SIMILAR PATTERNS OF AMINO ACIDS FOR 4ACB_B_DXCB1473

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.
1a5i PLASMINOGEN
ACTIVATOR

(Desmodus
rotundus) 		PF00089
(Trypsin) 		4 ILE A 212
GLY A 211
VAL A  52
GLN A  30
 None
 0.92A 4acbB-1a5iA:
undetectable
4acbC-1a5iA:
undetectable		 4acbB-1a5iA:
18.88
4acbC-1a5iA:
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.
1ako EXONUCLEASE III

(Escherichia
coli) 		PF03372
(Exo_endo_phos) 		4 ILE A 246
GLY A 245
PHE A 199
ARG A 184
 None
 0.90A 4acbB-1akoA:
undetectable
4acbC-1akoA:
undetectable		 4acbB-1akoA:
21.62
4acbC-1akoA:
21.62
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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		4 ASP A  87
ILE A  20
GLY A  21
VAL A  29
 None
 0.74A 4acbB-1am5A:
undetectable
4acbC-1am5A:
undetectable		 4acbB-1am5A:
20.68
4acbC-1am5A:
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.
1apy ASPARTYLGLUCOSAMINID
ASE
ASPARTYLGLUCOSAMINID
ASE

(Homo sapiens;
Homo sapiens) 		PF01112
(Asparaginase_2)
PF01112
(Asparaginase_2) 		4 GLY A 117
PHE A 118
VAL A  79
SER B 200
 None
 0.91A 4acbB-1apyA:
undetectable
4acbC-1apyA:
undetectable		 4acbB-1apyA:
17.62
4acbC-1apyA:
17.62
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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		4 ASP A  87
ILE A  20
GLY A  21
VAL A  29
 None
 0.69A 4acbB-1b5fA:
undetectable
4acbC-1b5fA:
undetectable		 4acbB-1b5fA:
20.92
4acbC-1b5fA:
20.92
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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4
BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E;
Enterovirus E) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 ILE 2 209
GLY 2  77
PHE 2 152
ARG 1 252
 None
 0.92A 4acbB-1bev2:
undetectable
4acbC-1bev2:
undetectable		 4acbB-1bev2:
16.77
4acbC-1bev2:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cov COXSACKIEVIRUS COAT
PROTEIN

(Enterovirus B) 		PF00073
(Rhv) 		4 ILE 3 190
GLY 3  84
PHE 3  85
SER 3  51
 None
 0.85A 4acbB-1cov3:
undetectable
4acbC-1cov3:
undetectable		 4acbB-1cov3:
18.47
4acbC-1cov3:
18.47
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.
1crz TOLB PROTEIN

(Escherichia
coli) 		PF04052
(TolB_N)
PF07676
(PD40) 		5 ASP A  32
ILE A  33
GLY A  34
PHE A  21
GLN A  82
 None
 1.22A 4acbB-1crzA:
2.5
4acbC-1crzA:
2.6		 4acbB-1crzA:
21.41
4acbC-1crzA:
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.
1dlk THROMBIN HEAVY CHAIN

(Bos taurus) 		PF00089
(Trypsin) 		4 ILE B 212
GLY B 211
VAL B  52
GLN B  30
 None
 0.90A 4acbB-1dlkB:
2.2
4acbC-1dlkB:
2.8		 4acbB-1dlkB:
19.04
4acbC-1dlkB:
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.
1ff9 SACCHAROPINE
REDUCTASE

(Magnaporthe
grisea) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 ILE A 261
GLY A 262
PHE A 263
SER A 326
 None
 0.89A 4acbB-1ff9A:
5.9
4acbC-1ff9A:
5.9		 4acbB-1ff9A:
24.95
4acbC-1ff9A:
24.95
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.
1fk8 3ALPHA-HYDROXYSTEROI
D
DEHYDROGENASE/CARBON
YL REDUCTASE

(Comamonas
testosteroni) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 ILE A  13
GLY A  14
VAL A 225
SER A 231
ARG A 179
 NAD  A 800 (-4.1A)
None
None
None
None
 1.50A 4acbB-1fk8A:
3.9
4acbC-1fk8A:
5.7		 4acbB-1fk8A:
22.18
4acbC-1fk8A:
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.
1g33 PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		4 ILE A  66
GLY A  69
PHE A  70
SER A 109
 None
 0.85A 4acbB-1g33A:
undetectable
4acbC-1g33A:
undetectable		 4acbB-1g33A:
11.21
4acbC-1g33A:
11.21
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.
1gqo DEHYDROQUINASE

