SIMILAR PATTERNS OF AMINO ACIDS FOR 5KPC_B_SAMB401

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.
1avb ARCELIN-1

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		5 GLY A  44
GLY A  20
ASN A  34
THR A 213
ALA A  46
 None
 1.17A 5kpcB-1avbA:
undetectable		 5kpcB-1avbA:
20.45
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 SER A  59
GLY A  83
GLY A  85
SER A 109
ASP A 134
 SAH  A 699 ( 3.9A)
SAH  A 699 (-3.2A)
SAH  A 699 (-3.5A)
None
SAH  A 699 (-3.5A)
 1.09A 5kpcB-1dl5A:
7.7		 5kpcB-1dl5A:
21.63
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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 GLY A 549
GLY A 572
SER A  76
VAL A 530
ALA A 569
 None
 1.12A 5kpcB-1flgA:
undetectable		 5kpcB-1flgA:
20.10
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 GLY A  20
GLY A  22
SER A  46
ASP A  72
VAL A  73
 NAD  A1268 (-3.4A)
NAD  A1268 ( 4.1A)
None
NAD  A1268 (-3.5A)
NAD  A1268 (-3.5A)
 1.03A 5kpcB-1iy8A:
undetectable		 5kpcB-1iy8A:
19.71
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.
1jzt HYPOTHETICAL 27.5
KDA PROTEIN IN
SPX19-GCR2
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF03853
(YjeF_N) 		5 GLY A  74
GLY A  72
ASP A 138
VAL A 137
ALA A  35
 None
 1.12A 5kpcB-1jztA:
4.4		 5kpcB-1jztA:
19.95
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 SER A  34
GLY A  72
GLY A  74
SER A  96
GLN A  99
 SAH  A1900 ( 3.6A)
SAH  A1900 (-3.1A)
SAH  A1900 (-3.2A)
None
SAH  A1900 (-2.9A)
 0.72A 5kpcB-1kphA:
27.8		 5kpcB-1kphA:
21.53
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.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 SER A  42
GLY A  80
GLY A  82
SER A 104
GLN A 107
 SAH  A 900 ( 2.8A)
SAH  A 900 (-3.3A)
SAH  A 900 (-3.1A)
None
SAH  A 900 (-2.9A)
 0.67A 5kpcB-1kpiA:
28.2		 5kpcB-1kpiA:
22.57
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.
1l1e MYCOLIC ACID
SYNTHASE

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 SER A  34
GLY A  72
GLY A  74
SER A  96
GLN A  99
 SAH  A 900 ( 2.7A)
SAH  A 900 (-3.1A)
SAH  A 900 (-3.4A)
None
SAH  A 900 (-3.1A)
 0.72A 5kpcB-1l1eA:
28.5		 5kpcB-1l1eA:
22.20
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.
1qy9 HYPOTHETICAL PROTEIN
YDDE

(Escherichia
coli) 		PF02567
(PhzC-PhzF) 		5 GLY A  18
ASP A 222
VAL A 224
THR A 225
ALA A 285
 None
None
None
GOL  A1000 (-4.3A)
None
 1.16A 5kpcB-1qy9A:
undetectable		 5kpcB-1qy9A:
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 GLY A 253
GLY A 119
ASP A 250
VAL A 257
THR A 258
 None
 1.17A 5kpcB-1sqjA:
undetectable		 5kpcB-1sqjA:
19.37
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.
1tpy METHOXY MYCOLIC ACID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 SER A  34
GLY A  72
GLY A  74
SER A  96
GLN A  99
 SAH  A1900 ( 2.7A)
SAH  A1900 (-3.2A)
SAH  A1900 (-3.3A)
None
SAH  A1900 (-3.0A)
 0.77A 5kpcB-1tpyA:
27.9		 5kpcB-1tpyA:
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.
1vjo ALANINE--GLYOXYLATE
AMINOTRANSFERASE

