SIMILAR PATTERNS OF AMINO ACIDS FOR 5N5D_B_SAMB303

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.
1ati GLYCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A  11
ALA A  10
VAL A   9
ALA A 373
TYR A 296
 None
 0.99A 5n5dB-1atiA:
undetectable		 5n5dB-1atiA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0a PROTEIN (FOLD
BIFUNCTIONAL
PROTEIN)

(Escherichia
coli) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 LEU A 160
ALA A 162
VAL A 163
ILE A 256
ALA A   3
 None
 1.14A 5n5dB-1b0aA:
5.0		 5n5dB-1b0aA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1go3 DNA-DIRECTED RNA
POLYMERASE SUBUNIT E
DNA-DIRECTED RNA
POLYMERASE SUBUNIT F

(Methanocaldococcus
jannaschii;
Methanocaldococcus
jannaschii) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N)
PF03874
(RNA_pol_Rpb4) 		5 LEU E  46
VAL E  49
GLU F  16
ALA F  45
ALA F  18
 None
 1.00A 5n5dB-1go3E:
undetectable		 5n5dB-1go3E:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 301
ALA A 299
VAL A 296
ILE A   9
ALA A 114
 None
 1.08A 5n5dB-1ml4A:
4.6		 5n5dB-1ml4A:
25.32
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.
1pgv TROPOMODULIN TMD-1

(Caenorhabditis
elegans) 		no annotation 5 LEU A 257
ALA A 260
GLU A 287
ILE A 286
GLU A 281
 None
 1.06A 5n5dB-1pgvA:
undetectable		 5n5dB-1pgvA:
19.92
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 6 GLU A 499
ILE A 501
GLU A 509
ALA A 333
PHE A 524
ALA A 424
 None
 1.31A 5n5dB-1qi9A:
undetectable		 5n5dB-1qi9A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 6 LEU A 429
GLU A 499
ILE A 501
ALA A 333
PHE A 524
ALA A 424
 None
 1.31A 5n5dB-1qi9A:
undetectable		 5n5dB-1qi9A:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 GLU A  85
TYR A  92
ALA A 140
PHE A 161
ALA A 164
TYR A 172
 SAH  A 301 (-4.1A)
None
SAH  A 301 (-3.9A)
None
SAH  A 301 ( 3.7A)
None
 0.48A 5n5dB-1susA:
25.9		 5n5dB-1susA:
26.00
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.
1w8s FRUCTOSE-BISPHOSPHAT
E ALDOLASE CLASS I

(Thermoproteus
tenax) 		PF01791
(DeoC) 		5 VAL A 234
ILE A  76
GLU A  28
PHE A  55
ALA A 229
 None
None
FBP  A 270 (-4.9A)
None
None
 1.03A 5n5dB-1w8sA:
undetectable		 5n5dB-1w8sA:
24.28
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.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 ALA A 397
TYR A 398
ILE A 464
TRP A 469
ALA A 470
ALA A 427
 None
 1.50A 5n5dB-1w9xA:
undetectable		 5n5dB-1w9xA:
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.
1x0a MALATE/L-LACTATE
DEHYDROGENASE FAMILY
PROTEIN

(Thermus
thermophilus) 		PF02615
(Ldh_2) 		5 LEU A  38
ALA A  36
VAL A  41
ILE A 168
ALA A 308
 None
 0.90A 5n5dB-1x0aA:
undetectable		 5n5dB-1x0aA:
26.91
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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ALA A 840
VAL A 841
ILE A 826
ALA A 829
TYR A 855
 None
 1.03A 5n5dB-1x9nA:
undetectable		 5n5dB-1x9nA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE

(Escherichia
coli) 		PF04962
(KduI) 		5 LEU A 104
ALA A 103
VAL A 142
TYR A 166
ALA A 133
 None
 1.15A 5n5dB-1xruA:
undetectable		 5n5dB-1xruA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 LEU A 444
ALA A 445
ILE A 367
GLU A 348
ALA A 364
 None
 1.06A 5n5dB-1ygpA:
undetectable		 5n5dB-1ygpA:
15.16
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.
1zun SULFATE
ADENYLYLTRANSFERASE
SUBUNIT 2
SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae;
Pseudomonas
syringae group
genomosp. 3) 		PF01507
(PAPS_reduct)
PF00009
(GTP_EFTU) 		5 ALA B 300
VAL B 270
GLU A  14
ALA B 358
ALA B 266
 None
 1.07A 5n5dB-1zunB:
2.9		 5n5dB-1zunB:
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.
2buj SERINE/THREONINE-PRO
TEIN KINASE 16

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLU A  93
ILE A  51
GLU A  55
ALA A  62
TYR A  83
 None
 1.02A 5n5dB-2bujA:
undetectable		 5n5dB-2bujA:
22.68
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.
2edh OBSCURIN

(Homo sapiens) 		PF07679
(I-set) 		5 LEU A  26
GLU A  95
ILE A  20
GLU A  42
ALA A  47
 None
 1.10A 5n5dB-2edhA:
undetectable		 5n5dB-2edhA:
16.09
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.
2frv PERIPLASMIC
HYDROGENASE

(Desulfovibrio
gigas) 		no annotation 6 LEU L  94
ALA L  92
ILE L 212
GLU L 433
ALA L 209
PHE L 222
 None
 1.40A 5n5dB-2frvL:
undetectable		 5n5dB-2frvL:
18.73
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.
2fwm 2,3-DIHYDRO-2,3-DIHY
DROXYBENZOATE
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 LEU X  76
ALA X  75
VAL X   8
ILE X 218
ALA X  79
 None
 1.15A 5n5dB-2fwmX:
2.9		 5n5dB-2fwmX:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gpy O-METHYLTRANSFERASE

(Bacillus
halodurans) 		PF01596
(Methyltransf_3) 		5 GLU A  60
TYR A  67
ILE A  84
ALA A 114
PHE A 131
 None
 0.72A 5n5dB-2gpyA:
20.7		 5n5dB-2gpyA:
29.92
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 LEU A 808
ALA A 809
GLU A 818
ALA A 866
ALA A 815
 None
 1.10A 5n5dB-2hg4A:
undetectable		 5n5dB-2hg4A:
14.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		6 GLU A  66
TYR A  73
ALA A 121
PHE A 152
ALA A 155
TYR A 163
 SAH  A2001 ( 4.2A)
None
SAH  A2001 (-3.3A)
None
SAH  A2001 ( 3.8A)
None
 0.48A 5n5dB-2hnkA:
28.1		 5n5dB-2hnkA:
30.43
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.
2i4c BICARBONATE
TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF13379
(NMT1_2) 		5 ALA A 172
VAL A 165
TYR A 175
ALA A 208
TYR A 204
 None
 1.16A 5n5dB-2i4cA:
undetectable		 5n5dB-2i4cA:
18.20
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.
2jqa HYPOTHETICAL PROTEIN

(Deinococcus
radiodurans) 		PF04314
(PCuAC) 		5 ALA A  37
VAL A  38
ILE A 126
ALA A  64
ALA A  47
 None
 1.13A 5n5dB-2jqaA:
undetectable		 5n5dB-2jqaA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mxz L-ALANYL-D-GLUTAMATE
PEPTIDASE