(Bacillus
subtilis) 		PF01220
(DHquinase_II) 		4 ASP A  58
ILE A  57
GLY A  54
SER A 113
 None
 0.84A 4acbB-1gqoA:
6.3
4acbC-1gqoA:
3.1		 4acbB-1gqoA:
15.53
4acbC-1gqoA:
15.53
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.
1gvz KALLIKREIN-1E2

(Equus caballus) 		PF00089
(Trypsin) 		4 ILE A 212
GLY A 211
VAL A  52
GLN A  30
 None
 0.90A 4acbB-1gvzA:
undetectable
4acbC-1gvzA:
undetectable		 4acbB-1gvzA:
16.12
4acbC-1gvzA:
16.12
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.
1h67 CALPONIN ALPHA

(Gallus gallus) 		PF00307
(CH) 		4 ASP A  48
ILE A  46
GLY A  53
GLN A 121
 None
 0.87A 4acbB-1h67A:
undetectable
4acbC-1h67A:
undetectable		 4acbB-1h67A:
12.61
4acbC-1h67A:
12.61
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.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		4 ILE E 212
GLY E 211
VAL E  52
GLN E  30
 None
 0.90A 4acbB-1h9hE:
undetectable
4acbC-1h9hE:
undetectable		 4acbB-1h9hE:
18.18
4acbC-1h9hE:
18.18
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.
1hsl HISTIDINE-BINDING
PROTEIN

(Escherichia
coli) 		PF00497
(SBP_bac_3) 		4 ASP A  32
ILE A  31
GLY A  28
ARG A  77
 None
None
None
HIS  A 239 (-3.0A)
 0.87A 4acbB-1hslA:
undetectable
4acbC-1hslA:
undetectable		 4acbB-1hslA:
19.03
4acbC-1hslA:
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.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		4 ASP B  87
ILE B  20
GLY B  21
VAL B  29
 None
 0.69A 4acbB-1htrB:
undetectable
4acbC-1htrB:
undetectable		 4acbB-1htrB:
21.00
4acbC-1htrB:
21.00
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ASP A 121
ILE A 156
GLY A 157
VAL A  34
GLN A  40
 None
 1.40A 4acbB-1i2dA:
5.0
4acbC-1i2dA:
3.6		 4acbB-1i2dA:
23.15
4acbC-1i2dA:
23.15
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ILE A 325
GLY A 324
VAL A 194
SER A 216
 None
 0.80A 4acbB-1i2dA:
5.0
4acbC-1i2dA:
3.6		 4acbB-1i2dA:
23.15
4acbC-1i2dA:
23.15
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.
1j31 HYPOTHETICAL PROTEIN
PH0642

(Pyrococcus
horikoshii) 		PF00795
(CN_hydrolase) 		4 ASP A 135
ILE A 136
GLY A 137
VAL A   4
 None
 0.68A 4acbB-1j31A:
undetectable
4acbC-1j31A:
undetectable		 4acbB-1j31A:
18.43
4acbC-1j31A:
18.43
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.
1jdp ATRIAL NATRIURETIC
PEPTIDE CLEARANCE
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 ASP A 362
ILE A 361
GLY A 365
GLN A 346
 None
 0.78A 4acbB-1jdpA:
5.9
4acbC-1jdpA:
6.0		 4acbB-1jdpA:
22.31
4acbC-1jdpA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jed SULFATE
ADENYLYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 ASP A 291
GLY A 294
VAL A 272
SER A  72
 None
 0.91A 4acbB-1jedA:
undetectable
4acbC-1jedA:
undetectable		 4acbB-1jedA:
22.34
4acbC-1jedA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqi SHORT CHAIN ACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 360
ILE A 209
GLY A 208
SER A 131
 None
None
None
FAD  A 399 (-2.9A)
 0.87A 4acbB-1jqiA:
undetectable
4acbC-1jqiA:
undetectable		 4acbB-1jqiA:
20.81
4acbC-1jqiA:
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ASP A2873
ILE A2872
GLY A2871
GLN A2634
 None
 0.73A 4acbB-1js8A:
undetectable
4acbC-1js8A:
undetectable		 4acbB-1js8A:
22.27
4acbC-1js8A:
22.27
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.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		4 ILE H 212
GLY H 211
VAL H  52
GLN H  30
 None
 0.90A 4acbB-1kigH:
undetectable
4acbC-1kigH:
undetectable		 4acbB-1kigH:
18.80
4acbC-1kigH:
18.80
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.
1l4z STREPTOKINASE

