SIMILAR PATTERNS OF AMINO ACIDS FOR 4HFP_B_15UB402_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a0j TRYPSIN

(Salmo salar) 		PF00089
(Trypsin) 		5 HIS A  57
LEU A  99
ASP A 189
GLY A 216
GLY A 226
 SO4  A 248 (-3.9A)
None
BEN  A 246 (-3.0A)
BEN  A 246 ( 3.9A)
BEN  A 246 (-3.3A)
 0.33A 4hfpB-1a0jA:
34.4		 4hfpB-1a0jA:
37.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		5 HIS A 273
ASP A 262
GLU A 163
GLY A 266
GLY A 264
 None
 1.19A 4hfpB-1a80A:
undetectable		 4hfpB-1a80A:
23.00
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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		6 LEU A 105
ALA A 100
ASP A 387
GLY A 103
CYH A   1
GLY A 385
 None
 1.25A 4hfpB-1ao0A:
undetectable		 4hfpB-1ao0A:
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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 LEU A  66
ALA A 148
ASP A 338
CYH A 341
GLY A 396
 None
 1.16A 4hfpB-1cpyA:
0.0		 4hfpB-1cpyA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6h CHALCONE SYNTHASE

(Medicago sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 384
ALA A 326
ILE A  19
CYH A 341
GLY A 167
 None
 1.10A 4hfpB-1d6hA:
undetectable		 4hfpB-1d6hA:
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.
1ee0 2-PYRONE SYNTHASE

(Gerbera hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 389
ALA A 331
ILE A  24
CYH A 346
GLY A 172
 None
 1.24A 4hfpB-1ee0A:
undetectable		 4hfpB-1ee0A:
21.23
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.
1ept PORCINE E-TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 HIS A  57
LEU B  99
ASP C 189
GLY C 216
GLY C 226
 None
 0.41A 4hfpB-1eptA:
2.2		 4hfpB-1eptA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 ALA B  95
ILE B 145
ASP B 140
GLY B 122
GLY B 142
 None
 1.27A 4hfpB-1gydB:
undetectable		 4hfpB-1gydB:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h4w TRYPSIN IVA

(Homo sapiens) 		PF00089
(Trypsin) 		5 HIS A  57
LEU A  99
ASP A 189
GLY A 216
GLY A 226
 None
None
BEN  A 250 (-2.9A)
BEN  A 250 (-3.9A)
BEN  A 250 (-3.3A)
 0.31A 4hfpB-1h4wA:
34.4		 4hfpB-1h4wA:
36.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		5 TRP A 108
ALA A  98
ILE A 128
GLY A 126
GLY A 120
 None
None
None
CO3  A 700 (-3.6A)
None
 1.19A 4hfpB-1h76A:
undetectable		 4hfpB-1h76A:
16.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 HIS E  57
LEU E  99
ASP E 189
GLY E 216
GLY E 226
 None
 0.36A 4hfpB-1h9hE:
34.1		 4hfpB-1h9hE:
38.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 TYR A 541
ILE A  21
GLU A 360
GLY A  19
GLY A 244
 None
 1.04A 4hfpB-1j2bA:
undetectable		 4hfpB-1j2bA:
17.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus) 		PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 HIS K  57
TYR K  60
LEU K  99
GLU K 146
GLY K 216
GLY K 226
 None
 1.24A 4hfpB-1mkxK:
36.0		 4hfpB-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus) 		PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 HIS K  57
TYR K  60
LEU K  99
ILE K 174
GLU K 146
GLY K 226
 None
 0.86A 4hfpB-1mkxK:
36.0		 4hfpB-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus) 		PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 HIS K  57
TYR K  60
TRP K  60
LEU K  99
GLY K 216
GLY K 226
 None
 0.87A 4hfpB-1mkxK:
36.0		 4hfpB-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus) 		PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 HIS K  57
TYR K  60
TRP K  60
LEU K  99
ILE K 174
GLY K 226
 None
 0.57A 4hfpB-1mkxK:
36.0		 4hfpB-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus) 		PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 TYR K  60
LYS K  60
LEU K  99
GLU K 146
GLY K 216
GLY K 226
 None
 1.34A 4hfpB-1mkxK:
36.0		 4hfpB-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus) 		PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 TYR K  60
LYS K  60
LEU K  99
ILE K 174
GLU K 146
GLY K 226
 None
 0.98A 4hfpB-1mkxK:
36.0		 4hfpB-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus) 		PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 TYR K  60
TRP K  60
LYS K  60
LEU K  99
GLY K 216
GLY K 226
 None
 1.06A 4hfpB-1mkxK:
36.0		 4hfpB-1mkxK:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mkx PRETHROMBIN-2

