SIMILAR PATTERNS OF AMINO ACIDS FOR 4L7I_B_SAMB501

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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		5 ASN A 222
ARG A 220
ASP A 258
LEU A 241
ILE A 306
 None
 1.10A 4l7iA-1c4kA:
0.0		 4l7iA-1c4kA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c6v PROTEIN (SIV
INTEGRASE)

(Simian
immunodeficiency
virus) 		PF00665
(rve) 		4 HIS A 156
ASN A 160
ASP A 163
ILE A 162
 None
 1.05A 4l7iA-1c6vA:
0.0		 4l7iA-1c6vA:
18.56
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.
1dbv GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 ASN O 152
LEU O 324
ASN O 146
ILE O 144
 None
 1.04A 4l7iA-1dbvO:
0.0		 4l7iA-1dbvO:
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.
1f02 INTIMIN
TRANSLOCATED INTIMIN
RECEPTOR

(Escherichia
coli;
Escherichia
coli) 		PF02368
(Big_2)
PF02369
(Big_1)
PF07979
(Intimin_C)
PF03549
(Tir_receptor_M) 		4 ASP T 302
ASN I 921
ASP I 916
ILE I 897
 None
 1.07A 4l7iA-1f02T:
undetectable		 4l7iA-1f02T:
10.47
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		4 ASN A  78
ARG A 281
ASP A 102
ILE A  83
 None
 0.77A 4l7iA-1fohA:
0.0		 4l7iA-1fohA:
21.74
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.
1g2p ADENINE
PHOSPHORIBOSYLTRANSF
ERASE 1

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 HIS A  50
LEU A  51
ASN A 156
ILE A  63
 None
 1.00A 4l7iA-1g2pA:
0.0		 4l7iA-1g2pA:
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		4 ASN A 409
ARG A 445
ASN A 336
ILE A 216
 None
 1.03A 4l7iA-1h3gA:
0.0		 4l7iA-1h3gA:
22.08
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.
1iho PANTOATE--BETA-ALANI
NE LIGASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		4 ARG A  73
ASP A  78
LEU A  75
ILE A   3
 None
 1.02A 4l7iA-1ihoA:
0.0		 4l7iA-1ihoA:
22.60
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.
1js4 ENDO/EXOCELLULASE E4

(Thermobifida
fusca) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 LEU A 178
ASN A 101
ASP A 102
ILE A 105
 None
 1.06A 4l7iA-1js4A:
0.0		 4l7iA-1js4A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ny1 PROBABLE
POLYSACCHARIDE
DEACETYLASE PDAA

(Bacillus
subtilis) 		PF01522
(Polysacc_deac_1) 		4 ASP A 251
ASN A 159
ASP A 158
ILE A 120
 None
 0.95A 4l7iA-1ny1A:
undetectable		 4l7iA-1ny1A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tj5 SUCROSE-PHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF05116
(S6PP) 		4 ARG A  43
ASP A 190
ASP A 155
ILE A 147
 SUC  A 245 (-4.9A)
MG  A 247 (-2.9A)
SUC  A 245 (-2.8A)
None
 1.06A 4l7iA-1tj5A:
undetectable		 4l7iA-1tj5A:
22.62
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.
1z6y ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
5

(Homo sapiens) 		PF00025
(Arf) 		4 HIS A 150
ASP A 114
LEU A 115
ILE A  20
 None
 1.02A 4l7iA-1z6yA:
undetectable		 4l7iA-1z6yA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zup HYPOTHETICAL PROTEIN
TM1739

(Thermotoga
maritima) 		PF09376
(NurA) 		4 ARG A 232
ASP A 157
LEU A 175
ILE A 273
 None
 1.06A 4l7iA-1zupA:
undetectable		 4l7iA-1zupA:
24.12
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.
2bz0 GTP CYCLOHYDROLASE
II

(Escherichia
coli) 		PF00925
(GTP_cyclohydro2) 		4 HIS A  89
ASN A  95
ASP A 135
LEU A 132
 None
 1.04A 4l7iA-2bz0A:
undetectable		 4l7iA-2bz0A:
20.76
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		4 HIS A  16
ASP A 190
LEU A 186
ASP A 151
 None
 1.04A 4l7iA-2c3oA:
undetectable		 4l7iA-2c3oA:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ep7 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Aquifex
aeolicus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 ASN A 155
LEU A 333
ASN A 149
ILE A 147
 None
 1.00A 4l7iA-2ep7A:
undetectable		 4l7iA-2ep7A:
23.60
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.
2jtc STREPTOPAIN