(Escherichia
virus T5) 		PF13539
(Peptidase_M15_4) 		5 LEU A  30
VAL A  93
TYR A  33
PHE A  74
ALA A  24
 None
 1.07A 5n5dB-2mxzA:
undetectable		 5n5dB-2mxzA:
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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 LEU A 328
VAL A  39
GLU A 295
ALA A 252
ALA A 301
 None
 1.11A 5n5dB-2olsA:
2.2		 5n5dB-2olsA:
15.14
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.
2qvx 4-CHLOROBENZOATE COA
LIGASE

(Alcaligenes sp.
AL3007) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA X  70
VAL X  67
ILE X  97
ALA X  82
TYR X 160
 None
 1.08A 5n5dB-2qvxX:
undetectable		 5n5dB-2qvxX:
20.04
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.
2vfa HYPOXANTHINE-GUANINE
-XANTHINE
PHOSPHORIBOSYLTRANSF
ERASE,
HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Plasmodium
falciparum;
Homo sapiens) 		PF00156
(Pribosyltran) 		5 ALA A  84
TYR A  80
ILE A 140
PHE A 107
ALA A  72
 None
 1.14A 5n5dB-2vfaA:
3.1		 5n5dB-2vfaA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vvr RIBOSE-5-PHOSPHATE
ISOMERASE B

(Escherichia
coli) 		PF02502
(LacAB_rpiB) 		5 LEU A  52
ALA A  55
VAL A  54
ILE A  74
ALA A  47
 None
 1.06A 5n5dB-2vvrA:
undetectable		 5n5dB-2vvrA:
21.05
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.
2w8z 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Geobacillus
stearothermophilus) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 LEU A 426
ALA A 425
GLU A 198
ILE A 417
GLU A 407
 None
 1.02A 5n5dB-2w8zA:
6.8		 5n5dB-2w8zA:
18.70
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.
2x2g TRIOSEPHOSPHATE
ISOMERASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00121
(TIM) 		5 ALA A 140
GLU A 185
GLU A 135
ALA A 178
TYR A 210
 None
 1.09A 5n5dB-2x2gA:
2.6		 5n5dB-2x2gA:
22.09
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.
2xod NRDI PROTEIN

(Bacillus
anthracis) 		PF07972
(Flavodoxin_NdrI) 		5 ALA A   4
VAL A   3
ILE A  93
PHE A 109
ALA A  68
 None
 1.11A 5n5dB-2xodA:
undetectable		 5n5dB-2xodA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		5 LEU A  50
ALA A  49
VAL A  21
ILE A 179
ALA A 168
 None
 1.05A 5n5dB-2zleA:
undetectable		 5n5dB-2zleA:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 VAL A  42
GLU A  64
TYR A  71
ILE A  89
PHE A 139
 SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
None
SAM  A 301 ( 4.9A)
None
 0.46A 5n5dB-3bwmA:
22.8		 5n5dB-3bwmA:
30.67
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		7 GLU A  76
TYR A  83
ILE A 101
ALA A 131
PHE A 152
ALA A 155
TYR A 163
 SAH  A 464 ( 4.2A)
None
None
SAH  A 464 (-3.5A)
None
SAH  A 464 (-3.7A)
None
 0.42A 5n5dB-3c3yA:
27.7		 5n5dB-3c3yA:
27.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		6 GLU A  66
TYR A  73
ALA A 121
PHE A 141
ALA A 144
TYR A 152
 SAH  A 301 ( 4.4A)
None
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.4A)
None
 0.26A 5n5dB-3cbgA:
28.6		 5n5dB-3cbgA:
33.62
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.
3cfx UPF0100 PROTEIN
MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		5 LEU A 173
ALA A 174
TYR A 143
ALA A 163
TYR A 245
 None
None
None
WO4  A 701 (-3.4A)
WO4  A 701 (-4.3A)
 1.08A 5n5dB-3cfxA:
undetectable		 5n5dB-3cfxA:
24.09
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.
3dew TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Geobacter
sulfurreducens) 		PF00440
(TetR_N) 		5 LEU A  85
ALA A  83
VAL A  80
ILE A 121
ALA A 155
 None
None
None
None
ACY  A 209 ( 4.0A)
 1.12A 5n5dB-3dewA:
undetectable		 5n5dB-3dewA:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3do6 FORMATE--TETRAHYDROF
OLATE LIGASE

(Thermotoga
maritima) 		PF01268
(FTHFS) 		5 ALA A 473
GLU A 296
ILE A 436
GLU A 431
ALA A 438
 None
 1.16A 5n5dB-3do6A:
undetectable		 5n5dB-3do6A:
19.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		6 GLU A  64
TYR A  71
ALA A 119
PHE A 138
ALA A 141
TYR A 149
 None
 0.78A 5n5dB-3dulA:
26.7		 5n5dB-3dulA:
47.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3er7 UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Exiguobacterium
sibiricum) 		PF12680
(SnoaL_2) 		5 VAL A  57
ILE A 112
GLU A  43
ALA A 104
PHE A  14
 None
 1.12A 5n5dB-3er7A:
undetectable		 5n5dB-3er7A:
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.
3fut DIMETHYLADENOSINE
TRANSFERASE

(Thermus
thermophilus) 		PF00398
(RrnaAD) 		5 LEU A  57
ALA A  59
GLU A  52
ILE A  74
GLU A  85
 None
 1.15A 5n5dB-3futA:
12.8		 5n5dB-3futA:
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.
3hjz TRANSALDOLASE B

(Prochlorococcus
marinus) 		PF00923
(TAL_FSA) 		5 TYR A 278
GLU A 282
ALA A 146
PHE A 221
ALA A 173
 None
 1.15A 5n5dB-3hjzA:
undetectable		 5n5dB-3hjzA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ALA A 249
VAL A 248
GLU A 241
TYR A 256
ALA A 278
 None
 0.98A 5n5dB-3k28A:
3.2		 5n5dB-3k28A:
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.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ALA A 249
VAL A 248
GLU A 241
TYR A 256
GLU A 104
 None
 1.02A 5n5dB-3k28A:
3.2		 5n5dB-3k28A:
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.
3k6x SOLUTE-BINDING
PROTEIN MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		5 LEU A 173
ALA A 174
TYR A 143
ALA A 163
TYR A 245
 None
None
None
MOO  A 500 (-3.3A)
MOO  A 500 (-4.7A)
 1.08A 5n5dB-3k6xA:
undetectable		 5n5dB-3k6xA:
22.07
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.
3kwk PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE

(Bacteroides
thetaiotaomicron) 		PF00881
(Nitroreductase) 		5 LEU A 164
VAL A 157
TYR A 161
ILE A 174
ALA A 129
 None
 1.12A 5n5dB-3kwkA:
undetectable		 5n5dB-3kwkA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3luy PROBABLE CHORISMATE
MUTASE

