SIMILAR PATTERNS OF AMINO ACIDS FOR 3MB5_A_SAMA301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 VAL A 221
GLY A 156
LEU A 154
ILE A 159
LEU A 216
 None
 1.03A 3mb5A-1bucA:
undetectable		 3mb5A-1bucA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A 191
GLY A 121
ALA A 123
ILE A 218
PRO A 364
 None
FAD  A 510 (-4.1A)
None
FAD  A 510 ( 4.6A)
AND  A 508 ( 4.6A)
 0.96A 3mb5A-1coyA:
3.2		 3mb5A-1coyA:
18.79
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ILE A 310
VAL A 309
GLY A 533
ALA A 531
ILE A 550
 None
None
FAD  A 600 (-3.5A)
None
FAD  A 600 (-4.3A)
 0.85A 3mb5A-1d4eA:
3.1		 3mb5A-1d4eA:
18.24
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.
1dkp PHYTASE

(Escherichia
coli) 		PF00328
(His_Phos_2) 		5 ILE A  13
VAL A  14
LEU A 333
ARG A 337
ILE A 399
 None
 0.94A 3mb5A-1dkpA:
undetectable		 3mb5A-1dkpA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eke RIBONUCLEASE HII

(Methanocaldococcus
jannaschii) 		PF01351
(RNase_HII) 		5 ILE A  72
GLY A  16
ILE A 180
ILE A 176
PRO A 205
 None
 0.96A 3mb5A-1ekeA:
undetectable		 3mb5A-1ekeA:
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.
1ept PORCINE E-TRYPSIN
PORCINE E-TRYPSIN
PORCINE E-TRYPSIN

(Sus scrofa;
Sus scrofa;
Sus scrofa) 		PF00089
(Trypsin)
PF00089
(Trypsin)
PF00089
(Trypsin) 		5 ILE C 212
VAL C 213
GLY A  44
ALA A  55
ILE B  73
 None
 0.97A 3mb5A-1eptC:
undetectable		 3mb5A-1eptC:
15.08
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.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 ILE E 212
VAL E 213
GLY E  44
ALA E  55
ILE E  73
 None
 1.01A 3mb5A-1h9hE:
undetectable		 3mb5A-1h9hE:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		5 ALA A 162
LEU A 160
ILE A 348
ARG A 344
LEU A 151
 None
None
None
GLC  A 671 (-4.4A)
None
 0.99A 3mb5A-1hsjA:
undetectable		 3mb5A-1hsjA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i9g HYPOTHETICAL PROTEIN
RV2118C

(Mycobacterium
tuberculosis) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 109
SER A 110
ALA A 112
LEU A 113
ARG A 133
 SAM  A 301 (-3.4A)
SAM  A 301 (-4.4A)
SAM  A 301 (-3.3A)
SAM  A 301 (-4.5A)
None
 0.29A 3mb5A-1i9gA:
29.8		 3mb5A-1i9gA:
35.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 ILE A  17
VAL A  16
GLY A 284
ALA A 327
LEU A 326
 None
 1.04A 3mb5A-1ituA:
undetectable		 3mb5A-1ituA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 ILE T 212
VAL T 213
GLY T  44
ALA T  55
ILE T  73
 None
ZEN  T   1 (-4.1A)
None
None
None
 0.97A 3mb5A-1j17T:
undetectable		 3mb5A-1j17T:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		5 ILE A 166
VAL A 143
ILE A  27
LEU A  40
PRO A  41
 None
 0.86A 3mb5A-1j31A:
undetectable		 3mb5A-1j31A:
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.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		5 ILE A 166
VAL A 143
ILE A 230
ILE A  27
LEU A  40
 None
 1.04A 3mb5A-1j31A:
undetectable		 3mb5A-1j31A:
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.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 344
VAL A 343
GLY A 427
LEU A 424
PRO A 322
 None
 0.93A 3mb5A-1j6uA:
5.9		 3mb5A-1j6uA:
18.83
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		6 ILE A 634
SER A 635
ALA A 655
ILE A 323
TYR A  63
LEU A 321
 None
 1.42A 3mb5A-1lf9A:
undetectable		 3mb5A-1lf9A:
16.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nze OXYGEN-EVOLVING
ENHANCER PROTEIN 3