(Streptococcus
pyogenes) 		PF01640
(Peptidase_C10) 		4 ASP A 175
LEU A 178
ASP A 200
ILE A 199
 None
 1.06A 4l7iA-2jtcA:
undetectable		 4l7iA-2jtcA:
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.
2nq3 ITCHY HOMOLOG E3
UBIQUITIN PROTEIN
LIGASE

(Homo sapiens) 		PF00168
(C2) 		4 HIS A  80
ASP A  48
ASP A 101
ILE A 102
 None
 1.06A 4l7iA-2nq3A:
undetectable		 4l7iA-2nq3A:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		4 HIS A 859
ASP A 942
LEU A 938
ILE A 565
 None
 1.06A 4l7iA-2qmaA:
undetectable		 4l7iA-2qmaA:
21.74
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.
2tmk THYMIDYLATE KINASE

(Saccharomyces
cerevisiae) 		PF02223
(Thymidylate_kin) 		4 ASN A  32
LEU A 204
ASN A  89
ILE A   8
 None
 0.98A 4l7iA-2tmkA:
undetectable		 4l7iA-2tmkA:
22.55
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.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 ASN A1001
ARG A1132
ASN A1141
ILE A1140
 None
 0.88A 4l7iA-2vxrA:
undetectable		 4l7iA-2vxrA:
22.05
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 ASN A 328
ASP A 301
ASN A 356
ILE A 322
 None
 0.98A 4l7iA-2vz9A:
undetectable		 4l7iA-2vz9A:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 HIS A  12
ASP A   5
LEU A   8
ASP A  26
 None
 0.96A 4l7iA-2xr1A:
undetectable		 4l7iA-2xr1A:
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.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		4 ASN A 122
ARG A 121
ASN A 153
ILE A 151
 None
 0.96A 4l7iA-3a9gA:
undetectable		 4l7iA-3a9gA:
24.77
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		4 HIS A 155
ARG A  98
ASN A 125
ILE A 152
 IPE  A 701 ( 3.4A)
IPE  A 701 (-3.9A)
FNR  A 669 (-3.0A)
None
 1.01A 4l7iA-3b05A:
undetectable		 4l7iA-3b05A:
23.50
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 ASN X 237
ASP X  86
ASN X 210
ILE X 209
 BGC  X 501 (-3.8A)
None
BGC  X 501 (-3.2A)
None
 0.87A 4l7iA-3b8aX:
undetectable		 4l7iA-3b8aX:
22.37
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.
3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I

(Bacillus
anthracis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ASN A  62
ARG A  61
ASP A   9
ILE A 135
 None
COA  A 445 (-2.9A)
FAD  A 446 ( 3.5A)
None
 1.07A 4l7iA-3cgdA:
undetectable		 4l7iA-3cgdA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 HIS A 576
ASN A 147
ASP A 579
LEU A 578
ILE A 525
 ZN  A 758 (-3.2A)
GOL  A 766 ( 3.7A)
None
None
None
 1.44A 4l7iA-3eqnA:
undetectable		 4l7iA-3eqnA:
19.61
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.
3ewk SENSOR PROTEIN

(Methylococcus
capsulatus) 		PF13426
(PAS_9) 		4 ASN A 286
ARG A 288
LEU A 238
ILE A 231
 None
 1.01A 4l7iA-3ewkA:
undetectable		 4l7iA-3ewkA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6i PUTATIVE OUTER
MEMBRANE PROTEIN,
PART OF CARBOHYDRATE
BINDING COMPLEX

(Bacteroides
thetaiotaomicron) 		PF12875
(DUF3826) 		4 HIS A 112
ASP A 105
LEU A 108
ILE A  72
 None
 1.08A 4l7iA-3g6iA:
undetectable		 4l7iA-3g6iA:
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4)
PF00346
(Complex1_49kDa)
PF00329
(Complex1_30kDa) 		4 HIS 4 336
ASP 5 178
LEU 5 174
ASP 3 132
 None
 1.04A 4l7iA-3i9v4:
undetectable		 4l7iA-3i9v4:
23.27
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.
3k4w UNCHARACTERIZED
PROTEIN BB4693