(Bifidobacterium
adolescentis) 		PF00800
(PDT) 		5 VAL A 206
ILE A  58
GLU A 187
ALA A  23
ALA A  86
 None
 1.06A 5n5dB-3luyA:
undetectable		 5n5dB-3luyA:
22.51
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.
3ly1 PUTATIVE
HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Pectobacterium
atrosepticum) 		PF00155
(Aminotran_1_2) 		5 LEU A 100
ALA A 101
VAL A 106
ALA A 123
ALA A 265
 None
 0.98A 5n5dB-3ly1A:
3.2		 5n5dB-3ly1A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 200
ALA A 201
ILE A 191
ALA A 190
ALA A 152
 None
 1.12A 5n5dB-3n0gA:
undetectable		 5n5dB-3n0gA:
18.00
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.
3nqp SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLU A 465
TYR A 447
ILE A 462
GLU A 451
ALA A 414
 None
 1.11A 5n5dB-3nqpA:
undetectable		 5n5dB-3nqpA:
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		6 VAL A  55
GLU A  77
TYR A  84
ILE A 101
ALA A 131
PHE A 147
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
SO4  A 233 (-4.9A)
None
None
None
 0.48A 5n5dB-3ntvA:
22.8		 5n5dB-3ntvA:
24.90
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.
3obw PROTEIN PELOTA
HOMOLOG

(Sulfolobus
solfataricus) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		5 ALA A 222
GLU A 229
ILE A 104
GLU A  80
ALA A  12
 None
 1.00A 5n5dB-3obwA:
undetectable		 5n5dB-3obwA:
21.24
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.
3p41 GERANYLTRANSTRANSFER
ASE

(Pseudomonas
protegens) 		PF00348
(polyprenyl_synt) 		5 LEU A 194
ALA A 195
ILE A  75
GLU A 186
ALA A 148
 None
 1.09A 5n5dB-3p41A:
undetectable		 5n5dB-3p41A:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		7 VAL A  44
GLU A  66
TYR A  73
ALA A 121
PHE A 141
ALA A 144
TYR A 152
 None
 0.76A 5n5dB-3r3hA:
26.3		 5n5dB-3r3hA:
28.23
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.
3r9u THIOREDOXIN
REDUCTASE

(Campylobacter
jejuni) 		PF07992
(Pyr_redox_2) 		5 ALA A 274
VAL A 273
ILE A   6
ALA A  16
ALA A 300
 None
 1.07A 5n5dB-3r9uA:
3.6		 5n5dB-3r9uA:
20.62
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 TYR A 166
ILE A  26
GLU A  69
ALA A  77
ALA A 100
 PHE  A 400 (-3.8A)
None
None
None
None
 1.08A 5n5dB-3td9A:
undetectable		 5n5dB-3td9A:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		7 VAL A  45
GLU A  67
TYR A  74
ALA A 122
PHE A 139
ALA A 142
TYR A 150
 None
 0.51A 5n5dB-3tfwA:
33.7		 5n5dB-3tfwA:
43.37
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.
3u0j TYPE III EFFECTOR
HOPU1

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 ALA B 156
VAL B 155
GLU B 235
ALA B  88
ALA B 148
 None
 0.92A 5n5dB-3u0jB:
undetectable		 5n5dB-3u0jB:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a35 MITOCHONDRIAL
ENOLASE SUPERFAMILY
MEMBER 1

(Homo sapiens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  76
ALA A  77
VAL A  80
ILE A  58
ALA A 120
 None
 1.14A 5n5dB-4a35A:
3.4		 5n5dB-4a35A:
19.50
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 LEU A 304
VAL A 307
TYR A 282
ILE A 449
ALA A 379
 None
None
None
AMP  A1472 (-3.7A)
AMP  A1472 ( 4.4A)
 0.83A 5n5dB-4b8sA:
3.8		 5n5dB-4b8sA:
20.09
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.
4bma UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Aspergillus
fumigatus) 		PF01704
(UDPGP) 		5 LEU A 235
ALA A 243
VAL A 244
ALA A  42
PHE A  69
 None
 1.10A 5n5dB-4bmaA:
2.3		 5n5dB-4bmaA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4chu HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ISCR

(Escherichia
coli) 		PF02082
(Rrf2) 		5 LEU A  15
ALA A  18
VAL A  17
PHE A  46
ALA A  10
 None
 1.05A 5n5dB-4chuA:
undetectable		 5n5dB-4chuA:
24.20
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.
4cxf RNA POLYMERASE SIGMA
FACTOR CNRH
CNRY

(Cupriavidus
metallidurans;
Cupriavidus
metallidurans) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
PF17524
(CnrY) 		5 LEU A 128
ALA A 129
ILE A 146
ALA A 150
ALA B  11
 None
 1.11A 5n5dB-4cxfA:
undetectable		 5n5dB-4cxfA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dal PUTATIVE ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 LEU A 300
ALA A 298
GLU A 345
ILE A 344
ALA A 338
 None
 1.04A 5n5dB-4dalA:
4.2		 5n5dB-4dalA:
21.87
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.
4e04 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB1

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU A 211
ALA A 208
ILE A 283
ALA A 305
PHE A 174
 None
LBV  A 400 ( 3.7A)
None
None
None
 1.13A 5n5dB-4e04A:
undetectable		 5n5dB-4e04A:
22.45
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.
4e77 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Yersinia pestis) 		PF00202
(Aminotran_3) 		6 LEU A 247
ALA A 246
VAL A 245
GLU A 238
TYR A 253
ALA A 275
 None
 1.17A 5n5dB-4e77A:
undetectable		 5n5dB-4e77A:
20.05
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.
4f9o HEXOKINASE-1

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ALA A 183
VAL A 180
ILE A 193
ALA A 201
PHE A 127
 None
 1.14A 5n5dB-4f9oA:
undetectable		 5n5dB-4f9oA:
15.83
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.
4g3m RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Bacillus
subtilis) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 LEU A 126
ALA A 127
ILE A  67
GLU A   2
ALA A   9
 None
 1.09A 5n5dB-4g3mA:
3.0		 5n5dB-4g3mA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 LEU B 251
ALA B 252
GLU B 199
ALA B 206
ALA B 182
 None
 1.15A 5n5dB-4hdsB:
undetectable		 5n5dB-4hdsB:
22.10
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.
4hf0 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ISCR

(Escherichia
coli) 		PF02082
(Rrf2) 		5 LEU A  15
ALA A  18
VAL A  17
PHE A  46
ALA A  10
 None
 1.10A 5n5dB-4hf0A:
undetectable		 5n5dB-4hf0A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jn6 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		5 LEU A 130
ALA A 127
ILE A  83
GLU A  99
ALA A  75
 None
 1.10A 5n5dB-4jn6A:
undetectable		 5n5dB-4jn6A:
22.78
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A  80
VAL A  79
GLU A 348
ALA A  51
PHE A  56
 None
None
K  A 501 (-3.5A)
None
None
 1.07A 5n5dB-4ls5A:
undetectable		 5n5dB-4ls5A:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		6 GLU A  62
ILE A  87
ALA A 117
PHE A 134
ALA A 137
TYR A 145
 SAM  A 301 ( 4.4A)
None
SAM  A 301 (-3.3A)
None
SAM  A 301 ( 3.9A)
None
 0.22A 5n5dB-4pclA:
29.3		 5n5dB-4pclA:
31.12
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.
4rvc ABC TRANSPORTER
ATP-BINDING PROTEIN