(Spinacia
oleracea) 		PF05757
(PsbQ) 		5 VAL A  62
SER A  73
LEU A  78
ILE A 124
PRO A 127
 None
 0.89A 3mb5A-1nzeA:
undetectable		 3mb5A-1nzeA:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		6 ILE A  83
VAL A  84
GLY A 110
ALA A 113
ILE A 161
PRO A 178
 CL  A 266 ( 4.7A)
CL  A 266 (-4.4A)
None
CL  A 266 (-3.6A)
None
None
 0.53A 3mb5A-1o54A:
29.5		 3mb5A-1o54A:
36.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		6 ILE A  83
VAL A  84
GLY A 110
ALA A 113
ILE A 161
TYR A 183
 CL  A 266 ( 4.7A)
CL  A 266 (-4.4A)
None
CL  A 266 (-3.6A)
None
None
 1.18A 3mb5A-1o54A:
29.5		 3mb5A-1o54A:
36.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		6 ILE A  83
VAL A  84
GLY A 110
SER A 111
ILE A 161
PRO A 178
 CL  A 266 ( 4.7A)
CL  A 266 (-4.4A)
None
CL  A 266 ( 4.4A)
None
None
 0.87A 3mb5A-1o54A:
29.5		 3mb5A-1o54A:
36.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		6 ILE A  83
VAL A  84
GLY A 110
SER A 111
ILE A 161
TYR A 183
 CL  A 266 ( 4.7A)
CL  A 266 (-4.4A)
None
CL  A 266 ( 4.4A)
None
None
 1.45A 3mb5A-1o54A:
29.5		 3mb5A-1o54A:
36.20
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.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		5 ILE A 162
VAL A 163
ALA A 137
LEU A 138
PRO A 167
 None
 0.98A 3mb5A-1rk2A:
4.1		 3mb5A-1rk2A:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sy6 T-CELL SURFACE
GLYCOPROTEIN CD3
GAMMA/EPSILON CHAIN
OKT3 FAB HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF16680
(Ig_4)
PF16681
(Ig_5)
PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H  24
ARG A 186
ILE H  48
TYR H  60
LEU H  70
 None
 0.96A 3mb5A-1sy6H:
undetectable		 3mb5A-1sy6H:
19.12
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.
1t0i YLR011WP

(Saccharomyces
cerevisiae) 		PF03358
(FMN_red) 		5 ILE A  88
VAL A  89
ALA A 119
LEU A 120
PRO A  93
 None
None
None
None
FMN  A 200 (-4.2A)
 1.02A 3mb5A-1t0iA:
2.4		 3mb5A-1t0iA:
23.55
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.
1ufo HYPOTHETICAL PROTEIN
TT1662

(Thermus
thermophilus) 		no annotation 6 VAL A 132
GLY A 115
ALA A 110
LEU A 109
LEU A 121
PRO A 163
 None
 1.29A 3mb5A-1ufoA:
3.1		 3mb5A-1ufoA:
24.83
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.
1vh0 HYPOTHETICAL UPF0247
PROTEIN
SAV0024/SA0023

(Staphylococcus
aureus) 		PF02590
(SPOUT_MTase) 		5 ILE A 107
VAL A 106
GLY A 109
ALA A   7
ILE A  52
 None
 1.01A 3mb5A-1vh0A:
undetectable		 3mb5A-1vh0A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 ILE A  43
VAL A  44
GLY A  41
ALA A  26
ILE A 135
 None
EDO  A 205 ( 4.7A)
None
None
None
 1.02A 3mb5A-1vraA:
undetectable		 3mb5A-1vraA:
22.69
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.
1xat XENOBIOTIC
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep) 		5 VAL A 153
GLY A 120
SER A 139
ALA A 141
ILE A  59
 None
 0.98A 3mb5A-1xatA:
undetectable		 3mb5A-1xatA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xc3 PUTATIVE
FRUCTOKINASE

(Bacillus
subtilis) 		PF00480
(ROK) 		5 ILE A 137
VAL A 138
GLY A 135
LEU A 143
ILE A 154
 None
 1.05A 3mb5A-1xc3A:
undetectable		 3mb5A-1xc3A:
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.
2ahr PUTATIVE PYRROLINE
CARBOXYLATE
REDUCTASE