(Nostoc sp. PCC
7120) 		PF00266
(Aminotran_5) 		5 GLY A  82
GLY A  80
VAL A 185
THR A 184
ALA A  88
 PLP  A 400 (-3.2A)
None
PLP  A 400 (-4.2A)
None
None
 1.07A 5kpcB-1vjoA:
undetectable		 5kpcB-1vjoA:
24.34
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.
1x3s RAS-RELATED PROTEIN
RAB-18

(Homo sapiens) 		PF00071
(Ras) 		5 GLY A 157
ASN A 122
ASP A  89
VAL A  90
THR A  91
 None
GNP  A 300 (-3.2A)
None
None
None
 0.92A 5kpcB-1x3sA:
undetectable		 5kpcB-1x3sA:
19.49
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.
2dg2 APOLIPOPROTEIN A-I
BINDING PROTEIN

(Mus musculus) 		PF03853
(YjeF_N) 		5 GLY A  94
GLY A  92
ASP A 155
VAL A 154
ALA A  57
 None
 1.14A 5kpcB-2dg2A:
4.0		 5kpcB-2dg2A:
20.82
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.
2fk7 METHOXY MYCOLIC ACID
SYNTHASE 4

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 SER A  43
GLY A  81
GLY A  83
SER A 105
GLN A 108
 None
 0.82A 5kpcB-2fk7A:
24.8		 5kpcB-2fk7A:
23.79
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.
2h8l PROTEIN
DISULFIDE-ISOMERASE
A3

(Homo sapiens) 		PF13848
(Thioredoxin_6) 		5 SER A 165
GLY A 202
GLY A 200
THR A 223
ALA A 167
 None
 1.13A 5kpcB-2h8lA:
undetectable		 5kpcB-2h8lA:
21.71
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  64
GLY A  66
ASP A 143
VAL A 144
THR A 145
 SAH  A4001 (-4.1A)
SAH  A4001 (-3.2A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.6A)
SAH  A4001 ( 4.3A)
 0.82A 5kpcB-2i62A:
11.9		 5kpcB-2i62A:
20.99
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.
2ich PUTATIVE ATTH

(Nitrosomonas
europaea) 		PF07143
(CrtC)
PF17186
(Lipocalin_9) 		5 PHE A  66
GLY A 329
SER A 232
THR A 348
ALA A  96
 None
 1.17A 5kpcB-2ichA:
undetectable		 5kpcB-2ichA:
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.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  63
GLY A  65
ASP A 142
VAL A 143
THR A 144
 SAH  A4001 (-4.0A)
SAH  A4001 (-3.0A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
SAH  A4001 ( 4.2A)
 0.80A 5kpcB-2iipA:
11.7		 5kpcB-2iipA:
24.34
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.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		5 GLY A  63
GLY A  65
SER A  87
ASP A 142
THR A 144
 SAH  A4001 (-4.0A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.7A)
SAH  A4001 (-3.7A)
SAH  A4001 ( 4.2A)
 0.97A 5kpcB-2iipA:
11.7		 5kpcB-2iipA:
24.34
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.
2n1b GTP-BINDING NUCLEAR
PROTEIN RAN

(Homo sapiens) 		PF00071
(Ras) 		5 ASN A 122
ASP A  91
VAL A  92
THR A  93
ALA A 194
 None
 1.03A 5kpcB-2n1bA:
undetectable		 5kpcB-2n1bA:
29.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2px5 GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)]

(Murray Valley
encephalitis
virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
SER A 128
ASP A 131
VAL A 132
 SAH  A 500 (-3.4A)
SAH  A 500 ( 3.7A)
None
SAH  A 500 (-3.5A)
SAH  A 500 (-3.6A)
 1.02A 5kpcB-2px5A:
7.2		 5kpcB-2px5A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q01 URONATE ISOMERASE

(Caulobacter
vibrioides) 		PF02614
(UxaC) 		5 LYS A 380
GLY A 412
GLY A 382
ASP A 415
ALA A 467
 None
 1.07A 5kpcB-2q01A:
undetectable		 5kpcB-2q01A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		5 SER A 280
GLY A  78
GLY A  70
ASP A 148
ALA A  16
 None
 1.07A 5kpcB-2quyA:
undetectable		 5kpcB-2quyA:
20.79
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.
2ral SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN G