(Geobacillus
kaustophilus) 		PF00005
(ABC_tran) 		5 LEU A 189
ALA A  33
VAL A  32
ILE A  50
GLU A  83
 None
 1.16A 5n5dB-4rvcA:
undetectable		 5n5dB-4rvcA:
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.
4u83 ACYL-COA
DEHYDROGENASE

(Brucella
abortus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TYR A 360
ILE A 165
GLU A 125
ALA A 181
ALA A 233
 None
 1.16A 5n5dB-4u83A:
undetectable		 5n5dB-4u83A:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		6 GLU A  71
TYR A  78
ALA A 127
PHE A 142
ALA A 145
TYR A 153
 SAM  A1001 ( 4.4A)
None
SAM  A1001 (-3.4A)
None
SAM  A1001 ( 3.5A)
None
 0.49A 5n5dB-4ymgA:
25.5		 5n5dB-4ymgA:
30.36
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.
5ch6 FRIGIDA

(Vitis vinifera) 		PF07899
(Frigida) 		5 LEU A 239
ALA A 242
VAL A 241
GLU A 266
ALA A 234
 None
 1.12A 5n5dB-5ch6A:
undetectable		 5n5dB-5ch6A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ci5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudothermotoga
lettingae) 		PF13416
(SBP_bac_8) 		5 LEU A 138
ALA A 283
ILE A 276
ALA A 252
PHE A 266
 None
 1.05A 5n5dB-5ci5A:
undetectable		 5n5dB-5ci5A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 LEU A 100
ALA A  97
GLU A 136
ALA A  47
ALA A 105
 None
 1.16A 5n5dB-5cwiA:
undetectable		 5n5dB-5cwiA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 LEU A 160
ALA A 157
GLU A 196
ALA A 107
ALA A 165
 None
 0.95A 5n5dB-5cwiA:
undetectable		 5n5dB-5cwiA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwl DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 LEU A 119
ALA A 122
VAL A 121
GLU A 148
ALA A 114
 None
 1.12A 5n5dB-5cwlA:
2.2		 5n5dB-5cwlA:
24.79
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.
5cwn DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 LEU A  87
ALA A  90
VAL A  89
ALA A  70
ALA A  82
 PG4  A 303 ( 3.7A)
None
PG4  A 301 ( 4.2A)
None
None
 1.14A 5n5dB-5cwnA:
undetectable		 5n5dB-5cwnA:
23.69
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.
5cwn DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 LEU A 137
ALA A 140
VAL A 139
ALA A 120
ALA A 132
 None
 1.16A 5n5dB-5cwnA:
undetectable		 5n5dB-5cwnA:
23.69
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.
5cwq DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 5 ALA A 184
TYR A 181
GLU A 132
ALA A 123
ALA A 163
 None
 1.11A 5n5dB-5cwqA:
undetectable		 5n5dB-5cwqA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5euh PUTATIVE GGDEF
DOMAIN MEMBRANE
PROTEIN

(Pseudomonas
fluorescens) 		PF00990
(GGDEF) 		5 ALA A 396
ILE A 463
GLU A 447
ALA A 439
PHE A 423
 None
 1.02A 5n5dB-5euhA:
undetectable		 5n5dB-5euhA:
20.52
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.
5gin 50S RIBOSOMAL
PROTEIN L7AE

(Sulfolobus
solfataricus) 		PF01248
(Ribosomal_L7Ae) 		5 ALA C  25
VAL C  22
ILE C  78
GLU C 106
ALA C 103
 None
 1.15A 5n5dB-5ginC:
undetectable		 5n5dB-5ginC:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i92 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		6 LEU A 247
ALA A 246
VAL A 245
GLU A 238
TYR A 253
ALA A 275
 None
 1.17A 5n5dB-5i92A:
undetectable		 5n5dB-5i92A:
22.00
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 GLU A  99
TYR A 106
ALA A 154
PHE A 175
ALA A 178
TYR A 186
 SAM  A 301 ( 4.0A)
None
SAM  A 301 (-3.7A)
None
SAM  A 301 (-3.7A)
None
 0.55A 5n5dB-5kvaA:
26.8		 5n5dB-5kvaA:
27.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		6 GLU A  65
TYR A  72
ALA A 120
PHE A 140
ALA A 143
TYR A 151
 SAH  A1001 ( 4.4A)
None
SAH  A1001 (-3.4A)
None
SAH  A1001 (-3.7A)
None
 0.27A 5n5dB-5logA:
29.3		 5n5dB-5logA:
34.55
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN
MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 LEU B 407
ALA B 408
VAL B 409
ILE B 497
GLU A 224
 None
 1.11A 5n5dB-5mkkB:
undetectable		 5n5dB-5mkkB:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		11 LEU A  39
ALA A  40
VAL A  41
GLU A  63
TYR A  70
ILE A  88
GLU A  91
ALA A 118
PHE A 137
ALA A 140
TYR A 148
 SAM  A 306 (-3.5A)
SAM  A 306 (-3.3A)
SAM  A 306 (-3.4A)
SAM  A 306 ( 3.6A)
None
SAM  A 306 ( 4.2A)
None
SAM  A 306 (-3.5A)
BU3  A 301 (-4.1A)
SAM  A 306 (-3.6A)
None
 0.19A 5n5dB-5n5dA:
40.6		 5n5dB-5n5dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		10 VAL A  41
GLU A  63
TYR A  70
ILE A  88
TRP A  90
GLU A  91
ALA A 118
PHE A 137
ALA A 140
TYR A 148
 SAM  A 306 (-3.4A)
SAM  A 306 ( 3.6A)
None
SAM  A 306 ( 4.2A)
None
None
SAM  A 306 (-3.5A)
BU3  A 301 (-4.1A)
SAM  A 306 (-3.6A)
None
 0.98A 5n5dB-5n5dA:
40.6		 5n5dB-5n5dA:
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		5 ALA A  20
VAL A  19
PHE A  58
ALA A  14
TYR A  53
 None
 1.05A 5n5dB-5t13A:
undetectable		 5n5dB-5t13A:
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.
5v3e TRANSCRIPTIONAL
REGULATOR