(Streptococcus
pyogenes) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 GLY A  30
SER A  31
LEU A  33
ILE A   5
ILE A  27
 NAP  A1500 (-4.2A)
NAP  A1500 (-2.7A)
None
None
None
 0.89A 3mb5A-2ahrA:
3.6		 3mb5A-2ahrA:
21.72
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.
2dkd PHOSPHOACETYLGLUCOSA
MINE MUTASE

(Candida
albicans) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		5 ILE A 471
VAL A 472
ALA A 519
ILE A 497
LEU A 542
 None
 0.90A 3mb5A-2dkdA:
undetectable		 3mb5A-2dkdA:
17.52
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.
2dwc 433AA LONG
HYPOTHETICAL
PHOSPHORIBOSYLGLYCIN
AMIDE FORMYL
TRANSFERASE

(Pyrococcus
horikoshii) 		PF02222
(ATP-grasp) 		5 VAL A  59
GLY A  28
SER A  27
ARG A 385
ILE A 389
 None
None
None
SO4  A 604 (-3.9A)
None
 1.04A 3mb5A-2dwcA:
3.9		 3mb5A-2dwcA:
19.86
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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 VAL A 202
GLY A 104
SER A 103
LEU A  94
ILE A  72
 None
 1.04A 3mb5A-2ewnA:
undetectable		 3mb5A-2ewnA:
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.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		5 ILE A 208
VAL A 207
GLY A 201
ALA A 205
ILE A  83
 None
 1.00A 3mb5A-2ha9A:
undetectable		 3mb5A-2ha9A:
22.92
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A 127
VAL A  75
ALA A  73
ARG A 176
ILE A 179
 None
 1.04A 3mb5A-2hpiA:
undetectable		 3mb5A-2hpiA:
12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iep MUSCLE-SPECIFIC
KINASE RECEPTOR

(Rattus
norvegicus) 		PF07679
(I-set) 		5 VAL A  37
ALA A 114
LEU A 115
ILE A  59
ILE A  77
 None
 1.00A 3mb5A-2iepA:
undetectable		 3mb5A-2iepA:
22.18
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.
2ify 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Bacillus
anthracis) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ILE A  73
VAL A  51
GLY A  71
LEU A 483
ILE A 395
 None
 0.87A 3mb5A-2ifyA:
5.2		 3mb5A-2ifyA:
19.81
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.
2pof CDP-DIACYLGLYCEROL
PYROPHOSPHATASE

(Escherichia
coli) 		PF02611
(CDH) 		5 GLY A 208
SER A 209
ALA A 237
ILE A  84
LEU A  92
 None
 1.03A 3mb5A-2pofA:
undetectable		 3mb5A-2pofA:
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.
2q7s N-FORMYLGLUTAMATE
AMIDOHYDROLASE

(Cupriavidus
pinatubonensis) 		PF05013
(FGase) 		5 VAL A  57
ALA A  59
LEU A  60
ILE A 281
LEU A 168
 None
 1.04A 3mb5A-2q7sA:
undetectable		 3mb5A-2q7sA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qm6 GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Helicobacter
pylori) 		PF01019
(G_glu_transpept) 		5 ILE B 457
VAL B 458
GLY B 469
LEU B 466
LEU B 481
 None
 1.04A 3mb5A-2qm6B:
undetectable		 3mb5A-2qm6B:
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.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis) 		PF01256
(Carb_kinase) 		5 ILE A  59
VAL A  58
GLY A  33
LEU A  30
PRO A  67
 None
 0.97A 3mb5A-2r3bA:
4.6		 3mb5A-2r3bA:
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.
2w1p AQUAPORIN PIP2-7
7


(Komagataella
pastoris) 		PF00230
(MIP) 		5 ILE A 204
GLY A  93
ILE A  88
ILE A  86
LEU A 213
 None
 0.98A 3mb5A-2w1pA:
undetectable		 3mb5A-2w1pA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wl1 PYRIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 ILE A 601
GLY A 644
SER A 645
ARG A 676
ILE A 666
 None
 0.98A 3mb5A-2wl1A:
undetectable		 3mb5A-2wl1A:
22.44
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.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Methanothermobacter
thermautotrophicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		6 ILE A  60
VAL A  53
ALA A 153
LEU A 156
ILE A 121
LEU A 163
 None
 1.21A 3mb5A-2wnrA:
undetectable		 3mb5A-2wnrA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzl PHOSPHOPROTEIN