(Streptococcus
dysgalactiae) 		PF02821
(Staphylokinase) 		4 ILE B  33
GLY B  24
VAL B  91
GLN B  84
 None
 0.84A 4acbB-1l4zB:
undetectable
4acbC-1l4zB:
undetectable		 4acbB-1l4zB:
15.11
4acbC-1l4zB:
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.
1lc0 BILIVERDIN REDUCTASE
A

(Rattus
norvegicus) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		5 ASP A  68
ILE A  67
GLY A  10
VAL A  42
SER A  74
 None
 1.29A 4acbB-1lc0A:
7.9
4acbC-1lc0A:
4.9		 4acbB-1lc0A:
21.49
4acbC-1lc0A:
21.49
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.
1lyb CATHEPSIN D

(Homo sapiens) 		PF00026
(Asp) 		4 ASP A  90
ILE A  21
GLY A  22
VAL A  30
 None
 0.70A 4acbB-1lybA:
undetectable
4acbC-1lybA:
undetectable		 4acbB-1lybA:
10.94
4acbC-1lybA:
10.94
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.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		4 ILE A 429
GLY A 452
VAL A 396
SER A   4
 None
 0.79A 4acbB-1musA:
undetectable
4acbC-1musA:
undetectable		 4acbB-1musA:
21.76
4acbC-1musA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n9b BETA-LACTAMASE SHV-2

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		4 ILE A 282
GLY A 283
SER A 271
GLN A 277
 None
MA4  A 300 ( 3.9A)
None
None
 0.88A 4acbB-1n9bA:
undetectable
4acbC-1n9bA:
undetectable		 4acbB-1n9bA:
20.78
4acbC-1n9bA:
20.78
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.
1pnh SCORPION TOXIN

(Androctonus
mauritanicus) 		PF00451
(Toxin_2) 		4 ILE A  22
GLY A  23
VAL A  29
GLN A   9
 None
 0.82A 4acbB-1pnhA:
undetectable
4acbC-1pnhA:
undetectable		 4acbB-1pnhA:
4.99
4acbC-1pnhA:
4.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		4 ILE A 495
GLY A 496
PHE A 497
ARG A 609
 None
 0.84A 4acbB-1qb4A:
2.7
4acbC-1qb4A:
2.6		 4acbB-1qb4A:
20.00
4acbC-1qb4A:
20.00
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 ASP A  73
ILE A  74
VAL A  43
SER A  31
 None
 0.88A 4acbB-1qdlA:
undetectable
4acbC-1qdlA:
undetectable		 4acbB-1qdlA:
22.64
4acbC-1qdlA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdq CATHEPSIN B

(Bos taurus) 		PF00112
(Peptidase_C1) 		5 ASP A 238
ILE A 242
GLY A 241
VAL A 217
SER A 220
 None
 1.37A 4acbB-1qdqA:
undetectable
4acbC-1qdqA:
undetectable		 4acbB-1qdqA:
18.64
4acbC-1qdqA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		4 ASP E  87
ILE E  20
GLY E  21
VAL E  29
 None
 0.76A 4acbB-1qrpE:
undetectable
4acbC-1qrpE:
undetectable		 4acbB-1qrpE:
20.52
4acbC-1qrpE:
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.
1qxo CHORISMATE SYNTHASE

(Streptococcus
pneumoniae) 		PF01264
(Chorismate_synt) 		4 ILE A 304
GLY A 293
PHE A 294
VAL A 357
 None
 0.90A 4acbB-1qxoA:
undetectable
4acbC-1qxoA:
undetectable		 4acbB-1qxoA:
22.95
4acbC-1qxoA:
22.95
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ILE A 130
GLY A 131
VAL A 185
SER A 251
 None
 0.89A 4acbB-1rw9A:
undetectable
4acbC-1rw9A:
undetectable		 4acbB-1rw9A:
21.95
4acbC-1rw9A:
21.95
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.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		4 ASP A  87
ILE A  20
GLY A  21
VAL A  29
 None
 0.76A 4acbB-1smrA:
undetectable
4acbC-1smrA:
undetectable		 4acbB-1smrA:
22.88
4acbC-1smrA:
22.88
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.
1tdh NEI ENDONUCLEASE
VIII-LIKE 1