(Porphyromonas
gingivalis) 		no annotation 5 LEU A  80
ALA A  81
VAL A  82
GLU A 106
ALA A 104
 None
 1.12A 5n5dB-5v3eA:
undetectable		 5n5dB-5v3eA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		8 ALA A  41
VAL A  42
GLU A  64
ILE A  89
ALA A 120
PHE A 136
ALA A 139
TYR A 147
 SAM  A 301 (-4.2A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.7A)
None
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.5A)
None
 0.43A 5n5dB-5x7fA:
26.8		 5n5dB-5x7fA:
34.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		8 ALA A  41
VAL A  42
GLU A  64
ILE A  89
GLU A  92
ALA A 120
PHE A 136
ALA A 139
 SAM  A 301 (-4.2A)
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.7A)
None
None
SAM  A 301 (-3.5A)
None
SAM  A 301 (-3.5A)
 0.64A 5n5dB-5x7fA:
26.8		 5n5dB-5x7fA:
34.78
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 6 GLU A  60
TYR A  67
ILE A  84
ALA A 114
PHE A 131
ALA A 134
 SAM  A 302 (-3.9A)
None
SAM  A 302 ( 4.7A)
SAM  A 302 (-3.7A)
None
SAM  A 302 (-3.4A)
 0.55A 5n5dB-5zw4A:
24.5		 5n5dB-5zw4A:
28.93
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 LEU A 385
ALA A 384
GLU A 321
ILE A 275
TRP A 257
 None
 1.05A 5n5dB-6eoqA:
undetectable		 5n5dB-6eoqA:
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A  79
ALA A  78
VAL A  77
PHE A  65
ALA A 270
 None
 1.15A 5n5dB-6fv4A:
undetectable		 5n5dB-6fv4A:
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.
1a7j PHOSPHORIBULOKINASE

(Rhodobacter
sphaeroides) 		PF00485
(PRK) 		4 GLY A  41
SER A  14
ARG A  94
ASP A  42
 None
 0.98A 5n5dB-1a7jA:
undetectable		 5n5dB-1a7jA:
23.05
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.
1bhe POLYGALACTURONASE

(Pectobacterium
carotovorum) 		PF00295
(Glyco_hydro_28) 		4 GLY A 184
PHE A 185
SER A 209
ASN A 110
 None
 1.10A 5n5dB-1bheA:
undetectable		 5n5dB-1bheA:
20.26
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.
1d5y ROB TRANSCRIPTION
FACTOR

(Escherichia
coli) 		PF06445
(GyrI-like)
PF12833
(HTH_18) 		4 GLY A 235
PHE A 239
SER A 153
ASN A 278
 None
 1.05A 5n5dB-1d5yA:
undetectable		 5n5dB-1d5yA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A  27
PHE A 528
GLU A 511
ARG A 132
 None
 1.08A 5n5dB-1fepA:
undetectable		 5n5dB-1fepA:
15.60
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.
1h32 CYTOCHROME C

(Rhodovulum
sulfidophilum) 		PF00034
(Cytochrom_C) 		4 GLY B 124
GLU B   2
ARG B 118
ASP B 128
 None
 1.03A 5n5dB-1h32B:
undetectable		 5n5dB-1h32B:
23.50
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		4 GLY A 134
PHE A 133
GLU A  19
ASP A 242
 None
 1.02A 5n5dB-1r8gA:
undetectable		 5n5dB-1r8gA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		4 GLY A 134
PHE A 133
GLU A  19
ASP A 242
 None
 1.05A 5n5dB-1tt4A:
undetectable		 5n5dB-1tt4A:
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.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 GLY A 123
SER A 163
ARG A  68
ASP A 180
 PO4  A 701 (-3.6A)
None
None
None
 0.82A 5n5dB-1udqA:
undetectable		 5n5dB-1udqA:
23.75
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.
1w3i 2-KETO-3-DEOXY
GLUCONATE ALDOLASE

(Sulfolobus
solfataricus) 		PF00701
(DHDPS) 		4 GLY A  95
PHE A  71
SER A 123
ASN A  67
 None
None
GOL  A1297 ( 4.8A)
None
 0.98A 5n5dB-1w3iA:
undetectable		 5n5dB-1w3iA:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 GLY A 110
PHE A 112
SER A 116
GLU A 134
ASP A 185
 SAM  A 501 (-3.4A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.25A 5n5dB-2avdA:
28.6		 5n5dB-2avdA:
34.60
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.
2c1l RESTRICTION
ENDONUCLEASE

(Bacillus firmus) 		PF13091
(PLDc_2) 		4 GLY A  18
PHE A   4
SER A 122
ASN A   9
 None
 1.08A 5n5dB-2c1lA:
2.5		 5n5dB-2c1lA:
20.86
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.
2e11 HYDROLASE

(Xanthomonas
campestris) 		PF00795
(CN_hydrolase) 		4 GLY A 259
PHE A 156
ARG A 190
ASP A 258
 None
 0.98A 5n5dB-2e11A:
undetectable		 5n5dB-2e11A:
24.73
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.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 SER A  71
ARG A 303
ASP A 207
ASN A 306
 None
 0.98A 5n5dB-2eb0A:
undetectable		 5n5dB-2eb0A:
21.68
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.
2gv9 DNA POLYMERASE

(Human
alphaherpesvirus
1) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 GLY A 497
PHE A 499
ASP A 488
ASN A 494
 None
 1.09A 5n5dB-2gv9A:
undetectable		 5n5dB-2gv9A:
11.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		4 GLY A  68
PHE A  70
SER A  74
ASP A 154
 SAH  A2001 (-3.3A)
SAH  A2001 (-4.4A)
SAH  A2001 (-2.9A)
SAH  A2001 (-3.3A)
 0.34A 5n5dB-2hnkA:
28.1		 5n5dB-2hnkA:
30.43
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.
2j0w LYSINE-SENSITIVE
ASPARTOKINASE 3

(Escherichia
coli) 		PF00696
(AA_kinase)
PF01842
(ACT) 		4 GLY A 199
SER A  39
ARG A 305
ASP A 202
 ASP  A 502 (-3.1A)
ASP  A 502 (-3.4A)
None
MG  A 900 (-3.9A)
 1.12A 5n5dB-2j0wA:
undetectable		 5n5dB-2j0wA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3j UDP-GLUCOSE
6-DEHYDROGENASE

(Caenorhabditis
elegans) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 GLY A  21
PHE A  91
SER A 135
ARG A  70
 None
 1.04A 5n5dB-2o3jA:
6.7		 5n5dB-2o3jA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pk0 SERINE/THREONINE
PROTEIN PHOSPHATASE
STP1

(Streptococcus
agalactiae) 		PF13672
(PP2C_2) 		4 GLY A  37
SER A 119
ASP A  18
ASN A  15
 MG  A 501 (-4.0A)
None
MG  A 502 ( 4.7A)
None
 1.09A 5n5dB-2pk0A:
undetectable		 5n5dB-2pk0A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qy6 UPF0209 PROTEIN YFCK

(Escherichia
coli) 		PF05430
(Methyltransf_30) 		4 GLY A  86
GLU A 121
ASP A 198
ASN A 205
 None
 0.72A 5n5dB-2qy6A:
12.0		 5n5dB-2qy6A:
25.36
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus;
Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro)
PF00148
(Oxidored_nitro) 		4 PHE A  50
ARG B  43
ASP B  36
ASN B  40
 None
None
SF4  A 602 (-2.8A)
None
 1.02A 5n5dB-2xdqA:
undetectable		 5n5dB-2xdqA:
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.
2xfb E1 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		PF01589
(Alpha_E1_glycop) 		4 GLY A 201
PHE A 240
ARG A 206
ASP A 202
 None
 0.90A 5n5dB-2xfbA:
undetectable		 5n5dB-2xfbA:
20.95
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.
2ymz GALECTIN 2