(Staphylococcus
epidermidis) 		PF10425
(SdrG_C_C) 		5 GLY A 492
GLN A 495
ASP A 511
VAL A 512
THR A 513
 None
 0.98A 5kpcB-2ralA:
undetectable		 5kpcB-2ralA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wa2 NON-STRUCTURAL
PROTEIN 5

(Modoc virus) 		PF01728
(FtsJ) 		5 GLY A  82
GLY A  84
ASP A 132
VAL A 133
THR A 134
 SAM  A1248 (-3.3A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.6A)
SAM  A1248 (-3.4A)
SAM  A1248 (-3.8A)
 0.49A 5kpcB-2wa2A:
8.2		 5kpcB-2wa2A:
23.13
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  20
ASP A  66
VAL A  67
THR A  68
 NAD  A 500 (-3.3A)
NAD  A 500 ( 3.8A)
NAD  A 500 (-3.6A)
NAD  A 500 (-3.6A)
NAD  A 500 ( 4.2A)
 0.75A 5kpcB-2wsbA:
undetectable		 5kpcB-2wsbA:
19.41
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		5 PHE A  24
SER A  23
GLY A  36
ASP A  28
ALA A 192
 None
 1.11A 5kpcB-2wuqA:
undetectable		 5kpcB-2wuqA:
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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 PHE A 157
SER A 154
GLY A 200
GLY A 196
ASP A 211
 None
 1.14A 5kpcB-2y6iA:
undetectable		 5kpcB-2y6iA:
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.
3b47 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Geobacter
sulfurreducens) 		no annotation 5 GLY A  77
GLY A 162
ASP A  74
VAL A  75
ALA A  80
 None
 1.16A 5kpcB-3b47A:
undetectable		 5kpcB-3b47A:
16.79
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
SER A  93
GLN A  96
ASP A 119
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
None
SAH  A 274 (-2.8A)
SAH  A 274 (-3.6A)
 0.84A 5kpcB-3busA:
22.9		 5kpcB-3busA:
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  46
GLY A  48
ASN A  68
ASP A  89
ALA A 106
 None
None
None
None
BEZ  A 261 ( 4.7A)
 0.73A 5kpcB-3ccfA:
14.5		 5kpcB-3ccfA:
21.63
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.
3edn PHENAZINE
BIOSYNTHESIS
PROTEIN, PHZF FAMILY

(Bacillus
anthracis) 		PF02567
(PhzC-PhzF) 		5 GLY A  19
ASP A 226
VAL A 228
THR A 229
ALA A 289
 None
SO4  A 300 ( 4.8A)
None
SO4  A 300 (-4.5A)
None
 1.14A 5kpcB-3ednA:
undetectable		 5kpcB-3ednA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		5 GLY A  85
GLY A  87
ASN A 112
ASP A 138
ALA A 167
 SAH  A 277 (-3.4A)
SAH  A 277 (-3.1A)
SAH  A 277 (-3.3A)
SAH  A 277 (-3.5A)
SAH  A 277 (-3.4A)
 0.47A 5kpcB-3go4A:
9.7		 5kpcB-3go4A:
23.99
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.
3gpi NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Methylobacillus
flagellatus) 		PF13460
(NAD_binding_10) 		6 GLY A   8
GLN A  35
ASP A  47
VAL A  48
THR A  49
ALA A  71
 None
 1.28A 5kpcB-3gpiA:
4.6		 5kpcB-3gpiA:
18.84
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.
3gu3 METHYLTRANSFERASE

(Bacillus cereus) 		PF13847
(Methyltransf_31) 		5 GLY A  47
GLY A  49
ASP A  97
THR A  99
ALA A 114
 SAH  A 401 (-3.8A)
SAH  A 401 (-3.3A)
SAH  A 401 (-3.3A)
SAH  A 401 ( 4.0A)
SAH  A 401 (-4.4A)
 0.67A 5kpcB-3gu3A:
13.4		 5kpcB-3gu3A:
22.56
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		5 LYS A 790
GLY A 750
ASP A 763
VAL A 764
THR A 765
 None
 1.16A 5kpcB-3hx6A:
undetectable		 5kpcB-3hx6A:
20.45
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.
3i6s SUBTILISIN-LIKE
PROTEASE