(Homo sapiens) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH)
PF09292
(Neil1-DNA_bind) 		4 ASP A 116
GLY A  83
PHE A  79
VAL A  14
 None
 0.90A 4acbB-1tdhA:
undetectable
4acbC-1tdhA:
undetectable		 4acbB-1tdhA:
21.17
4acbC-1tdhA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ton TONIN

(Rattus rattus) 		PF00089
(Trypsin) 		4 ILE A 212
GLY A 211
VAL A  52
GLN A  30
 None
 0.91A 4acbB-1tonA:
2.2
4acbC-1tonA:
2.2		 4acbB-1tonA:
17.34
4acbC-1tonA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		4 ASP A  98
ILE A  31
GLY A  32
VAL A  40
 None
 0.74A 4acbB-1tzsA:
undetectable
4acbC-1tzsA:
undetectable		 4acbB-1tzsA:
20.52
4acbC-1tzsA:
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		4 ILE A 345
GLY A 341
VAL A 306
SER A 458
 None
 0.92A 4acbB-1u2xA:
4.9
4acbC-1u2xA:
4.5		 4acbB-1u2xA:
24.86
4acbC-1u2xA:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u5t DEFECTIVE IN
VACUOLAR PROTEIN
SORTING
VPS36P

(Saccharomyces
cerevisiae) 		PF04157
(EAP30) 		4 ASP B 439
ILE B 531
GLY B 530
VAL B 495
 None
 0.89A 4acbB-1u5tB:
undetectable
4acbC-1u5tB:
undetectable		 4acbB-1u5tB:
17.90
4acbC-1u5tB:
17.90
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASP A 481
GLY A 484
VAL A 565
SER A 526
 None
 0.90A 4acbB-1xc6A:
2.9
4acbC-1xc6A:
2.9		 4acbB-1xc6A:
19.86
4acbC-1xc6A:
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.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		4 ASP A 114
GLY A 113
VAL A  37
SER A  16
 None
 0.89A 4acbB-1yifA:
undetectable
4acbC-1yifA:
undetectable		 4acbB-1yifA:
21.88
4acbC-1yifA:
21.88
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.
1yzp PEROXIDASE
MANGANESE-DEPENDENT
I

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ASP A 314
GLY A 311
PHE A 306
VAL A 259
GLN A 200
 None
 1.48A 4acbB-1yzpA:
undetectable
4acbC-1yzpA:
undetectable		 4acbB-1yzpA:
22.31
4acbC-1yzpA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ash QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Thermotoga
maritima) 		PF01702
(TGT) 		4 ILE A 202
GLY A 203
PHE A 204
SER A 126
 None
 0.90A 4acbB-2ashA:
2.5
4acbC-2ashA:
2.3		 4acbB-2ashA:
22.04
4acbC-2ashA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2axo HYPOTHETICAL PROTEIN
ATU2684

(Agrobacterium
fabrum) 		PF06764
(DUF1223) 		4 ASP A 130
ILE A 134
GLY A 133
VAL A  73
 None
 0.74A 4acbB-2axoA:
2.2
4acbC-2axoA:
2.3		 4acbB-2axoA:
19.96
4acbC-2axoA:
19.96
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.
2c11 MEMBRANE COPPER
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 ASP A 662
PHE A 660
VAL A 675
GLN A 366
 None
 0.87A 4acbB-2c11A:
undetectable
4acbC-2c11A:
undetectable		 4acbB-2c11A:
19.25
4acbC-2c11A:
19.25
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.
2c3z INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Sulfolobus
solfataricus) 		PF00218
(IGPS) 		4 ILE A 213
GLY A 212
VAL A 227
SER A 199
 None
SO4  A1000 (-4.4A)
None
None
 0.77A 4acbB-2c3zA:
2.3
4acbC-2c3zA:
2.3		 4acbB-2c3zA:
21.76
4acbC-2c3zA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cr3 BASIC FIBROBLAST
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF00047
(ig) 		4 ASP A  60
GLY A  18
VAL A  86
ARG A  24
 None
 0.67A 4acbB-2cr3A:
undetectable
4acbC-2cr3A:
undetectable		 4acbB-2cr3A:
12.17
4acbC-2cr3A:
12.17
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.
2e9y CARBAMATE KINASE