(Bos taurus) 		PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 TYR K  60
TRP K  60
LYS K  60
LEU K  99
ILE K 174
GLY K 226
 None
 0.80A 4hfpB-1mkxK:
36.0		 4hfpB-1mkxK:
86.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mu2 HIV-2 RT

(Human
immunodeficiency
virus 2) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 HIS A 549
ALA A 537
GLY A 542
CYH B 280
GLY B 285
 SO4  A1303 (-4.2A)
None
None
None
None
 1.02A 4hfpB-1mu2A:
undetectable		 4hfpB-1mu2A:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1riw THROMBIN HEAVY
CHAIN, B

(Homo sapiens) 		PF00089
(Trypsin) 		5 HIS B  79
TYR B  83
TRP B  86
LYS B  88
LEU B 132
 None
 0.56A 4hfpB-1riwB:
19.6		 4hfpB-1riwB:
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.
1wwz HYPOTHETICAL PROTEIN
PH1933

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		5 LEU A 107
ILE A 121
GLU A  90
CYH A  49
GLY A  56
 None
None
ACO  A1001 (-3.9A)
None
None
 1.28A 4hfpB-1wwzA:
undetectable		 4hfpB-1wwzA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xw8 UPF0271 PROTEIN YBGL

(Escherichia
coli) 		PF03746
(LamB_YcsF) 		5 HIS A 106
ALA A  56
ASP A  16
GLY A  10
GLY A  12
 None
 1.18A 4hfpB-1xw8A:
undetectable		 4hfpB-1xw8A:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ycp EPSILON THROMBIN

(Bos taurus) 		PF00089
(Trypsin) 		5 HIS K  57
TYR K  60
TRP K  60
LYS K  60
LEU K  99
 None
 0.49A 4hfpB-1ycpK:
19.0		 4hfpB-1ycpK:
72.88
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.
2dc1 L-ASPARTATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF01958
(DUF108)
PF03447
(NAD_binding_3) 		5 TYR A 217
ASP A  31
GLU A 211
GLY A  12
GLY A   7
 None
NAD  A 242 (-2.9A)
None
None
NAD  A 242 (-3.6A)
 1.27A 4hfpB-2dc1A:
undetectable		 4hfpB-2dc1A:
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.
2e1m L-GLUTAMATE OXIDASE

(Streptomyces
sp. X-119-6) 		PF01593
(Amino_oxidase) 		5 LEU A 340
ALA C 665
ILE A  68
GLY A  70
GLY A  65
 None
None
FAD  A 801 (-4.7A)
None
FAD  A 801 (-3.4A)
 1.16A 4hfpB-2e1mA:
undetectable		 4hfpB-2e1mA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f91 HEPATOPANCREAS
TRYPSIN

(Astacus
leptodactylus) 		PF00089
(Trypsin) 		5 HIS A  57
LEU A  99
ASP A 189
GLY A 216
GLY A 227
 None
 0.39A 4hfpB-2f91A:
35.1		 4hfpB-2f91A:
36.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h98 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 LEU A  92
ALA A 272
ILE A 109
GLY A  95
CYH A 126
 None
 1.26A 4hfpB-2h98A:
undetectable		 4hfpB-2h98A:
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.
2hwk HELICASE NSP2

(Venezuelan
equine
encephalitis
virus) 		PF01707
(Peptidase_C9) 		5 LEU A 703
ALA A 657
ILE A 677
ASP A 670
GLY A 669
 None
 1.28A 4hfpB-2hwkA:
undetectable		 4hfpB-2hwkA:
20.24
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.
2ivd PROTOPORPHYRINOGEN
OXIDASE