(Solanum
lycopersicum) 		PF00082
(Peptidase_S8) 		5 SER A 221
GLY A 214
GLY A 216
VAL A 516
ALA A 511
 None
 1.12A 5kpcB-3i6sA:
undetectable		 5kpcB-3i6sA:
19.15
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.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 GLY A  97
SER A  80
VAL A   5
THR A   4
ALA A 245
 NAP  A 300 (-3.5A)
None
None
None
None
 1.17A 5kpcB-3ijpA:
undetectable		 5kpcB-3ijpA:
22.79
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.
3ksc LEGA CLASS

(Pisum sativum) 		PF00190
(Cupin_1) 		5 SER A 431
GLY A 327
ASP A 349
VAL A 345
THR A 346
 SO4  A 497 ( 4.1A)
SO4  A 497 ( 4.8A)
None
None
None
 1.16A 5kpcB-3kscA:
undetectable		 5kpcB-3kscA:
19.44
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.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLY A  76
GLY A 164
ASP A  80
VAL A  81
ALA A 134
 None
 1.05A 5kpcB-3n0tA:
undetectable		 5kpcB-3n0tA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nmb PUTATIVE SUGAR
HYDROLASE

(Bacteroides
ovatus) 		PF06439
(DUF1080) 		5 SER A  41
GLY A  75
GLY A  77
ASP A 106
THR A  83
 None
 0.96A 5kpcB-3nmbA:
undetectable		 5kpcB-3nmbA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nnd POSSIBLE SUBSTRATE
BINDING PROTEIN OF
ABC TRANSPORTER
SYSTEM

(Rhodopseudomonas
palustris) 		no annotation 5 LYS B 172
PHE B 171
GLY B 164
GLY B 167
THR B 190
 None
 1.11A 5kpcB-3nndB:
undetectable		 5kpcB-3nndB:
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.
3rre PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01256
(Carb_kinase)
PF03853
(YjeF_N) 		5 GLY A  56
GLY A  54
ASP A 114
VAL A 113
ALA A  23
 None
None
K  A 491 (-3.2A)
None
GOL  A 496 ( 4.0A)
 1.15A 5kpcB-3rreA:
3.6		 5kpcB-3rreA:
22.14
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.
3uat DISKS LARGE HOMOLOG
1

(Rattus
norvegicus) 		PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 GLY A 603
GLY A 638
ASN A 605
ASP A 592
THR A 594
 None
 1.10A 5kpcB-3uatA:
undetectable		 5kpcB-3uatA:
20.64
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		5 SER A 698
GLY A 628
GLY A 594
THR A 467
ALA A 693
 None
 1.15A 5kpcB-3ufkA:
undetectable		 5kpcB-3ufkA:
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.
3vom PUTATIVE
PHOSPHOSERINE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 PHE A  87
GLY A  80
SER A 244
VAL A  61
ALA A 197
 None
None
None
None
PLP  A 401 (-3.4A)
 1.09A 5kpcB-3vomA:
undetectable		 5kpcB-3vomA:
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		5 SER A 100
GLY A 162
GLY A 158
THR A   6
ALA A  97
 None
 1.13A 5kpcB-3wbnA:
undetectable		 5kpcB-3wbnA:
22.90
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.
3wyf GSP1P

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 LYS A 161
PHE A 159
ASP A  93
VAL A  94
THR A  95
 None
 1.07A 5kpcB-3wyfA:
undetectable		 5kpcB-3wyfA:
17.59
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.
3wyf GSP1P