(Aeropyrum
pernix) 		PF00696
(AA_kinase) 		4 ILE A  16
GLY A  13
VAL A 190
SER A  49
 None
 0.87A 4acbB-2e9yA:
undetectable
4acbC-2e9yA:
2.1		 4acbB-2e9yA:
21.03
4acbC-2e9yA:
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.
2ekd HYPOTHETICAL PROTEIN
PH0250

(Pyrococcus
horikoshii) 		PF03192
(DUF257) 		4 ILE A  33
PHE A   6
VAL A  16
SER A 189
 None
 0.93A 4acbB-2ekdA:
undetectable
4acbC-2ekdA:
2.4		 4acbB-2ekdA:
20.00
4acbC-2ekdA:
20.00
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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		4 ASP A 100
ILE A  96
GLY A  95
VAL A  38
 None
 0.77A 4acbB-2g04A:
3.8
4acbC-2g04A:
undetectable		 4acbB-2g04A:
21.44
4acbC-2g04A:
21.44
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		4 ASP A  90
ILE A  21
GLY A  22
VAL A  30
 None
 0.78A 4acbB-2g1sA:
undetectable
4acbC-2g1sA:
undetectable		 4acbB-2g1sA:
20.57
4acbC-2g1sA:
20.57
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.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		4 ILE A 263
GLY A 264
VAL A 252
ARG A 152
 None
 0.88A 4acbB-2g85A:
undetectable
4acbC-2g85A:
undetectable		 4acbB-2g85A:
21.51
4acbC-2g85A:
21.51
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.
2gs5 CONSERVED
HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF02622
(DUF179) 		4 ILE A  79
GLY A  81
VAL A  58
GLN A  86
 None
 0.87A 4acbB-2gs5A:
undetectable
4acbC-2gs5A:
undetectable		 4acbB-2gs5A:
18.39
4acbC-2gs5A:
18.39
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.
2h29 PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Staphylococcus
aureus) 		PF01467
(CTP_transf_like) 		5 ASP A  71
ILE A  64
GLY A  70
PHE A  36
SER A 156
 None
 1.31A 4acbB-2h29A:
3.2
4acbC-2h29A:
2.9		 4acbB-2h29A:
18.26
4acbC-2h29A:
18.26
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.
2hb6 LEUCINE
AMINOPEPTIDASE 1

(Caenorhabditis
elegans) 		PF00883
(Peptidase_M17) 		5 ASP A 413
GLY A 412
PHE A 411
VAL A 328
SER A 324
 None
None
GOL  A2005 ( 4.6A)
None
None
 1.06A 4acbB-2hb6A:
undetectable
4acbC-2hb6A:
2.3		 4acbB-2hb6A:
23.65
4acbC-2hb6A:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hgn HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEIN F

(Homo sapiens) 		PF00076
(RRM_1)
PF08080
(zf-RNPHF) 		4 ASP A 304
ILE A 305
PHE A 308
VAL A 291
 None
 0.91A 4acbB-2hgnA:
undetectable
4acbC-2hgnA:
undetectable		 4acbB-2hgnA:
13.61
4acbC-2hgnA:
13.61
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.
2in2 PICORNAIN 3C

(Rhinovirus B) 		PF00548
(Peptidase_C3) 		5 ASP A  85
ILE A  86
GLY A  88
VAL A 149
SER A 170
 None
 1.35A 4acbB-2in2A:
undetectable
4acbC-2in2A:
2.1		 4acbB-2in2A:
22.01
4acbC-2in2A:
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.
2j5u MREC PROTEIN

(Listeria
monocytogenes) 		PF04085
(MreC) 		4 ILE A 258
GLY A 240
VAL A 245
GLN A 222
 None
 0.90A 4acbB-2j5uA:
3.4
4acbC-2j5uA:
2.6		 4acbB-2j5uA:
20.53
4acbC-2j5uA:
20.53
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.
2mop DISINTEGRIN
BITISTATIN