(Bordetella
bronchiseptica) 		PF04909
(Amidohydro_2) 		4 ASN A  68
ARG A  67
ASN A  77
ILE A 117
 None
 1.04A 4l7iA-3k4wA:
undetectable		 4l7iA-3k4wA:
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.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		5 HIS A  80
ASN A  76
LEU A  83
ASP A  99
ILE A  97
 None
 1.49A 4l7iA-3l6dA:
undetectable		 4l7iA-3l6dA:
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.
3lae UPF0053 PROTEIN
HI0107

(Haemophilus
influenzae) 		PF03471
(CorC_HlyC) 		4 ASN A  20
ARG A  17
ASP A  56
ILE A  55
 None
PO4  A  79 (-4.0A)
None
None
 0.96A 4l7iA-3laeA:
undetectable		 4l7iA-3laeA:
14.37
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.
3mpp BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 ASN G1001
ARG G1132
ASN G1141
ILE G1140
 None
 0.84A 4l7iA-3mppG:
undetectable		 4l7iA-3mppG:
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.
3mue PANTOTHENATE
SYNTHETASE

(Salmonella
enterica) 		PF02569
(Pantoate_ligase) 		4 ARG A  73
ASP A  78
LEU A  75
ILE A   3
 None
 0.99A 4l7iA-3mueA:
undetectable		 4l7iA-3mueA:
23.43
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.
3n2x UNCHARACTERIZED
PROTEIN YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 HIS A  78
ASP A  42
ASP A  32
ILE A  24
 None
 0.92A 4l7iA-3n2xA:
undetectable		 4l7iA-3n2xA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 HIS A 282
ASN A 241
ASN A 286
ILE A 288
 None
 0.91A 4l7iA-3nqxA:
undetectable		 4l7iA-3nqxA:
23.92
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.
3poh ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1

(Bacteroides
thetaiotaomicron) 		PF08522
(DUF1735) 		4 LEU A  77
ASN A  46
ASP A 162
ILE A 163
 None
 0.93A 4l7iA-3pohA:
undetectable		 4l7iA-3pohA:
23.39
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		4 ASP A  45
ASN A 427
ASP A 469
ILE A 468
 None
 0.95A 4l7iA-3tsyA:
undetectable		 4l7iA-3tsyA:
19.94
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		4 ASN A 381
ASP A 390
ASN A 350
ASP A 351
 None
 1.02A 4l7iA-3u7vA:
undetectable		 4l7iA-3u7vA:
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 ASN A 868
ASP A 109
ASN A 870
ASP A 873
 None
 1.03A 4l7iA-3ujzA:
undetectable		 4l7iA-3ujzA:
18.87
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.
3uma HYPOTHETICAL
PEROXIREDOXIN
PROTEIN

(Sinorhizobium
meliloti) 		PF08534
(Redoxin) 		4 ASP A  62
LEU A  65
ASP A  71
ILE A  72
 None
 0.93A 4l7iA-3umaA:
undetectable		 4l7iA-3umaA:
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		4 ASN A  87
ARG A  91
ASN A  83
ILE A  82
 None
 0.84A 4l7iA-3zizA:
undetectable		 4l7iA-3zizA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuv DESIGNED ANKYRIN
REPEAT PROTEIN

(synthetic
construct) 		PF13857
(Ank_5) 		4 ARG B  23
ASP B  46
LEU B  48
ILE B  81
 None
 0.98A 4l7iA-3zuvB:
undetectable		 4l7iA-3zuvB:
18.56
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.
4a26 PUTATIVE
C-1-TETRAHYDROFOLATE
SYNTHASE,
CYTOPLASMIC

(Leishmania
major) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 ASN A 110
ASP A 123
LEU A 125
ILE A 174
 None
 1.05A 4l7iA-4a26A:
undetectable		 4l7iA-4a26A:
23.02
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 ASN A 383
ARG A 388
LEU A 381
ASN A 369
ASP A 367
 None
 1.33A 4l7iA-4a2lA:
undetectable		 4l7iA-4a2lA:
20.60
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ASN A 259
ASN A 253
ASP A 254
ILE A  33
 None
 0.91A 4l7iA-4bedA:
undetectable		 4l7iA-4bedA:
13.68
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.
4bgv MALATE DEHYDROGENASE