(Myxococcus
xanthus) 		PF01593
(Amino_oxidase) 		5 LEU A 237
ALA A 459
ILE A  19
GLY A  21
GLY A  16
 None
None
None
None
FAD  A1466 (-3.2A)
 0.96A 4hfpB-2ivdA:
undetectable		 4hfpB-2ivdA:
19.79
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.
2mqs MATRIX
METALLOPROTEINASE-14
THP_L_AND_M_CHAIN

(;
Homo sapiens) 		PF00045
(Hemopexin)
PF01391
(Collagen) 		5 TRP A 361
ALA A 393
ILE B  13
GLU A 392
GLY B  15
 None
 1.24A 4hfpB-2mqsA:
undetectable		 4hfpB-2mqsA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nlx XYLULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 HIS A  78
LEU A 151
ALA A 235
GLY A  75
GLY A   8
 None
 1.24A 4hfpB-2nlxA:
undetectable		 4hfpB-2nlxA:
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.
2pjd RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE C

(Escherichia
coli) 		PF05175
(MTS)
PF08468
(MTS_N) 		5 TRP A 159
ALA A 238
ASP A 202
GLY A 206
GLY A 204
 None
 0.99A 4hfpB-2pjdA:
undetectable		 4hfpB-2pjdA:
23.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pks THROMBIN HEAVY CHAIN
FRAGMENT

(Homo sapiens) 		PF00089
(Trypsin) 		5 ILE C 209
ASP C 229
GLU C 232
GLY C 258
GLY C 268
 G44  C 101 (-3.9A)
G44  C 101 (-2.6A)
None
G44  C 101 (-3.3A)
G44  C 101 (-3.0A)
 0.69A 4hfpB-2pksC:
12.1		 4hfpB-2pksC:
99.02
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.
2raf PUTATIVE
DINUCLEOTIDE-BINDING
OXIDOREDUCTASE

(Lactobacillus
plantarum) 		PF03807
(F420_oxidored) 		5 LEU A 115
ILE A  70
GLU A  20
GLY A  12
GLY A   9
 None
NAP  A 200 ( 4.3A)
None
None
NAP  A 200 ( 3.2A)
 1.21A 4hfpB-2rafA:
undetectable		 4hfpB-2rafA:
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 TRP A  71
ALA A 151
ASP A  32
GLY A  14
GLY A   9
 None
None
FAD  A1373 (-2.6A)
None
FAD  A1373 (-3.5A)
 1.05A 4hfpB-2uzzA:
undetectable		 4hfpB-2uzzA:
22.28
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 LEU A 806
ALA A 786
ILE A 779
ASP A 659
GLY A 754
 None
None
None
LEU  A2291 (-4.3A)
LEU  A2291 ( 4.7A)
 1.09A 4hfpB-2vsqA:
undetectable		 4hfpB-2vsqA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 TYR A 398
ALA A 889
ILE A 827
GLY A 859
GLY A 856
 None
 1.11A 4hfpB-2x0sA:
undetectable		 4hfpB-2x0sA:
13.41
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.
2xw7 DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		PF01872
(RibD_C) 		5 TYR A  66
TRP A  64
ILE A  79
ASP A 116
GLY A  51
 None
None
None
NDP  A1173 (-2.8A)
NDP  A1173 (-3.4A)
 1.09A 4hfpB-2xw7A:
undetectable		 4hfpB-2xw7A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zxo SINGLE-STRANDED DNA
SPECIFIC EXONUCLEASE
RECJ

(Thermus
thermophilus) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 HIS A 160
ALA A 220
ILE A  91
GLY A  85
GLY A  79
 None
 1.08A 4hfpB-2zxoA:
undetectable		 4hfpB-2zxoA:
15.94
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 TRP A 510
LEU A 433
ALA A 364
ILE A 440
GLY A 402
 None
 1.11A 4hfpB-3ayfA:
undetectable		 4hfpB-3ayfA:
13.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 HIS H  57
ASP H 189
GLU H 192
GLY H 216
GLY H 226
 0G6  H   1 (-3.2A)
0G6  H   1 (-2.8A)
0G6  H   1 ( 4.0A)
0G6  H   1 (-3.8A)
0G6  H   1 ( 3.9A)
 0.63A 4hfpB-3f6uH:
35.4		 4hfpB-3f6uH:
39.85
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.
3fmq METHIONINE
AMINOPEPTIDASE 2