(Bitis arietans) 		PF00200
(Disintegrin) 		4 ILE 1   9
GLY 1  13
VAL 1   4
SER 1   1
 None
 0.91A 4acbB-2mop1:
undetectable
4acbC-2mop1:
undetectable		 4acbB-2mop1:
9.50
4acbC-2mop1:
9.50
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.
2nzo PROTEIN CSAA

(Bacillus
subtilis) 		PF01588
(tRNA_bind) 		4 ILE A  88
GLY A  90
SER A  47
GLN A  49
 None
 0.85A 4acbB-2nzoA:
2.3
4acbC-2nzoA:
2.4		 4acbB-2nzoA:
14.32
4acbC-2nzoA:
14.32
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.
2o8v PHOSPHOADENOSINE
PHOSPHOSULFATE
REDUCTASE

(Escherichia
coli) 		PF01507
(PAPS_reduct) 		4 ASP A 184
ILE A 183
SER A  53
GLN A  57
 None
 0.91A 4acbB-2o8vA:
2.5
4acbC-2o8vA:
2.8		 4acbB-2o8vA:
19.76
4acbC-2o8vA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ohf GTP-BINDING PROTEIN
9

(Homo sapiens) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ASP A 381
ILE A 382
GLY A 380
PHE A 309
SER A  82
 None
 1.41A 4acbB-2ohfA:
12.7
4acbC-2ohfA:
11.7		 4acbB-2ohfA:
23.06
4acbC-2ohfA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 142
ILE A 141
GLY A 140
VAL A  53
 None
 0.80A 4acbB-2ovlA:
3.5
4acbC-2ovlA:
2.6		 4acbB-2ovlA:
22.02
4acbC-2ovlA:
22.02
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		4 ASP A 142
GLY A  76
VAL A 125
SER A 119
 None
 0.84A 4acbB-2oxtA:
2.2
4acbC-2oxtA:
undetectable		 4acbB-2oxtA:
19.20
4acbC-2oxtA:
19.20
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.
2q07 UNCHARACTERIZED
PROTEIN AF0587

(Archaeoglobus
fulgidus) 		PF01472
(PUA) 		4 ILE A 464
GLY A 465
PHE A 467
VAL A 522
 None
 0.92A 4acbB-2q07A:
2.5
4acbC-2q07A:
2.6		 4acbB-2q07A:
20.74
4acbC-2q07A:
20.74
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.
2q0o PROBABLE
TRANSCRIPTIONAL
ACTIVATOR PROTEIN
TRAR
PROBABLE
TRANSCRIPTIONAL
REPRESSOR TRAM

(Sinorhizobium
fredii;
Sinorhizobium
fredii) 		PF00196
(GerE)
PF03472
(Autoind_bind)
PF09228
(Prok-TraM) 		4 ILE A 202
GLY A 201
SER A 188
GLN C  85
 None
 0.85A 4acbB-2q0oA:
undetectable
4acbC-2q0oA:
undetectable		 4acbB-2q0oA:
19.06
4acbC-2q0oA:
19.06
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		4 ASP A  97
ILE A  20
GLY A  21
VAL A  29
 None
 0.86A 4acbB-2qzwA:
undetectable
4acbC-2qzwA:
undetectable		 4acbB-2qzwA:
22.86
4acbC-2qzwA:
22.86
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		4 ASP A 187
ILE A 191
GLY A 190
ARG A 295
 None
 0.92A 4acbB-2r3aA:
undetectable
4acbC-2r3aA:
undetectable		 4acbB-2r3aA:
21.49
4acbC-2r3aA:
21.49
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 ASP B  68
ILE B  69
GLY B  70
VAL B  95
 None
 0.64A 4acbB-2rhqB:
undetectable
4acbC-2rhqB:
undetectable		 4acbB-2rhqB:
21.80
4acbC-2rhqB:
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.
2vd2 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
subtilis) 		PF01634
(HisG) 		4 ASP A  75
GLY A  73
VAL A  84
SER A 188
 None
 0.92A 4acbB-2vd2A:
undetectable
4acbC-2vd2A:
undetectable		 4acbB-2vd2A:
18.92
4acbC-2vd2A:
18.92
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.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		5 ASP A  28
ILE A  29
GLY A  20
VAL A 453
ARG A 101
 None
None
None
None
ADP  A1843 (-3.1A)
 1.28A 4acbB-2vf8A:
undetectable
4acbC-2vf8A:
undetectable		 4acbB-2vf8A:
20.30
4acbC-2vf8A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vf8 EXCINUCLEASE ABC
SUBUNIT A

