SIMILAR PATTERNS OF AMINO ACIDS FOR 5N5D_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.
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