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 LYS A 161
PHE A 159
GLY A 123
VAL A  94
THR A  95
 None
 1.17A 5kpcB-3wyfA:
undetectable		 5kpcB-3wyfA:
17.59
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.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 PHE A 652
GLY A 669
GLY A 707
ASP A 762
ALA A 654
 None
 1.17A 5kpcB-4c4vA:
undetectable		 5kpcB-4c4vA:
20.59
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.
4dyv SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF00106
(adh_short) 		5 GLY A  35
GLY A  37
ASP A  82
VAL A  83
THR A  84
 None
 0.80A 5kpcB-4dyvA:
5.5		 5kpcB-4dyvA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 SER A 205
GLY A 232
GLY A 234
SER A 256
ASP A 281
 SAH  A 501 (-2.7A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.5A)
 0.95A 5kpcB-4ineA:
22.5		 5kpcB-4ineA:
24.80
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.
4itu SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 GLY A  14
GLY A  16
ASP A  64
VAL A  65
THR A  66
 NAI  A 301 (-3.3A)
NAI  A 301 ( 4.6A)
NAI  A 301 (-3.6A)
NAI  A 301 (-3.5A)
NAI  A 301 ( 4.5A)
 0.78A 5kpcB-4ituA:
5.2		 5kpcB-4ituA:
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.
4jxk OXIDOREDUCTASE

(Rhodococcus
opacus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 162
GLY A 159
ASP A 221
VAL A 220
ALA A 129
 None
None
None
None
EDO  A 401 (-3.6A)
 1.17A 5kpcB-4jxkA:
5.1		 5kpcB-4jxkA:
21.38
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.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 PHE A 662
GLY A 655
SER A 769
GLN A 786
ALA A 723
 None
 1.14A 5kpcB-4k3cA:
undetectable		 5kpcB-4k3cA:
23.64
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.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 PHE A 662
GLY A 657
GLY A 655
SER A 769
GLN A 786
 None
 1.04A 5kpcB-4k3cA:
undetectable		 5kpcB-4k3cA:
23.64
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
SER A 128
ASP A 131
VAL A 132
 SAH  A1001 (-3.3A)
SAH  A1001 ( 3.7A)
None
SAH  A1001 (-3.7A)
SAH  A1001 (-3.7A)
 1.12A 5kpcB-4k6mA:
7.3		 5kpcB-4k6mA:
17.42
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		5 SER B 146
GLY B 257
GLY B 259
SER B 242
GLN B 226
 None
PYC  B 904 (-3.7A)
None
None
None
 1.16A 5kpcB-4k7gB:
undetectable		 5kpcB-4k7gB:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 SER A 201
GLY A 228
GLY A 230
SER A 252
ASP A 277
 SAH  A 701 (-2.7A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.4A)
 0.86A 5kpcB-4kriA:
22.6		 5kpcB-4kriA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  11
ASN A  35
ASP A  61
VAL A  62
THR A  63
 None
NAD  A 402 (-3.2A)
NAD  A 402 (-3.1A)
NAD  A 402 (-3.8A)
NAD  A 402 ( 4.7A)
 1.05A 5kpcB-4lisA:
5.2		 5kpcB-4lisA:
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		5 PHE A 652
GLY A 669
GLY A 707
ASP A 762
ALA A 654
 None
 1.15A 5kpcB-4n75A:
undetectable		 5kpcB-4n75A:
21.30
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.
4qed ELXO

(Staphylococcus
epidermidis) 		PF13561
(adh_short_C2) 		5 GLY A  11
SER A  34
ASP A  60
VAL A  61
THR A  62
 None
NAP  A 300 (-2.6A)
NAP  A 300 (-3.3A)
NAP  A 300 (-3.5A)
NAP  A 300 ( 4.1A)
 1.12A 5kpcB-4qedA:
5.3		 5kpcB-4qedA:
21.25
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.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		5 SER A  37
GLY A  63
GLY A  65
ASP A 110
ALA A 128
 SAH  A 302 (-2.5A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.6A)
PC  A 301 ( 3.8A)
 0.51A 5kpcB-4r6wA:
22.9		 5kpcB-4r6wA:
22.20
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.
4y0a SHIKIMATE KINASE