(Encephalitozoon
cuniculi) 		PF00557
(Peptidase_M24) 		5 TYR A 358
ILE A  79
GLU A 339
GLY A 132
GLY A  96
 None
None
FE  A 452 ( 2.4A)
None
None
 1.25A 4hfpB-3fmqA:
undetectable		 4hfpB-3fmqA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 LEU A 157
ALA A 373
ILE A  14
GLY A  16
GLY A  11
 None
None
FAD  A 902 (-4.8A)
None
FAD  A 902 (-3.2A)
 0.97A 4hfpB-3gsiA:
undetectable		 4hfpB-3gsiA:
16.05
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.
3i1a SPECTINOMYCIN
PHOSPHOTRANSFERASE

(Legionella
pneumophila) 		PF01636
(APH) 		5 LEU A 113
ILE A 246
GLU A  76
GLY A 122
GLY A 266
 None
 1.15A 4hfpB-3i1aA:
undetectable		 4hfpB-3i1aA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4x TRYPTOPHAN
DIMETHYLALLYLTRANSFE
RASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		5 HIS A 389
TYR A 384
LEU A 392
ALA A 423
ILE A 320
 None
 1.27A 4hfpB-3i4xA:
undetectable		 4hfpB-3i4xA:
19.02
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.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		5 LEU A 343
ALA A 305
ILE A 166
GLY A 369
GLY A 183
 None
 1.29A 4hfpB-3k2kA:
undetectable		 4hfpB-3k2kA:
19.43
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.
3krt CROTONYL COA
REDUCTASE

(Streptomyces
coelicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A  74
ALA A  33
ILE A   8
CYH A 421
GLY A 127
 None
 1.23A 4hfpB-3krtA:
undetectable		 4hfpB-3krtA:
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.
3mgk INTRACELLULAR
PROTEASE/AMIDASE
RELATED ENZYME (THIJ
FAMILY)

(Clostridium
acetobutylicum) 		PF01965
(DJ-1_PfpI) 		5 ALA A 119
ILE A  88
ASP A  17
GLY A 104
GLY A  71
 None
 1.26A 4hfpB-3mgkA:
undetectable		 4hfpB-3mgkA:
24.61
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.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 LEU A 240
ALA A 467
ILE A  12
GLY A  14
GLY A   9
 None
None
None
None
FAD  A 479 (-3.3A)
 1.18A 4hfpB-3nksA:
undetectable		 4hfpB-3nksA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no4 CREATININE
AMIDOHYDROLASE

(Nostoc
punctiforme) 		PF02633
(Creatininase) 		5 HIS A 167
ILE A 114
GLY A 109
CYH A  43
GLY A  26
 UNL  A 350 ( 4.4A)
None
None
None
None
 1.02A 4hfpB-3no4A:
undetectable		 4hfpB-3no4A:
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.
3no4 CREATININE
AMIDOHYDROLASE