(Mokola
lyssavirus) 		PF03012
(PP_M1) 		5 SER A 294
ALA A 297
LEU A 299
ARG A 261
LEU A 258
 None
 1.03A 3mb5A-2wzlA:
undetectable		 3mb5A-2wzlA:
22.33
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		6 VAL A 226
GLY A 220
ARG A 323
ILE A 358
TYR A 355
LEU A 193
 None
SF4  A 502 (-3.5A)
None
None
None
None
 1.44A 3mb5A-2xsjA:
undetectable		 3mb5A-2xsjA:
19.59
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.
2xz3 MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
ENVELOPE
GLYCOPROTEIN

(Escherichia
coli;
Bovine leukemia
virus) 		PF00429
(TLV_coat)
PF13416
(SBP_bac_8) 		5 ALA A 188
LEU A 186
ILE A 374
ARG A 370
LEU A 177
 EDO  A1490 ( 3.7A)
None
None
MAL  A1488 (-4.3A)
None
 0.99A 3mb5A-2xz3A:
undetectable		 3mb5A-2xz3A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yvl HYPOTHETICAL PROTEIN

(Aquifex
aeolicus) 		PF08704
(GCD14) 		6 ILE A  74
GLY A 101
SER A 102
ALA A 104
LEU A 105
TYR A 172
 SAM  A 601 ( 4.6A)
SAM  A 601 (-3.5A)
SAM  A 601 (-4.6A)
SAM  A 601 (-3.2A)
SAM  A 601 (-4.6A)
SAM  A 601 (-4.0A)
 0.74A 3mb5A-2yvlA:
23.7		 3mb5A-2yvlA:
28.09
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.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		5 ILE A 130
GLY A 166
ALA A 168
LEU A 169
ILE A 183
 None
 1.00A 3mb5A-2zleA:
undetectable		 3mb5A-2zleA:
22.54
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.
2zp2 KINASE A INHIBITOR

(Bacillus
subtilis) 		PF02682
(CT_C_D) 		5 ILE A 172
GLY A 178
ILE A 160
ILE A 131
LEU A 116
 None
 0.79A 3mb5A-2zp2A:
undetectable		 3mb5A-2zp2A:
19.38
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.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40

(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct) 		PF06747
(CHCH)
PF13416
(SBP_bac_8) 		5 ALA A 162
LEU A 160
ILE A 348
ARG A 344
LEU A 151
 None
 1.05A 3mb5A-3a3cA:
undetectable		 3mb5A-3a3cA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ILE A 399
ALA A 404
LEU A 401
ILE A 307
LEU A 336
 None
 1.05A 3mb5A-3aoeA:
undetectable		 3mb5A-3aoeA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ayh DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC8

(Schizosaccharomyces
pombe) 		PF03876
(SHS2_Rpb7-N)
PF08292
(RNA_pol_Rbc25) 		5 ILE B  39
VAL B  38
ALA B  45
LEU B  44
ILE B 154
 None
 0.99A 3mb5A-3ayhB:
undetectable		 3mb5A-3ayhB:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ba3 PYRIDOXAMINE
5'-PHOSPHATE
OXIDASE-LIKE PROTEIN

(Lactobacillus
plantarum) 		no annotation 5 ILE A  30
VAL A  31
ALA A  17
LEU A  18
PRO A  52
 None
 0.87A 3mb5A-3ba3A:
undetectable		 3mb5A-3ba3A:
21.03
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.
3bc1 RAS-RELATED PROTEIN
RAB-27A

(Mus musculus) 		PF00071
(Ras) 		6 GLY A  94
ALA A  14
ARG A 184
ILE A  68
TYR A  53
LEU A 178
 None
 1.34A 3mb5A-3bc1A:
undetectable		 3mb5A-3bc1A:
20.37
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.
3bc1 RAS-RELATED PROTEIN
RAB-27A

(Mus musculus) 		PF00071
(Ras) 		5 ILE A 128
VAL A 129
GLY A  94
LEU A  96
LEU A 178
 None
 0.88A 3mb5A-3bc1A:
undetectable		 3mb5A-3bc1A:
20.37
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.
3cpg UNCHARACTERIZED
PROTEIN