(Acinetobacter
baumannii) 		PF01202
(SKI) 		5 SER A  49
GLY A  25
GLY A  96
THR A 167
ALA A  93
 None
None
SKM  A 201 (-3.1A)
None
None
 1.06A 5kpcB-4y0aA:
undetectable		 5kpcB-4y0aA:
17.24
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.
4yzy EUKARYOTIC
TRANSLATION
INITIATION FACTOR
2-ALPHA KINASE 3

(Mus musculus) 		no annotation 5 SER A 109
GLY A 262
SER A 260
GLN A 242
ALA A 340
 None
 1.16A 5kpcB-4yzyA:
undetectable		 5kpcB-4yzyA:
21.86
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.
4yzz TRAP TRANSPORTER
SOLUTE BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 GLY A 243
GLY A 115
ASN A 154
SER A 246
VAL A 157
 None
 1.16A 5kpcB-4yzzA:
undetectable		 5kpcB-4yzzA:
17.99
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.
4zbt ACETOACETATE
DECARBOXYLASE

(Streptomyces
bingchenggensis) 		PF06314
(ADC) 		5 GLY A  30
GLY A 245
VAL A  28
THR A  27
ALA A 163
 None
 1.14A 5kpcB-4zbtA:
undetectable		 5kpcB-4zbtA:
18.84
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.
5a5u EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Oryctolagus
cuniculus) 		PF00400
(WD40) 		5 GLY I 171
GLY I 175
SER I 215
ASP I 201
ALA I 155
 None
 1.17A 5kpcB-5a5uI:
undetectable		 5kpcB-5a5uI:
22.30
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.
5ax0 RHODOPSIN I

(Acetabularia
acetabulum) 		PF01036
(Bac_rhodopsin) 		5 LYS A 137
PHE A 141
GLY A 126
ASP A  89
ALA A 196
 None
R16  A 308 (-4.8A)
RET  A 301 ( 3.8A)
RET  A 301 ( 4.9A)
None
 1.11A 5kpcB-5ax0A:
undetectable		 5kpcB-5ax0A:
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 131
GLY A  71
ASP A  76
THR A  42
ALA A 164
 None
 1.17A 5kpcB-5by7A:
undetectable		 5kpcB-5by7A:
21.12
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.
5cm2 TRNA
METHYLTRANSFERASE

(Yarrowia
lipolytica) 		PF08241
(Methyltransf_11) 		5 GLY Z  64
GLY Z  66
SER Z  85
ASP Z 105
ALA Z 123
 None
 0.85A 5kpcB-5cm2Z:
12.9		 5kpcB-5cm2Z:
18.04
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
SER A 128
ASP A 131
VAL A 132
 SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
None
SAM  A 301 (-3.4A)
SAM  A 301 (-3.6A)
 0.97A 5kpcB-5e9qA:
7.5		 5kpcB-5e9qA:
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.
5en4 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY A  16
GLY A  18
ASP A  62
VAL A  63
THR A  64
 NAD  A 301 (-3.2A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-3.4A)
NAD  A 301 (-3.7A)
NAD  A 301 ( 4.2A)
 0.70A 5kpcB-5en4A:
undetectable		 5kpcB-5en4A:
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.
5gyl LEGUMIN-LIKE PROTEIN

(Cicer arietinum) 		PF00190
(Cupin_1) 		5 SER A 431
GLY A 327
ASP A 349
VAL A 345
THR A 346
 None
 1.13A 5kpcB-5gylA:
undetectable		 5kpcB-5gylA:
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A  21
GLY A  23
ASP A  71
VAL A  72
THR A  73
 None
 0.77A 5kpcB-5ha5A:
5.2		 5kpcB-5ha5A:
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.
5hv6 PHOSPHOENOLPYRUVATE
SYNTHASE