(Gallus gallus) 		PF00337
(Gal-bind_lectin) 		4 GLY A 121
PHE A  31
SER A  25
ASN A 118
 None
None
SO4  A1132 ( 3.9A)
None
 1.01A 5n5dB-2ymzA:
undetectable		 5n5dB-2ymzA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 PHE A 143
SER A  38
GLU A 146
ASN A 106
 None
 1.07A 5n5dB-3bitA:
undetectable		 5n5dB-3bitA:
17.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 GLY A  66
SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-3.2A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.19A 5n5dB-3bwmA:
22.8		 5n5dB-3bwmA:
30.67
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		4 GLY A  78
PHE A  80
SER A  84
ASP A 154
 SAH  A 464 (-3.7A)
SAH  A 464 (-4.9A)
SAH  A 464 (-2.8A)
CA  A 238 ( 2.2A)
 0.33A 5n5dB-3c3yA:
27.7		 5n5dB-3c3yA:
27.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		4 GLY A  68
PHE A  70
SER A  74
ASP A 143
 SAH  A 301 (-3.7A)
SAH  A 301 (-4.8A)
SAH  A 301 (-2.9A)
MG  A 401 ( 2.7A)
 0.34A 5n5dB-3cbgA:
28.6		 5n5dB-3cbgA:
33.62
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.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 4 GLY A  37
SER A  41
GLU A  57
ASP A 128
 None
 0.26A 5n5dB-3cvoA:
13.5		 5n5dB-3cvoA:
26.45
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.
3djd FRUCTOSYL AMINE:
OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		4 GLY A 105
GLU A 261
ARG A 411
ASP A 107
 None
 1.10A 5n5dB-3djdA:
2.1		 5n5dB-3djdA:
21.19
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.
3ewm UNCHARACTERIZED
SUGAR KINASE PH1459

(Pyrococcus
horikoshii) 		PF00294
(PfkB) 		4 GLY A  20
SER A 100
GLU A  19
ASP A  21
 None
 0.89A 5n5dB-3ewmA:
3.1		 5n5dB-3ewmA:
21.78
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.
3h75 PERIPLASMIC
SUGAR-BINDING DOMAIN
PROTEIN

(Pseudomonas
protegens) 		PF13407
(Peripla_BP_4) 		4 GLY A  60
PHE A  66
SER A  71
GLU A  64
 None
GOL  A 402 ( 4.0A)
None
None
 1.12A 5n5dB-3h75A:
2.8		 5n5dB-3h75A:
25.07
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		4 GLY A  12
GLU A  35
ARG A 138
ASP A 179
 FAD  A 536 (-3.1A)
FAD  A 536 (-2.9A)
SO4  A 544 (-3.2A)
None
 1.08A 5n5dB-3ihgA:
3.1		 5n5dB-3ihgA:
19.51
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.
3iqx TAIL-ANCHORED
PROTEIN TARGETING
FACTOR GET3

(Chaetomium
thermophilum) 		PF02374
(ArsA_ATPase) 		4 GLY A  33
PHE A  31
SER A  44
ARG A 252
 None
 0.76A 5n5dB-3iqxA:
undetectable		 5n5dB-3iqxA:
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLY A 286
SER A 211
GLU A 289
ASP A 284
 None
 0.99A 5n5dB-3iv0A:
undetectable		 5n5dB-3iv0A:
18.16
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.
3izq ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF08938
(HBS1_N) 		4 GLY 1 428
ARG 1 588
ASP 1 399
ASN 1 586
 None
 1.06A 5n5dB-3izq1:
undetectable		 5n5dB-3izq1:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kc2 UNCHARACTERIZED
PROTEIN YKR070W

(Saccharomyces
cerevisiae) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 GLY A  55
PHE A 161
SER A 103
ASN A 204
 None
 0.99A 5n5dB-3kc2A:
3.5		 5n5dB-3kc2A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3km5 LYSINE SPECIFIC
CYSTEINE PROTEASE

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		4 GLY A1246
PHE A1244
SER A1211
ASN A1272
 None
 1.12A 5n5dB-3km5A:
undetectable		 5n5dB-3km5A:
21.68
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		4 GLY A 153
SER A  41
ARG A 368
ASP A 156
 None
 1.05A 5n5dB-3l76A:
undetectable		 5n5dB-3l76A:
18.86
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.
3ocj PUTATIVE EXPORTED
PROTEIN

(Bordetella
parapertussis) 		PF13847
(Methyltransf_31) 		4 GLY A 125
ARG A  70
ASP A 147
ASN A  64
 None
 0.99A 5n5dB-3ocjA:
13.2		 5n5dB-3ocjA:
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 GLY A  66
GLU A 101
ASP A 178
ASN A 185
 SAM  A 670 (-3.5A)
SAM  A 670 (-2.6A)
SAM  A 670 (-3.4A)
SAM  A 670 ( 4.1A)
 0.72A 5n5dB-3ps9A:
11.5		 5n5dB-3ps9A:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s7x MAJOR CAPSID PROTEIN
VP1

(Human
polyomavirus 4) 		PF00718
(Polyoma_coat) 		4 GLY A 254
GLU A 118
ARG A 121
ASP A 249
 None
 1.07A 5n5dB-3s7xA:
undetectable		 5n5dB-3s7xA:
24.38
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.
3s9v ABIETADIENE
SYNTHASE,
CHLOROPLASTIC

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 GLY A 462
PHE A 460
SER A 422
ASN A 808
 None
 1.08A 5n5dB-3s9vA:
undetectable		 5n5dB-3s9vA:
13.49
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.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 302
PHE A 303
GLU A 326
ASP A  45
 None
 1.05A 5n5dB-3sjnA:
undetectable		 5n5dB-3sjnA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3svt SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF13561
(adh_short_C2) 		4 GLY A 191
SER A 151
ARG A 194
ASP A 249
 None
 1.07A 5n5dB-3svtA:
8.4		 5n5dB-3svtA:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 GLY A1558
PHE A1560
ARG A1591
ASP A1555
 None
ACR  A   1 (-3.7A)
None
None
 0.97A 5n5dB-3topA:
undetectable		 5n5dB-3topA:
13.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		4 GLY A  69
PHE A  71
SER A  75
ASP A 144
 SAH  A 224 (-3.9A)
SAH  A 224 (-4.8A)
SAH  A 224 (-2.8A)
NI  A 223 ( 2.5A)
 0.30A 5n5dB-3tr6A:
28.8		 5n5dB-3tr6A:
30.74
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.
3twd BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep) 		4 GLY A 373
SER A 359
GLU A 371
ASP A 374
 None
 1.11A 5n5dB-3twdA:
undetectable		 5n5dB-3twdA:
22.36
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		4 GLY A 104
GLU A 133
ASP A 193
ASN A 200
 SAM  A 501 (-3.6A)
SAM  A 501 (-2.3A)
SAM  A 501 (-3.8A)
SAM  A 501 (-3.2A)
 0.72A 5n5dB-3vywA:
11.9		 5n5dB-3vywA:
20.95
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.
3w3a V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 GLU D 450
ARG D 453
ASP D 408
ASN D 388
 None
 1.11A 5n5dB-3w3aD:
undetectable		 5n5dB-3w3aD:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wpw POMB