(Nostoc
punctiforme) 		PF02633
(Creatininase) 		5 ILE A 114
GLU A 172
GLY A 109
CYH A  43
GLY A  26
 None
NI  A 300 (-2.3A)
None
None
None
 1.27A 4hfpB-3no4A:
undetectable		 4hfpB-3no4A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		5 HIS A 457
TYR A 460
TRP A 460
LEU A 499
GLY A 616
 None
 1.16A 4hfpB-3nxpA:
29.8		 4hfpB-3nxpA:
99.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 HIS A 457
TYR A 460
TRP A 460
LEU A 499
ILE A 574
GLY A 626
 None
 1.05A 4hfpB-3nxpA:
29.8		 4hfpB-3nxpA:
99.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 HIS A 187
ALA A 455
ILE A 389
GLU A  86
GLY A 145
 MCA  A 486 ( 4.2A)
CL  A 498 ( 3.7A)
None
None
None
 1.12A 4hfpB-3nyqA:
undetectable		 4hfpB-3nyqA:
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 LEU A 525
ALA A 159
ILE A  43
GLY A 153
GLY A 179
 None
 1.04A 4hfpB-3q3qA:
undetectable		 4hfpB-3q3qA:
15.71
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 HIS A 138
LEU A 392
ILE A 346
GLU A 366
GLY A 370
 None
 1.24A 4hfpB-3qtpA:
undetectable		 4hfpB-3qtpA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3g THROMBIN HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		8 HIS B  57
TYR B  60
LEU B  99
ILE B 174
ASP B 189
GLU B 192
GLY B 216
GLY B 226
 None
 0.74A 4hfpB-3r3gB:
43.1		 4hfpB-3r3gB:
97.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3g THROMBIN HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 LYS B  60
ASP B 189
GLU B 192
GLY B 216
GLY B 226
 None
 0.96A 4hfpB-3r3gB:
43.1		 4hfpB-3r3gB:
97.30
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		5 LEU A  32
ALA A  49
ILE A  89
GLY A  44
GLY A  40
 None
 1.27A 4hfpB-3s51A:
undetectable		 4hfpB-3s51A:
11.88
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.
3wvo CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		PF09481
(CRISPR_Cse1) 		5 TRP A 470
LEU A 407
ALA A 422
GLY A 334
GLY A 339
 None
 1.15A 4hfpB-3wvoA:
undetectable		 4hfpB-3wvoA:
20.54
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.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 5 TYR A 224
LEU A 232
ALA A 211
GLY A 194
GLY A 189
 None
 1.29A 4hfpB-3wvrA:
undetectable		 4hfpB-3wvrA:
18.30
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 TYR A 240
LEU A 407
ILE A   4
GLY A 381
GLY A   8
 None
 1.25A 4hfpB-3zh4A:
undetectable		 4hfpB-3zh4A:
21.55
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.
4cpd ALCOHOL
DEHYDROGENASE

(Thermus sp.
ATN1) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 338
ILE A 153
ASP A 200
GLY A 178
GLY A 176
 None
None
NAD  A1407 (-3.1A)
NAD  A1407 (-3.6A)
NAD  A1407 ( 3.9A)
 1.12A 4hfpB-4cpdA:
undetectable		 4hfpB-4cpdA:
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.
4dav SUGAR FERMENTATION
STIMULATION PROTEIN
HOMOLOG

(Pyrococcus
furiosus) 		PF03749
(SfsA) 		5 LEU A  42
ALA A 176
ILE A  36
GLY A  68
GLY A  52
 None
 1.27A 4hfpB-4davA:
undetectable		 4hfpB-4davA:
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 122
ALA A 284
ILE A 107
GLY A 343
GLY A 339
 None
 1.16A 4hfpB-4dpkA:
undetectable		 4hfpB-4dpkA:
20.61
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.
4ej6 PUTATIVE
ZINC-BINDING
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A  43
ILE A 324
GLU A 143
GLY A  57
GLY A 114
 None
 1.19A 4hfpB-4ej6A:
undetectable		 4hfpB-4ej6A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A   6
ALA A  65
ASP A  53
GLY A 112
GLY A 103
 None
None
None
None
SEP  A 104 ( 2.4A)
 1.24A 4hfpB-4hjhA:
undetectable		 4hfpB-4hjhA:
20.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 HIS A 363
TYR A 367
TRP A 370
LYS A 372
LEU A 416
GLY A 558
 None
 0.96A 4hfpB-4hzhA:
29.5		 4hfpB-4hzhA:
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.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides) 		PF16113
(ECH_2) 		5 ALA A 277
ILE A  95
GLU A 281
GLY A 116
GLY A 114
 None
 1.19A 4hfpB-4j2uA:
undetectable		 4hfpB-4j2uA:
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.
4jlw GLUTATHIONE-INDEPEND
ENT FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 HIS A  52
ILE A 171
ASP A 218
GLY A 196
GLY A 194
 NAD  A 403 (-3.8A)
None
NAD  A 403 (-2.7A)
NAD  A 403 (-3.2A)
NAD  A 403 (-3.7A)
 1.15A 4hfpB-4jlwA:
undetectable		 4hfpB-4jlwA:
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 LEU A  69
ILE A  99
GLU A  36
GLY A  63
GLY A  61
 None
None
None
None
SAH  A 502 (-3.4A)
 1.25A 4hfpB-4krgA:
undetectable		 4hfpB-4krgA:
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.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 ALA B 250
ILE B 220
ASP B 288
GLY B 285
GLY B 287
 None
 1.14A 4hfpB-4lrsB:
undetectable		 4hfpB-4lrsB:
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.
4nmy ABC-TYPE TRANSPORT
SYSTEM,
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		PF09084
(NMT1) 		5 TYR A 219
TRP A 263
LEU A  21
ALA A  82
GLY A  59
 None
 1.21A 4hfpB-4nmyA:
undetectable		 4hfpB-4nmyA:
21.52
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 LEU A 125
ALA A 203
ILE A  80
GLY A  53
GLY A  36
 None
 0.98A 4hfpB-4qi6A:
undetectable		 4hfpB-4qi6A:
14.27
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.
4qi7 CELLOBIOSE
DEHYDROGENASE