(Listeria
monocytogenes) 		PF01326
(PPDK_N) 		5 SER A 250
GLY A 216
GLY A 214
SER A 212
VAL A 220
 None
 1.17A 5kpcB-5hv6A:
undetectable		 5kpcB-5hv6A:
26.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
SER A 128
ASP A 131
VAL A 132
 SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
None
MLT  A 313 ( 2.6A)
SAM  A 311 (-3.7A)
 1.00A 5kpcB-5ikmA:
8.3		 5kpcB-5ikmA:
18.69
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.
5iv9 LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Klebsiella
pneumoniae;
Klebsiella
pneumoniae) 		PF03968
(OstA)
PF04453
(OstA_C)
PF04390
(LptE) 		5 PHE B  90
GLY A 710
GLY B  93
ASN A 317
ASP A 314
 None
 1.06A 5kpcB-5iv9B:
undetectable		 5kpcB-5iv9B:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jd5 MGS-MILE3

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 PHE A  95
SER A 125
GLY A 103
GLY A  97
ALA A 105
 None
None
None
OAS  A 169 ( 4.3A)
None
 1.08A 5kpcB-5jd5A:
2.3		 5kpcB-5jd5A:
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
SER A 128
ASP A 131
VAL A 132
 SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
None
SAH  A1003 (-3.0A)
SAH  A1003 (-3.7A)
 1.03A 5kpcB-5jjrA:
7.7		 5kpcB-5jjrA:
17.98
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.
5jnm MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 5 GLY A  17
GLY A  14
VAL A  27
THR A  28
ALA A  88
 None
 0.93A 5kpcB-5jnmA:
3.2		 5kpcB-5jnmA:
22.30
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.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		5 SER A 252
GLY A 191
GLY A 189
ASP A 232
VAL A 231
 SAH  A 401 (-2.6A)
None
SAH  A 401 ( 3.8A)
None
None
 1.00A 5kpcB-5jr3A:
13.1		 5kpcB-5jr3A:
19.18
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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		5 GLY A  13
GLY A  15
ASP A  63
VAL A  64
THR A  65
 NAD  A 301 (-3.4A)
NAD  A 301 ( 4.2A)
NAD  A 301 (-3.8A)
NAD  A 301 (-3.6A)
NAD  A 301 ( 4.1A)
 0.66A 5kpcB-5jy1A:
undetectable		 5kpcB-5jy1A:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		11 LYS A  95
PHE A  96
SER A  97
GLY A 135
GLY A 137
ASN A 159
GLN A 163
ASP A 185
VAL A 186
THR A 187
ALA A 202
 SAH  A 401 ( 4.4A)
None
SAH  A 401 (-2.5A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.9A)
SAH  A 401 (-3.9A)
 0.36A 5kpcB-5kpgA:
51.2		 5kpcB-5kpgA:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kpg PAVINE
N-METHYLTRANSFERASE

(Thalictrum
flavum) 		PF02353
(CMAS) 		9 LYS A  95
PHE A  96
SER A  97
GLY A 135
GLY A 137
ASN A 159
SER A 160
GLN A 163
VAL A 186
 SAH  A 401 ( 4.4A)
None
SAH  A 401 (-2.5A)
SAH  A 401 (-3.7A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.4A)
None
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
 0.59A 5kpcB-5kpgA:
51.2		 5kpcB-5kpgA:
99.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mj7 UNCHARACTERIZED
PROTEIN

(Caenorhabditis
elegans) 		PF01156
(IU_nuc_hydro) 		5 SER A 237
GLY A  91
GLY A  88
SER A  84
ASP A  13
 None
None
None
None
CA  A 401 (-3.0A)
 1.06A 5kpcB-5mj7A:
2.4		 5kpcB-5mj7A:
24.65
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.
5myu TYPE VI SECRETION
SYSTEM PROTEIN IMPC

(Vibrio cholerae) 		PF05943
(VipB) 		5 PHE A 102
GLY A 275
GLY A  98
THR A 327
ALA A 278
 None
 1.11A 5kpcB-5myuA:
undetectable		 5kpcB-5myuA:
21.37
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.
5nju GENOME POLYPROTEIN