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		4 GLY A 199
PHE A 196
GLU A 192
ASN A 244
 None
 1.00A 5n5dB-3wpwA:
undetectable		 5n5dB-3wpwA:
20.35
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.
3wz4 DOTI

(Legionella
pneumophila) 		PF11393
(T4BSS_DotI_IcmL) 		4 GLY A 198
PHE A 107
SER A 193
ARG A 159
 None
None
None
MPD  A 504 (-2.7A)
 0.87A 5n5dB-3wz4A:
undetectable		 5n5dB-3wz4A:
18.58
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.
4azv WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		4 GLY A 371
PHE A 281
ARG A 353
ASN A 356
 None
 1.02A 5n5dB-4azvA:
14.2		 5n5dB-4azvA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4azw WBDD

(Escherichia
coli) 		PF00069
(Pkinase)
PF13847
(Methyltransf_31) 		4 GLY A 371
PHE A 281
ARG A 353
ASN A 356
 None
None
None
MG  A1452 ( 2.7A)
 1.10A 5n5dB-4azwA:
13.6		 5n5dB-4azwA:
19.07
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		4 GLY I 460
GLU I 426
ASP I 469
ASN I 473
 None
 0.99A 5n5dB-4c1nI:
undetectable		 5n5dB-4c1nI:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 GLY A 534
GLU A 474
ASP A 536
ASN A 347
 None
 1.11A 5n5dB-4c22A:
2.8		 5n5dB-4c22A:
17.32
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 GLY A  96
PHE A  92
SER A  90
ARG A 205
 None
 0.94A 5n5dB-4c2tA:
undetectable		 5n5dB-4c2tA:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 GLY A  96
PHE A  92
SER A  90
ARG A 205
 None
 0.93A 5n5dB-4c30A:
3.4		 5n5dB-4c30A:
16.90
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 GLY A 394
GLU A 648
ASP A 373
ASN A 675
 None
 1.02A 5n5dB-4cakA:
undetectable		 5n5dB-4cakA:
12.72
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.
4dpg LYSINE--TRNA LIGASE

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 GLY A 326
GLU A 325
ASP A 328
ASN A 332
 None
APC  A 602 ( 4.7A)
None
None
 1.02A 5n5dB-4dpgA:
undetectable		 5n5dB-4dpgA:
18.70
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.
4fk1 PUTATIVE THIOREDOXIN
REDUCTASE

(Bacillus
anthracis) 		PF07992
(Pyr_redox_2) 		4 GLY C 111
PHE C 231
GLU C 269
ASN C  37
 FAD  C 500 (-3.5A)
None
FAD  C 500 (-3.2A)
FAD  C 500 (-4.6A)
 1.10A 5n5dB-4fk1C:
3.6		 5n5dB-4fk1C:
20.50
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.
4jbu VIRULENCE-ASSOCIATED
V ANTIGEN

(Yersinia pestis) 		PF04792
(LcrV) 		4 PHE A 104
SER A 108
ARG A 150
ASP A 141
 None
 1.05A 5n5dB-4jbuA:
undetectable		 5n5dB-4jbuA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLY A 435
PHE A 431
SER A 177
ARG A 275
 None
None
2JG  A 176 ( 4.0A)
None
 0.80A 5n5dB-4na3A:
undetectable		 5n5dB-4na3A:
16.86
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.
4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE

(Magnetospirillum
magneticum) 		PF00378
(ECH_1) 		4 GLY A  42
PHE A  39
GLU A  43
ASN A  49
 None
 1.10A 5n5dB-4nekA:
undetectable		 5n5dB-4nekA:
27.70
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 GLY A6514
PHE A6510
SER A6275
ARG A6373
 None
 1.02A 5n5dB-4opfA:
undetectable		 5n5dB-4opfA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p4o DNA POLYMERASE BETA

(Leishmania
infantum) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		4 GLY A 193
PHE A 191
SER A 158
ASN A 150
 D3T  A 401 (-3.7A)
None
None
None
 0.80A 5n5dB-4p4oA:
undetectable		 5n5dB-4p4oA:
21.75
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.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		4 GLY A 109
SER A 115
GLU A 133
ASP A 184
 2F6  A 301 (-3.6A)
None
2F6  A 301 (-2.7A)
None
 0.70A 5n5dB-4p58A:
21.9		 5n5dB-4p58A:
28.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  64
SER A  70
GLU A  88
ASP A 136
ASN A 138
 SAM  A 301 (-3.4A)
SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
SAM  A 301 (-3.4A)
 0.21A 5n5dB-4pclA:
29.3		 5n5dB-4pclA:
31.12
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.
4qlo HOMOSERINE
O-ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00561
(Abhydrolase_1) 		4 GLY A 263
PHE A 288
ASP A 272
ASN A 293
 None
 1.04A 5n5dB-4qloA:
2.7		 5n5dB-4qloA:
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.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLY A2965
PHE A2961
SER A2712
ARG A2810
 None
 0.86A 5n5dB-4qyrA:
undetectable		 5n5dB-4qyrA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1d UNCHARACTERIZED
PROTEIN
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		no annotation
no annotation 		4 GLY B  59
PHE B 196
ARG A  63
ASN B  57
 None
 0.92A 5n5dB-4r1dB:
undetectable		 5n5dB-4r1dB:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		5 GLY A  73
SER A  79
GLU A  98
ASP A 144
ASN A 146
 SAM  A1001 (-3.3A)
SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
SAM  A1001 ( 3.5A)
 0.21A 5n5dB-4ymgA:
25.5		 5n5dB-4ymgA:
30.36
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.
4yo0 LIGHT CHAIN OF
ANTIGEN BINDING
FRAGMENT, FAB

(Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLY B  84
PHE B  82
ARG B  70
ASN B  54
 None
 0.94A 5n5dB-4yo0B:
undetectable		 5n5dB-4yo0B:
20.16
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		4 GLY A 178
PHE A 207
SER A 175
ARG A 191
 None
 1.03A 5n5dB-4yycA:
undetectable		 5n5dB-4yycA:
21.75
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.
4zaj ARGININE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 PHE A  38
SER A  33
GLU A  83
ASP A  40
 None
 1.04A 5n5dB-4zajA:
undetectable		 5n5dB-4zajA:
15.15
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.
4zgz ANTIZYME INHIBITOR 1
ORNITHINE
DECARBOXYLASE
ANTIZYME 1

(Homo sapiens;
Homo sapiens) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
PF02100
(ODC_AZ) 		4 SER B 191
GLU A  94
ASP A 387
ASN A  71
 None
 1.10A 5n5dB-4zgzB:
2.0		 5n5dB-4zgzB:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4znj PHAGE TERMINASE
LARGE SUBUNIT

(Thermus virus
P74-26) 		PF03237
(Terminase_6) 		4 GLY A 201
PHE A 252
SER A 205
ARG A 236
 None
 0.96A 5n5dB-4znjA:
4.8		 5n5dB-4znjA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zrx F5/8 TYPE C DOMAIN
PROTEIN