(Bifidobacterium
adolescentis) 		PF01168
(Ala_racemase_N) 		5 ALA A  91
LEU A  90
ILE A 138
ILE A 120
PRO A  80
 None
 0.80A 3mb5A-3cpgA:
undetectable		 3mb5A-3cpgA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e82 PUTATIVE
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A  81
VAL A  80
GLY A  22
SER A  83
ARG A  49
 None
 1.00A 3mb5A-3e82A:
6.5		 3mb5A-3e82A:
20.44
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.
3edm SHORT CHAIN
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 VAL A  71
SER A  76
ALA A  74
ILE A 178
LEU A 128
 None
 1.01A 3mb5A-3edmA:
8.8		 3mb5A-3edmA:
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.
3eo7 PUTATIVE
NITROREDUCTASE

(Trichormus
variabilis) 		PF00881
(Nitroreductase) 		5 ILE A 471
LEU A 475
ILE A 383
TYR A 398
LEU A 353
 None
 1.05A 3mb5A-3eo7A:
undetectable		 3mb5A-3eo7A:
17.64
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		5 GLY A 119
SER A 120
LEU A 117
ILE A 102
LEU A 290
 PLP  A 458 (-3.1A)
PLP  A 458 (-2.7A)
None
None
None
 0.99A 3mb5A-3fcrA:
undetectable		 3mb5A-3fcrA:
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.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		5 GLY A 120
SER A 121
LEU A 118
ILE A 103
LEU A 291
 PLP  A 460 (-3.2A)
LLP  A 289 (-2.7A)
None
None
None
 1.03A 3mb5A-3gjuA:
undetectable		 3mb5A-3gjuA:
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.
3gqj CELL INHIBITING
FACTOR (CIF)

(Photorhabdus
laumondii) 		PF16374
(CIF) 		5 ILE A 185
ALA A 172
LEU A 173
ILE A 290
ILE A  82
 None
 1.03A 3mb5A-3gqjA:
undetectable		 3mb5A-3gqjA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		5 GLY A 238
SER A 239
ALA A 287
ILE A 262
LEU A 271
 None
 0.94A 3mb5A-3gzaA:
undetectable		 3mb5A-3gzaA:
20.27
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.
3i9s INTEGRON CASSETTE
PROTEIN

(Vibrio cholerae) 		PF00583
(Acetyltransf_1) 		5 ILE A  56
VAL A  55
GLY A  66
ALA A  68
ILE A  21
 None
 1.03A 3mb5A-3i9sA:
undetectable		 3mb5A-3i9sA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ILE B 258
VAL B 259
LEU B 267
ILE B 146
TYR B 143
 None
 0.84A 3mb5A-3igzB:
4.8		 3mb5A-3igzB:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iuy PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX53

(Homo sapiens) 		PF00270
(DEAD) 		5 VAL A 355
GLY A 307
ARG A 407
ILE A 402
LEU A 376
 None
 1.03A 3mb5A-3iuyA:
3.6		 3mb5A-3iuyA:
20.90
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.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		5 SER A 246
ALA A 215
ILE A 101
ILE A 263
LEU A 113
 PLP  A 406 (-2.8A)
PLP  A 406 ( 3.7A)
None
None
None
 0.89A 3mb5A-3k7yA:
3.0		 3mb5A-3k7yA:
20.49
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.
3ki8 BETA
UREIDOPROPIONASE
(BETA-ALANINE
SYNTHASE)

(Pyrococcus
abyssi) 		PF00795
(CN_hydrolase) 		5 ILE A 166
VAL A 143
ILE A  27
LEU A  40
PRO A  41
 None
 0.80A 3mb5A-3ki8A:
undetectable		 3mb5A-3ki8A:
24.58
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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY A 504
LEU A 501
ILE A 510
ILE A 524
PRO A 547
 None
ANP  A 400 (-4.0A)
None
None
None
 1.04A 3mb5A-3kn5A:
undetectable		 3mb5A-3kn5A:
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.
3l2k EHPF