(Zika virus) 		no annotation 5 GLY A  81
GLY A  83
SER A 128
ASP A 131
VAL A 132
 SAH  A1001 (-3.4A)
SAH  A1001 (-3.4A)
None
SAH  A1001 (-3.9A)
SAH  A1001 (-3.6A)
 1.00A 5kpcB-5njuA:
7.4		 5kpcB-5njuA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 GLY A  81
GLY A  83
SER A 128
ASP A 131
VAL A 132
 SAH  A1001 (-3.4A)
SAH  A1001 ( 3.8A)
None
SAH  A1001 (-4.0A)
SAH  A1001 (-4.0A)
 1.06A 5kpcB-5tmhA:
7.9		 5kpcB-5tmhA:
17.45
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.
5tuk TETRACYCLINE
DESTRUCTASE TET(51)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		5 SER A 302
GLY A  16
GLY A  13
VAL A   9
ALA A 305
 FAD  A 402 (-3.4A)
None
FAD  A 402 (-3.2A)
None
FAD  A 402 ( 3.5A)
 1.10A 5kpcB-5tukA:
undetectable		 5kpcB-5tukA:
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.
5ubu PUTATIVE
ACETAMIDASE/FORMAMID
ASE

(Yersinia
enterocolitica) 		PF03069
(FmdA_AmdA) 		5 SER A 236
GLY A 168
GLY A 216
GLN A  84
ASP A 313
 None
NA  A 401 ( 4.5A)
None
None
NA  A 401 ( 4.4A)
 1.02A 5kpcB-5ubuA:
undetectable		 5kpcB-5ubuA:
22.53
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 5 GLY A 109
GLY A  83
ASP A 158
VAL A 159
ALA A  74
 None
 1.11A 5kpcB-5wmmA:
12.9		 5kpcB-5wmmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A 107
VAL A 108
THR A 109
 SAH  A 701 (-3.4A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.2A)
SAH  A 701 (-3.6A)
SAH  A 701 ( 4.6A)
 0.64A 5kpcB-5wp4A:
22.8		 5kpcB-5wp4A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 SER A 264
GLY A 290
GLY A 292
SER A 314
ASP A 338
THR A 340
 SAH  A 703 (-2.6A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.3A)
SAH  A 703 ( 4.3A)
 0.91A 5kpcB-5wp4A:
22.8		 5kpcB-5wp4A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A  61
GLY A  63
ASP A 107
VAL A 108
THR A 109
 SAH  A 502 (-3.4A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.2A)
SAH  A 502 (-3.6A)
SAH  A 502 ( 4.8A)
 0.68A 5kpcB-5wp5A:
21.9		 5kpcB-5wp5A:
21.37
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 6 SER A 264
GLY A 290
GLY A 292
SER A 314
ASP A 338
THR A 340
 SAH  A 501 (-2.6A)
SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-3.4A)
SAH  A 501 ( 4.5A)
 0.88A 5kpcB-5wp5A:
21.9		 5kpcB-5wp5A:
21.37
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.
5xtg 2,3-DIHYDROXY-2,3-DI
HYDROPHENYLPROPIONAT
E DEHYDROGENASE

(Pseudomonas sp.
MC1) 		PF13561
(adh_short_C2) 		5 GLY B  11
GLY B  13
GLN B  40
ASP B  58
VAL B  59
 NAD  B 301 (-3.4A)
NAD  B 301 ( 3.9A)
NAD  B 301 (-3.2A)
NAD  B 301 (-2.3A)
NAD  B 301 (-3.9A)
 0.84A 5kpcB-5xtgB:
5.6		 5kpcB-5xtgB:
23.80
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Escherichia
coli) 		no annotation 5 SER A 138
GLY A 175
GLY A 177
SER A 199
GLN A 202
 CO3  A 401 (-4.5A)
None
None
None
None
 0.85A 5kpcB-6bqcA:
28.7		 5kpcB-6bqcA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 9 LYS A  97
SER A  99
GLY A 137
GLY A 139
ASN A 161
SER A 162
GLN A 165
ASP A 187
THR A 189
 SAH  A 501 ( 4.5A)
SAH  A 501 (-2.4A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
SAH  A 501 (-3.6A)
None
SAH  A 501 (-2.7A)
SAH  A 501 (-4.2A)
None
 0.81A 5kpcB-6gkvA:
45.8		 5kpcB-6gkvA:
undetectable