(Neurospora
crassa) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 LEU A 125
ALA A 203
ILE A  80
GLY A  50
GLY A  33
 None
 1.04A 4hfpB-4qi7A:
undetectable		 4hfpB-4qi7A:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 5 LEU A  87
ALA A  78
ILE A  94
GLY A   7
GLY A   9
 None
 1.17A 4hfpB-4yteA:
undetectable		 4hfpB-4yteA:
19.53
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 HIS A 213
TYR A 215
ILE A  35
GLY A  67
GLY A 110
 None
 1.08A 4hfpB-5bwiA:
undetectable		 4hfpB-5bwiA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fjp O-SUCCINYLBENZOATE
SYNTHASE

(Amycolatopsis
sp.) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  90
ALA A  63
GLU A  58
GLY A 101
GLY A 269
 None
 1.21A 4hfpB-5fjpA:
undetectable		 4hfpB-5fjpA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5icl LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 LEU A  82
ILE A 105
GLU A  18
GLY A 148
GLY A 134
 None
None
None
LAQ  A 401 ( 3.8A)
LAQ  A 401 (-3.2A)
 1.15A 4hfpB-5iclA:
undetectable		 4hfpB-5iclA:
22.74
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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 HIS A 161
ALA A 325
ILE A  86
GLY A 166
GLY A  83
 None
 1.17A 4hfpB-5jodA:
undetectable		 4hfpB-5jodA:
20.21
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.
5l2q SERINE/THREONINE-PRO
TEIN KINASE 40

(Homo sapiens) 		no annotation 5 TYR C 239
LEU C 200
ILE C 164
ASP C 296
GLY C 270
 None
 1.25A 4hfpB-5l2qC:
undetectable		 4hfpB-5l2qC:
23.86
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.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 LEU A 229
ALA A 486
ILE A 225
GLY A  17
GLY A  12
 None
None
None
None
FAD  A1801 (-3.2A)
 1.27A 4hfpB-5laeA:
undetectable		 4hfpB-5laeA:
19.27
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.
5lm8 'MULTICOPPER OXIDASE

(Aspergillus
niger) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 110
ALA A 250
ILE A  84
ASP A 292
GLY A 147
 CU  A 601 (-2.9A)
None
None
None
None
 1.13A 4hfpB-5lm8A:
undetectable		 4hfpB-5lm8A:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m32 PROTEASOME SUBUNIT
ALPHA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LEU C 144
ALA C 209
ILE C 133
ASP C 214
GLY C 135
 None
 1.15A 4hfpB-5m32C:
undetectable		 4hfpB-5m32C:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 HIS B 199
TYR B 200
LEU B 178
ASP B 169
GLY B 180
 None
 1.08A 4hfpB-5n1qB:
undetectable		 4hfpB-5n1qB:
21.28
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 HIS B 199
TYR B 200
LEU B 178
ASP B 169
GLY B 180
 None
 0.95A 4hfpB-5n28B:
undetectable		 4hfpB-5n28B:
22.43
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.
5nbo GLYCOSYL HYDROLASE
FAMILY 16

