUM BICARBONATE
EXCHANGER 1

(Homo sapiens) 		PF07565
(Band_3_cyto) 		5 GLY A  51
ILE A 310
ASP A 313
LEU A 329
LEU A 120
 None
 0.90A 2nxeB-5jhoA:
undetectable		 2nxeB-5jhoA:
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.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		5 ASP A 133
LEU A 134
GLY A 135
GLY A 137
LEU A 203
 SAH  A 401 ( 4.9A)
None
SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-4.5A)
 0.78A 2nxeB-5kpgA:
12.5		 2nxeB-5kpgA:
20.65
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.
5o4g RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 5 GLY C 502
LEU C 433
GLY C 432
GLY C 500
ILE C 428
 None
 0.99A 2nxeB-5o4gC:
undetectable		 2nxeB-5o4gC:
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 124
GLY A 129
LEU A 152
ILE A 265
LEU A 236
 FAD  A 601 (-3.3A)
None
None
None
None
 0.87A 2nxeB-5u25A:
undetectable		 2nxeB-5u25A:
19.93
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.
5u4t PUTATIVE GENTAMICIN
METHYLTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 ASP A 129
GLY A 131
GLY A 133
LEU A 137
ASN A 194
 SAH  A 414 ( 3.7A)
SAH  A 414 (-3.0A)
SAH  A 414 (-2.8A)
SAH  A 414 ( 3.7A)
TRS  A 415 ( 2.3A)
 0.20A 2nxeB-5u4tA:
13.1		 2nxeB-5u4tA:
25.23
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.
5una 7SK SNRNA
METHYLPHOSPHATE
CAPPING ENZYME

(Homo sapiens) 		PF06859
(Bin3)
PF13847
(Methyltransf_31) 		5 ASP A 449
GLY A 451
ILE A 475
ASP A 476
LEU A 583
 None
SAH  A 701 (-3.2A)
SAH  A 701 (-3.8A)
None
SAH  A 701 (-4.4A)
 0.64A 2nxeB-5unaA:
13.2		 2nxeB-5unaA:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 5 GLY A 106
GLY A 108
ILE A 130
ASP A 131
LEU A 179
 TER  A 402 ( 4.1A)
CL  A 401 (-4.6A)
None
None
None
 0.66A 2nxeB-6bq6A:
12.2		 2nxeB-6bq6A:
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.
6fsh OXYB PROTEIN

(Actinoplanes
teichomyceticus) 		no annotation 5 GLY A 390
LEU A 252
GLY A 248
GLY A 246
LEU A 276
 None
 0.99A 2nxeB-6fshA:
undetectable		 2nxeB-6fshA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 ASP A 135
LEU A 136
GLY A 137
GLY A 139
LEU A 143
 None
None
SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
None
 0.84A 2nxeB-6gkvA:
11.4		 2nxeB-6gkvA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 ASP A 135
LEU A 136
GLY A 137
GLY A 139
LEU A 205
 None
None
SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
SAH  A 501 (-4.3A)
 0.75A 2nxeB-6gkvA:
11.4		 2nxeB-6gkvA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 GLY A  98
LEU A 136
GLY A 137
GLY A 139
LEU A 205
 SAH  A 501 (-3.9A)
None
SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
SAH  A 501 (-4.3A)
 0.87A 2nxeB-6gkvA:
11.4		 2nxeB-6gkvA:
undetectable