(Deinococcus
radiodurans) 		PF00005
(ABC_tran) 		4 ASP A 804
ILE A 805
GLY A 530
ARG A 588
 None
 0.85A 4acbB-2vf8A:
undetectable
4acbC-2vf8A:
undetectable		 4acbB-2vf8A:
20.30
4acbC-2vf8A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vk2 ABC TRANSPORTER
PERIPLASMIC-BINDING
PROTEIN YTFQ

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 ILE A  62
GLY A   6
VAL A  75
GLN A  47
 None
 0.88A 4acbB-2vk2A:
5.5
4acbC-2vk2A:
4.6		 4acbB-2vk2A:
22.92
4acbC-2vk2A:
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.
2vrk ALPHA-L-ARABINOFURAN
OSIDASE

(Thermobacillus
xylanilyticus) 		PF06964
(Alpha-L-AF_C) 		4 ILE A 320
GLY A 454
VAL A 371
GLN A 353
 None
 0.81A 4acbB-2vrkA:
2.6
4acbC-2vrkA:
2.7		 4acbB-2vrkA:
20.92
4acbC-2vrkA:
20.92
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.
2wqq ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		4 ASP A 154
ILE A 153
GLY A 152
SER A  79
 None
CSF  A1259 (-4.4A)
None
None
 0.92A 4acbB-2wqqA:
undetectable
4acbC-2wqqA:
undetectable		 4acbB-2wqqA:
21.15
4acbC-2wqqA:
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.
2x63 ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		4 ASP A 154
ILE A 153
GLY A 152
SER A  79
 None
C  A1261 (-4.3A)
None
None
 0.80A 4acbB-2x63A:
undetectable
4acbC-2x63A:
undetectable		 4acbB-2x63A:
20.49
4acbC-2x63A:
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.
2ypd PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		4 ILE A2363
GLY A2362
VAL A2322
ARG A2436
 None
 0.71A 4acbB-2ypdA:
undetectable
4acbC-2ypdA:
undetectable		 4acbB-2ypdA:
22.94
4acbC-2ypdA:
22.94
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.
2yqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Candida
albicans) 		PF01704
(UDPGP) 		4 ILE A  99
GLY A 100
VAL A 106
GLN A 193
 None
 0.88A 4acbB-2yqhA:
2.1
4acbC-2yqhA:
2.1		 4acbB-2yqhA:
24.09
4acbC-2yqhA:
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 4 ASP X 102
ILE X 103
GLY X 101
VAL X  83
 None
 0.88A 4acbB-2z22X:
undetectable
4acbC-2z22X:
undetectable		 4acbB-2z22X:
22.76
4acbC-2z22X:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		4 ILE A 127
PHE A 129
VAL A 356
SER A 359
 None
 0.92A 4acbB-2zzgA:
5.0
4acbC-2zzgA:
4.3		 4acbB-2zzgA:
22.29
4acbC-2zzgA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ASP A 589
ILE A 588
GLY A 590
PHE A 591
VAL A 415
 None
 1.31A 4acbB-3af5A:
2.7
4acbC-3af5A:
2.2		 4acbB-3af5A:
22.65
4acbC-3af5A:
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.
3aja PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01083
(Cutinase) 		4 ASP A 188
ILE A 185
VAL A  79
ARG A 164
 None
 0.87A 4acbB-3ajaA:
4.2
4acbC-3ajaA:
4.2		 4acbB-3ajaA:
21.02
4acbC-3ajaA:
21.02
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.
3auf GLYCINAMIDE
RIBONUCLEOTIDE
TRANSFORMYLASE 1

(Symbiobacterium
toebii) 		PF00551
(Formyl_trans_N) 		4 ILE A   8
GLY A  10
GLN A  16
ARG A  23
 None
 0.74A 4acbB-3aufA:
4.0
4acbC-3aufA:
4.4		 4acbB-3aufA:
21.47
4acbC-3aufA:
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.
3bjr PUTATIVE
CARBOXYLESTERASE