(Bacteroides
ovatus) 		no annotation 5 TYR A 198
LEU A 117
GLU A 148
GLY A 150
GLY A 123
 None
 1.11A 4hfpB-5nboA:
undetectable		 4hfpB-5nboA:
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.
5t96 HE PROTEIN

(Salmon isavirus) 		PF06215
(ISAV_HA) 		5 LEU A 223
ALA A 110
ILE A  29
GLY A 116
GLY A 120
 None
 1.10A 4hfpB-5t96A:
undetectable		 4hfpB-5t96A:
20.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		5 HIS B  58
LYS B  67
ASP B 214
GLY B 243
GLY B 253
 0G6  B 501 (-2.5A)
None
0G6  B 501 (-2.9A)
0G6  B 501 (-3.7A)
0G6  B 501 (-3.6A)
 0.81A 4hfpB-5to3B:
44.5		 4hfpB-5to3B:
88.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		7 HIS B  58
TYR B  62
LEU B 111
ILE B 194
ASP B 214
GLY B 243
GLY B 253
 0G6  B 501 (-2.5A)
0G6  B 501 (-3.7A)
0G6  B 501 ( 3.8A)
None
0G6  B 501 (-2.9A)
0G6  B 501 (-3.7A)
0G6  B 501 (-3.6A)
 0.39A 4hfpB-5to3B:
44.5		 4hfpB-5to3B:
88.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		6 TYR B  62
TRP B  65
LEU B 111
ILE B 194
GLY B 243
GLY B 253
 0G6  B 501 (-3.7A)
0G6  B 501 (-4.8A)
0G6  B 501 ( 3.8A)
None
0G6  B 501 (-3.7A)
0G6  B 501 (-3.6A)
 0.83A 4hfpB-5to3B:
44.5		 4hfpB-5to3B:
88.28
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 HIS A  80
LEU A 152
ALA A 237
GLY A  77
GLY A   8
 None
 1.28A 4hfpB-5vm1A:
undetectable		 4hfpB-5vm1A:
20.41
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 ALA A 325
ILE A 251
ASP A 288
GLY A 292
GLY A 290
 None
None
SAH  A 703 ( 4.6A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.0A)
 1.20A 4hfpB-5wp4A:
undetectable		 4hfpB-5wp4A:
20.54
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 ALA A 325
ILE A 251
ASP A 288
GLY A 292
GLY A 290
 None
None
SAH  A 501 ( 4.4A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.8A)
 1.28A 4hfpB-5wp5A:
undetectable		 4hfpB-5wp5A:
21.52
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.
6ane POLY(ETHYLENE
TEREPHTHALATE)
HYDROLASE

(Ideonella
sakaiensis) 		no annotation 5 HIS A 210
ALA A 213
ILE A 191
GLY A 136
GLY A 138
 None
 1.26A 4hfpB-6aneA:
undetectable		 4hfpB-6aneA:
15.06
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT C'
V-TYPE PROTON ATPASE
SUBUNIT C''

(Saccharomyces
cerevisiae) 		no annotation 5 ALA C 162
ILE C 184
ASP D 121
GLY D  42
GLY D  44
 None
 1.24A 4hfpB-6c6lC:
undetectable		 4hfpB-6c6lC:
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.
6ehn CARBOHYDRATE
ESTERASE MZ0003

(unidentified
prokaryotic
organism) 		no annotation 5 ALA A 273
ILE A 212
GLU A 340
GLY A 246
GLY A 241
 None
 1.19A 4hfpB-6ehnA:
undetectable		 4hfpB-6ehnA:
13.95
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.
6grw -

(-) 		no annotation 5 ALA A 297
ILE A 236
GLU A 364
GLY A 270
GLY A 265
 CA  A 503 ( 4.9A)
None
None
None
None
 1.27A 4hfpB-6grwA:
undetectable		 4hfpB-6grwA:
undetectable