(Picrophilus
torridus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASN A 323
ASP A  96
LEU A  99
ASP A 318
ILE A 315
 None
 1.36A 4l7iA-4bgvA:
undetectable		 4l7iA-4bgvA:
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.
4bwi PHYTOCHROME-LIKE
PROTEIN CPH2

(Synechocystis
sp.) 		PF00360
(PHY)
PF01590
(GAF) 		4 ASN A  90
ARG A  92
LEU A 153
ILE A  80
 GLU  A1427 (-3.2A)
None
GLU  A1427 ( 4.9A)
CYC  A1422 (-4.0A)
 1.09A 4l7iA-4bwiA:
undetectable		 4l7iA-4bwiA:
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.
4bwy P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		4 HIS A 239
ASP A 265
LEU A 262
ILE A 260
 None
 0.92A 4l7iA-4bwyA:
undetectable		 4l7iA-4bwyA:
23.04
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		4 ASP A  39
LEU A  66
ASN A  96
ILE A  93
 None
 1.09A 4l7iA-4bx9A:
undetectable		 4l7iA-4bx9A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		4 ASN A 670
ARG A 819
LEU A 720
ASP A 726
 None
 1.08A 4l7iA-4ft2A:
undetectable		 4l7iA-4ft2A:
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.
4ged ASCORBATE PEROXIDASE

(Leishmania
major) 		PF00141
(peroxidase) 		4 HIS A  68
ASN A  98
ASP A 163
ASP A 158
 None
 1.07A 4l7iA-4gedA:
undetectable		 4l7iA-4gedA:
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.
4gib BETA-PHOSPHOGLUCOMUT
ASE

(Clostridioides
difficile) 		PF13419
(HAD_2) 		4 ASN A  78
ASP A 138
ASN A 119
ILE A 121
 None
None
PO4  A 304 (-3.8A)
None
 1.06A 4l7iA-4gibA:
undetectable		 4l7iA-4gibA:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hpv S-ADENOSYLMETHIONINE
SYNTHASE

(Sulfolobus
solfataricus) 		PF01941
(AdoMet_Synthase) 		4 ASN A  60
ASN A 159
ASP A 160
ILE A 349
 None
 0.81A 4l7iA-4hpvA:
63.6		 4l7iA-4hpvA:
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.
4jso OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		4 ASN A 270
ASP A 466
ASP A 498
ILE A 494
 None
 0.91A 4l7iA-4jsoA:
undetectable		 4l7iA-4jsoA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 HIS A   6
ASP A  26
ASP A  61
ILE A  60
 None
 0.87A 4l7iA-4kcaA:
undetectable		 4l7iA-4kcaA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 ASN B 349
ARG B 244
ASN B 353
ASP B 360
 None
 1.03A 4l7iA-4l37B:
undetectable		 4l7iA-4l37B:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		4 HIS A  62
ARG A  95
ASP A 162
ASN A 312
 None
 1.01A 4l7iA-4l4qA:
55.8		 4l7iA-4l4qA:
51.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx8 PROTEIN-TYROSINE
PHOSPHATASE 2

(Bdellovibrio
bacteriovorus) 		PF14566
(PTPlike_phytase) 		4 ARG A 137
ASP A 146
LEU A 142
ILE A 108
 None
 1.07A 4l7iA-4nx8A:
undetectable		 4l7iA-4nx8A:
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ARG A 892
ASN A 853
ASP A 852
ILE A 851
 None
 0.95A 4l7iA-4o9xA:
undetectable		 4l7iA-4o9xA:
11.38
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.
4p1b TOLUENE-4-MONOOXYGEN
ASE SYSTEM
FERREDOXIN SUBUNIT