(Pantoea
agglomerans) 		PF00501
(AMP-binding) 		5 ILE A 292
SER A 264
ALA A 267
LEU A 268
ILE A 139
 None
 1.06A 3mb5A-3l2kA:
undetectable		 3mb5A-3l2kA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		6 ILE A  76
VAL A  77
ALA A 106
LEU A 107
ILE A 154
LEU A 168
 SAH  A 301 (-4.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.3A)
None
 1.44A 3mb5A-3lgaA:
37.9		 3mb5A-3lgaA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		12 ILE A  76
VAL A  77
GLY A 103
SER A 104
ALA A 106
LEU A 107
ILE A 126
ARG A 127
ILE A 154
TYR A 155
LEU A 170
PRO A 171
 SAH  A 301 (-4.3A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.4A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.3A)
SAH  A 301 (-4.1A)
None
SAH  A 301 (-4.3A)
SAH  A 301 (-3.2A)
SAH  A 301 (-4.2A)
SAH  A 301 (-4.8A)
 0.58A 3mb5A-3lgaA:
37.9		 3mb5A-3lgaA:
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.
3mst PUTATIVE NITRATE
TRANSPORT PROTEIN

(Thermoplasma
volcanium) 		PF12916
(DUF3834) 		5 VAL A  57
GLY A 194
ILE A 189
ILE A 174
TYR A 181
 None
 0.99A 3mb5A-3mstA:
undetectable		 3mb5A-3mstA:
20.43
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		5 VAL A 415
GLY A 341
ILE A 357
ILE A 323
LEU A 338
 None
 1.05A 3mb5A-3mweA:
undetectable		 3mb5A-3mweA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o7q L-FUCOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ILE A  77
GLY A  97
ALA A 129
LEU A 131
ILE A 226
 None
 0.90A 3mb5A-3o7qA:
undetectable		 3mb5A-3o7qA:
20.18
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.
3oc4 OXIDOREDUCTASE,
PYRIDINE
NUCLEOTIDE-DISULFIDE
FAMILY

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 VAL A 305
GLY A  12
SER A  14
ALA A  18
TYR A 246
LEU A 107
 None
None
None
None
FAD  A 500 (-4.5A)
None
 1.22A 3mb5A-3oc4A:
4.4		 3mb5A-3oc4A:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 GLY A  48
ALA A  75
ILE A  60
ILE A 409
PRO A 424
 None
 1.02A 3mb5A-3oksA:
undetectable		 3mb5A-3oksA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfo PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF12850
(Metallophos_2) 		5 GLY A  44
ALA A 232
LEU A 231
ILE A  40
LEU A  19
 None
 1.00A 3mb5A-3qfoA:
undetectable		 3mb5A-3qfoA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rns CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Leptotrichia
buccalis) 		PF07883
(Cupin_2) 		5 VAL A  23
ALA A  42
LEU A  41
ARG A  14
LEU A  38
 None
 0.74A 3mb5A-3rnsA:
undetectable		 3mb5A-3rnsA:
23.44
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.
3sxf CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Toxoplasma
gondii) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 ILE A 327
GLY A 246
LEU A 323
ILE A 285
LEU A 240
 None
 1.00A 3mb5A-3sxfA:
undetectable		 3mb5A-3sxfA:
20.08
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.
3uuf LIP1, SECRETORY
LIPASE (FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		5 ILE A 168
VAL A 167
GLY A 173
ALA A  97
LEU A 179
 None
 0.96A 3mb5A-3uufA:
undetectable		 3mb5A-3uufA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		5 ILE A  11
VAL A  10
GLY A  13
ALA A 229
ILE A  48
 None
 0.99A 3mb5A-3v7iA:
undetectable		 3mb5A-3v7iA:
20.72
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 VAL A2641
GLY A2829
ALA A2834
LEU A2835
LEU A2879
 None
 0.99A 3mb5A-3vkgA:
undetectable		 3mb5A-3vkgA:
6.23
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.
3vs8 TYPE III POLYKETIDE
SYNTHASE

(Azotobacter
vinelandii) 		PF02797
(Chal_sti_synt_C) 		5 VAL A 307
GLY A 403
ALA A 401
ILE A 376
TYR A 380
 None
 1.04A 3mb5A-3vs8A:
undetectable		 3mb5A-3vs8A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwn PUTATIVE
ACETYLGLUTAMATE
KINASE-LIKE PROTEIN

(Thermus
thermophilus) 		PF00696
(AA_kinase) 		5 ILE A   2
VAL A   3
ALA A 186
LEU A 187
LEU A 181
 None
 0.90A 3mb5A-3wwnA:
4.3		 3mb5A-3wwnA:
24.24
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.
4a0w T-COMPLEX PROTEIN 1
SUBUNIT BETA