(Lactobacillus
plantarum) 		PF07859
(Abhydrolase_3) 		4 ASP A 196
GLY A 227
VAL A 152
SER A  41
 None
 0.92A 4acbB-3bjrA:
4.3
4acbC-3bjrA:
4.2		 4acbB-3bjrA:
19.12
4acbC-3bjrA:
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.
3c12 FLAGELLAR PROTEIN

(Xanthomonas
campestris) 		PF13860
(FlgD_ig)
PF13861
(FLgD_tudor) 		4 ASP A  73
ILE A  72
GLY A  76
VAL A 102
 None
 0.84A 4acbB-3c12A:
undetectable
4acbC-3c12A:
undetectable		 4acbB-3c12A:
16.49
4acbC-3c12A:
16.49
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.
3cos ALCOHOL
DEHYDROGENASE 4

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A 229
ILE A 228
GLY A 205
VAL A 268
SER A 199
 NAD  A 400 (-2.9A)
None
NAD  A 400 (-3.4A)
None
None
 1.30A 4acbB-3cosA:
2.6
4acbC-3cosA:
3.1		 4acbB-3cosA:
22.59
4acbC-3cosA:
22.59
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.
3d1r FRUCTOSE-1,6-BISPHOS
PHATASE CLASS II
GLPX

(Escherichia
coli) 		PF03320
(FBPase_glpX) 		4 ASP A  50
ILE A  49
GLY A  51
SER A  15
 None
 0.87A 4acbB-3d1rA:
undetectable
4acbC-3d1rA:
undetectable		 4acbB-3d1rA:
23.73
4acbC-3d1rA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		4 ASP A 185
ILE A 186
GLY A 187
PHE A 257
 None
 0.70A 4acbB-3dp7A:
3.2
4acbC-3dp7A:
3.7		 4acbB-3dp7A:
19.76
4acbC-3dp7A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 ILE A 397
GLY A 398
PHE A 399
VAL A 427
SER A 458
 None
 1.30A 4acbB-3eb7A:
undetectable
4acbC-3eb7A:
undetectable		 4acbB-3eb7A:
21.42
4acbC-3eb7A:
21.42
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.
3eno PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00814
(Peptidase_M22) 		4 ILE A 288
GLY A 287
VAL A 118
ARG A 261
 None
 0.88A 4acbB-3enoA:
2.8
4acbC-3enoA:
undetectable		 4acbB-3enoA:
23.01
4acbC-3enoA:
23.01
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.
3ftt PUTATIVE
ACETYLTRANSFERASE
SACOL2570

(Staphylococcus
aureus) 		PF00132
(Hexapep)
PF12464
(Mac)
PF14602
(Hexapep_2) 		4 GLY A 108
PHE A 109
VAL A  81
SER A 135
 None
 0.92A 4acbB-3fttA:
undetectable
4acbC-3fttA:
undetectable		 4acbB-3fttA:
19.80
4acbC-3fttA:
19.80
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.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 ILE A 149
GLY A 151
VAL A 115
SER A  74
 None
 0.79A 4acbB-3g1uA:
3.0
4acbC-3g1uA:
4.8		 4acbB-3g1uA:
22.86
4acbC-3g1uA:
22.86
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.
3gay FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Giardia
intestinalis) 		PF01116
(F_bP_aldolase) 		4 ILE A  34
GLY A  33
VAL A 254
SER A 214
 None
None
P6T  A 327 (-4.3A)
None
 0.80A 4acbB-3gayA:
undetectable
4acbC-3gayA:
2.8		 4acbB-3gayA:
22.63
4acbC-3gayA:
22.63
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.
3gv5 DNA POLYMERASE IOTA

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 ILE B 242
GLY B 243
VAL B 258
SER B 232
 None
 0.90A 4acbB-3gv5B:
undetectable
4acbC-3gv5B:
undetectable		 4acbB-3gv5B:
22.31
4acbC-3gv5B:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ILE A 672
GLY A 671
PHE B1075
VAL B1044
SER B1024
 None
 1.19A 4acbB-3h0gA:
undetectable
4acbC-3h0gA:
undetectable		 4acbB-3h0gA:
16.45
4acbC-3h0gA:
16.45