(Bacteroides
ovatus) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		4 GLY A 443
SER A 472
ARG A 254
ASN A 259
 None
 1.09A 5n5dB-4zrxA:
undetectable		 5n5dB-4zrxA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cqe MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		4 GLY A  58
PHE A  62
ARG A  78
ASN A  85
 None
 1.07A 5n5dB-5cqeA:
undetectable		 5n5dB-5cqeA:
24.38
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		4 GLY A 191
PHE A 205
SER A 164
ASN A 200
 None
 0.83A 5n5dB-5eefA:
4.4		 5n5dB-5eefA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 GLY A1926
SER A1906
ARG A2227
ASP A1866
 None
 1.07A 5n5dB-5i6gA:
undetectable		 5n5dB-5i6gA:
11.36
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 GLY A1926
SER A1906
ARG A2227
ASP A1866
 None
 1.09A 5n5dB-5i6hA:
undetectable		 5n5dB-5i6hA:
9.62
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 GLY A1926
SER A1906
ARG A2227
ASP A1866
 None
 0.99A 5n5dB-5i6iA:
undetectable		 5n5dB-5i6iA:
6.87
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.
5jvb PHOSPHONATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHONATE-BINDING
PROTEIN

(Trichodesmium
erythraeum) 		no annotation 4 GLY A 158
PHE A 156
SER A 133
ASP A 127
 None
None
2PO  A 301 ( 4.4A)
None
 1.00A 5n5dB-5jvbA:
2.4		 5n5dB-5jvbA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8d COAGULATION FACTOR
VIII
COAGULATION FACTOR
VIII,IG GAMMA-1
CHAIN C REGION

(Homo sapiens;
Homo sapiens) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		4 GLY A 655
SER A 710
GLU B1793
ASN B1805
 None
 1.02A 5n5dB-5k8dA:
undetectable		 5n5dB-5k8dA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l09 QUORUM-SENSING
TRANSCRIPTIONAL
ACTIVATOR

(Yersinia
enterocolitica) 		PF03472
(Autoind_bind) 		4 GLY A  27
PHE A 136
ARG A  22
ASP A  28
 None
None
EDO  A 203 (-3.9A)
None
 1.11A 5n5dB-5l09A:
undetectable		 5n5dB-5l09A:
16.52
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.
5lc8 ARACHIDONATE
15-LIPOXYGENASE

(Pseudomonas
aeruginosa) 		PF00305
(Lipoxygenase) 		4 GLY A 429
ARG A 422
ASP A 432
ASN A  85
 None
None
GOL  A 702 (-2.9A)
None
 1.10A 5n5dB-5lc8A:
undetectable		 5n5dB-5lc8A:
15.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		4 GLY A  67
PHE A  69
SER A  73
ASP A 142
 SAH  A1001 (-3.5A)
None
SAH  A1001 (-2.7A)
MG  A1002 (-2.5A)
 0.29A 5n5dB-5logA:
29.3		 5n5dB-5logA:
34.55
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.
5lv1 PTXB

(Prochlorococcus
marinus) 		no annotation 4 GLY A 158
PHE A 156
SER A 133
ASP A 127
 None
None
78T  A 301 ( 4.6A)
None
 1.00A 5n5dB-5lv1A:
2.3		 5n5dB-5lv1A:
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.
5m86 TA1207

(Thermoplasma
acidophilum) 		no annotation 4 GLY A 235
PHE A 254
GLU A 236
ASN A 210
 None
 0.89A 5n5dB-5m86A:
undetectable		 5n5dB-5m86A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5msx PUTATIVE
ENDO-1,4-BETA-XYLANA
SE

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF04616
(Glyco_hydro_43) 		4 GLY A 258
SER A 248
GLU A 279
ARG A 283
 None
 1.10A 5n5dB-5msxA:
undetectable		 5n5dB-5msxA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		7 GLY A  65
PHE A  67
SER A  71
GLU A  89
ARG A 117
ASP A 139
ASN A 141
 SAM  A 306 (-3.2A)
SAM  A 306 (-4.2A)
SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
None
SAM  A 306 (-2.3A)
SAM  A 306 ( 2.9A)
 0.38A 5n5dB-5n5dA:
40.6		 5n5dB-5n5dA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		6 GLY A  65
PHE A  67
SER A  72
GLU A  89
ARG A 117
ASN A 141
 SAM  A 306 (-3.2A)
SAM  A 306 (-4.2A)
None
SAM  A 306 (-2.4A)
None
SAM  A 306 ( 2.9A)
 1.12A 5n5dB-5n5dA:
40.6		 5n5dB-5n5dA:
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.
5o2j PROBABLE PHOSPHITE
TRANSPORT
SYSTEM-BINDING
PROTEIN PTXB

(Pseudomonas
stutzeri) 		no annotation 4 GLY A 153
PHE A 151
SER A 127
ASP A 121
 None
None
2PO  A 301 ( 4.7A)
None
 1.11A 5n5dB-5o2jA:
2.6		 5n5dB-5o2jA:
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.
5vu2 E1 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		no annotation 4 GLY M 201
PHE M 240
ARG M 206
ASP M 202
 None
 0.90A 5n5dB-5vu2M:
undetectable		 5n5dB-5vu2M:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		4 GLY A  66
SER A  72
ARG A 119
ASP A 138
 SAM  A 301 (-3.5A)
SAM  A 301 (-2.8A)
SAM  A 301 (-4.6A)
SAM  A 301 (-3.6A)
 0.79A 5n5dB-5x7fA:
26.8		 5n5dB-5x7fA:
34.78
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.
5xcv VL-SARAH(S37C)
CHIMERA,VL-SARAH(S37
C) CHIMERA

(Homo sapiens;
Rattus) 		no annotation 4 GLY B  64
PHE B  62
ARG B  50
ASN B  34
 None
 0.92A 5n5dB-5xcvB:
undetectable		 5n5dB-5xcvB:
18.61
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 4 SER A 265
GLU A 297
ARG A 224
ASP A 236
 None
A  B  12 ( 2.6A)
A  B  19 ( 3.2A)
U  B  16 ( 3.8A)
 0.92A 5n5dB-5xwyA:
undetectable		 5n5dB-5xwyA:
10.23
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 4 GLY A  62
SER A  68
GLU A  85
ASP A 133
 SAM  A 302 (-3.4A)
SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.19A 5n5dB-5zw4A:
24.5		 5n5dB-5zw4A:
28.93
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.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 4 GLY A 172
SER A 378
ARG A 147
ASP A 289
 None
 1.10A 5n5dB-6cr0A:
undetectable		 5n5dB-6cr0A:
19.51
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.
6fdf TRNA
(CYTOSINE(38)-C(5))-
METHYLTRANSFERASE

(Schizosaccharomyces
pombe) 		no annotation 4 GLY A  17
SER A 311
GLU A  11
ASN A  24
 SAH  A 401 ( 4.7A)
SAH  A 401 (-2.8A)
None
None
 1.07A 5n5dB-6fdfA:
8.7		 5n5dB-6fdfA:
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE] 1
SUBUNIT C1,
MITOCHONDRIAL

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 GLY O  64
PHE c   2
ASP O  65
ASN O 309
 None
 1.11A 5n5dB-6g2jO:
undetectable		 5n5dB-6g2jO:
undetectable