(Bos taurus) 		PF00118
(Cpn60_TCP1) 		5 VAL A 383
ALA A 385
LEU A 384
ILE A 360
LEU A 377
 None
 1.04A 3mb5A-4a0wA:
undetectable		 3mb5A-4a0wA:
20.28
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		5 ILE A 168
VAL A 169
GLY A 165
TYR A  67
PRO A  64
 None
 0.96A 3mb5A-4aeeA:
undetectable		 3mb5A-4aeeA:
16.50
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE C  55
VAL C  54
GLY C 118
ALA C 116
LEU C 115
 None
 0.98A 3mb5A-4b3iC:
undetectable		 3mb5A-4b3iC:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bwp PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN-3

(Drosophila
melanogaster) 		no annotation 5 GLY A 597
ALA A 602
LEU A 603
ARG A 645
ILE A 654
 None
 0.96A 3mb5A-4bwpA:
undetectable		 3mb5A-4bwpA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		5 ILE A 133
VAL A 134
ILE A 205
TYR A 204
LEU A 152
 None
 1.04A 3mb5A-4conA:
undetectable		 3mb5A-4conA:
18.17
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.
4d1d HYDANTOIN TRANSPORT
PROTEIN

(Microbacterium
liquefaciens) 		PF02133
(Transp_cyt_pur) 		5 ILE A 376
GLY A 371
ALA A 437
LEU A 438
ILE A  71
 None
 0.88A 3mb5A-4d1dA:
undetectable		 3mb5A-4d1dA:
19.05
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 GLY A 237
LEU A 345
ILE A 230
ILE A 213
PRO A 184
 None
 1.06A 3mb5A-4ddqA:
undetectable		 3mb5A-4ddqA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dia 2-PYRONE-4,6-DICARBA
XYLATE HYDROLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		5 GLY A  99
ALA A 101
ILE A  28
ILE A 244
LEU A 289
 None
 0.89A 3mb5A-4diaA:
undetectable		 3mb5A-4diaA:
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.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 ILE A 211
GLY A  75
SER A  76
ILE A 190
ILE A  71
 ILE  A 211 ( 0.7A)
GLY  A  75 ( 0.0A)
SER  A  76 ( 0.0A)
ILE  A 190 ( 0.7A)
ILE  A  71 ( 0.7A)
 1.05A 3mb5A-4g41A:
undetectable		 3mb5A-4g41A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4huj UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF03807
(F420_oxidored) 		6 GLY A  13
SER A  14
ALA A 135
LEU A 134
ILE A   7
PRO A  68
 None
 1.47A 3mb5A-4hujA:
4.2		 3mb5A-4hujA:
24.37
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.
4hyv PYRUVATE KINASE 1

(Trypanosoma
brucei) 		PF00224
(PK)
PF02887
(PK_C) 		5 ILE A  81
VAL A 206
LEU A  83
ILE A 259
ILE A 214
 None
 0.99A 3mb5A-4hyvA:
3.7		 3mb5A-4hyvA:
19.01
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.
4iiw LMO1499 PROTEIN

(Listeria
monocytogenes) 		PF02618
(YceG) 		5 ILE A  50
GLY A  53
SER A  54
ILE A 133
LEU A 118
 None
 0.95A 3mb5A-4iiwA:
undetectable		 3mb5A-4iiwA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ikm MALTOSE-BINDING
PERIPLASMIC PROTEIN,
CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 8

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 ALA A 163
LEU A 161
ILE A 349
ARG A 345
LEU A 152
 None
None
None
MAL  A 501 (-4.2A)
None
 1.03A 3mb5A-4ikmA:
undetectable		 3mb5A-4ikmA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 VAL A 134
GLY A 170
ALA A 168
ILE A 278
ARG A 230
 None
FMN  A 401 (-3.3A)
None
FMN  A 401 ( 4.9A)
None
 1.05A 3mb5A-4iqlA:
undetectable		 3mb5A-4iqlA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ILE A 394
ALA A 441
LEU A 438
ILE A 421
LEU A 432
 None
 0.98A 3mb5A-4ksiA:
undetectable		 3mb5A-4ksiA:
19.36