(Pseudomonas
mendocina) 		PF00355
(Rieske) 		4 ASP H  96
LEU H   9
ASN H  32
ILE H  98
 None
 1.07A 4l7iA-4p1bH:
undetectable		 4l7iA-4p1bH:
14.88
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ASP A 218
LEU A 217
ASN A 212
ILE A 335
 None
 1.08A 4l7iA-4phcA:
undetectable		 4l7iA-4phcA:
23.76
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.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ASN B1054
ASP B1040
LEU B1160
ILE B1144
 None
 1.00A 4l7iA-4plbB:
undetectable		 4l7iA-4plbB:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 4 ARG H 390
LEU H 430
ASN H 386
ILE H 503
 None
 0.75A 4l7iA-4qfkH:
undetectable		 4l7iA-4qfkH:
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		4 HIS A 146
ARG A 173
LEU A 147
ILE A  11
 None
 0.91A 4l7iA-4qnxA:
undetectable		 4l7iA-4qnxA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qr8 XAA-PRO DIPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		4 ASN A 435
ASP A 279
LEU A 282
ILE A 422
 None
 1.08A 4l7iA-4qr8A:
undetectable		 4l7iA-4qr8A:
22.15
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.
4r3a BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2

(Erythrobacter
litoralis) 		PF07568
(HisKA_2)
PF13426
(PAS_9)
PF13581
(HATPase_c_2) 		4 HIS A 147
ARG A 175
LEU A 148
ILE A 117
 None
ANP  A 401 (-3.6A)
None
None
 1.06A 4l7iA-4r3aA:
undetectable		 4l7iA-4r3aA:
23.56
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.
4rk0 LACI FAMILY
SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR

(Enterococcus
faecalis) 		PF13377
(Peripla_BP_3) 		4 ASN A  81
LEU A 224
ASN A 248
ILE A 247
 RIB  A 401 (-3.3A)
None
RIB  A 401 (-3.8A)
None
 0.94A 4l7iA-4rk0A:
undetectable		 4l7iA-4rk0A:
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		4 HIS A 677
ARG A 676
ASP A 652
LEU A 648
 None
 0.92A 4l7iA-4u7tA:
undetectable		 4l7iA-4u7tA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)

(Agrobacterium
fabrum) 		PF00496
(SBP_bac_5) 		4 ARG A  32
LEU A 518
ASP A 256
ILE A 257
 SO4  A 601 (-4.1A)
None
None
None
 1.08A 4l7iA-4ze8A:
undetectable		 4l7iA-4ze8A:
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.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		4 ASN A 172
ASP A 117
LEU A 120
ILE A 105
 None
CD  A 706 ( 2.4A)
None
None
 1.08A 4l7iA-4zxlA:
undetectable		 4l7iA-4zxlA:
23.61
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 ASN A 744
ASP A 764
ASN A 602
ILE A 604
 None
 0.80A 4l7iA-5a22A:
undetectable		 4l7iA-5a22A:
11.94
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.
5a4j FORMATE--TETRAHYDROF
OLATE LIGASE

(Tepidanaerobacter
acetatoxydans) 		PF01268
(FTHFS) 		4 HIS A 365
ASN A 361
ARG A 505
ASN A  65
 None
 1.02A 4l7iA-5a4jA:
undetectable		 4l7iA-5a4jA:
25.47
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT DELTA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 HIS G 276
LEU G 313
ASN G 281
ASP G 282
ILE G 285
 None
 1.30A 4l7iA-5b04G:
undetectable		 4l7iA-5b04G:
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.
5cdn DNA GYRASE SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		4 ASN A  54
ASP A  40
LEU A 160
ILE A 144
 ASN  A  54 ( 0.6A)
ASP  A  40 ( 0.5A)
LEU  A 160 ( 0.6A)
ILE  A 144 ( 0.4A)
 0.99A 4l7iA-5cdnA:
undetectable		 4l7iA-5cdnA:
23.85
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.
5d7w SERRALYSIN

(Serratia
marcescens) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 ASN A 226
ARG A 209
ASP A 238
LEU A 235
 ASN  A 226 ( 0.6A)
ARG  A 209 ( 0.6A)
ASP  A 238 ( 0.5A)
LEU  A 235 ( 0.6A)
 1.07A 4l7iA-5d7wA:
undetectable		 4l7iA-5d7wA:
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 ASN A1003
ARG A1000
ASP A 969
ILE A 941
 None
 1.02A 4l7iA-5eawA:
undetectable		 4l7iA-5eawA:
17.77
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 ARG A 296
LEU A 256
ASN A 300
ILE A 281
 None
 1.09A 4l7iA-5gmhA:
undetectable		 4l7iA-5gmhA:
18.51
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.
5gnd PUTATIVE SERINE
PROTEASE HHOA

(Synechocystis
sp. PCC 6803) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 ASN A 193
ARG A 141
LEU A 140
ILE A 164
 None
 1.07A 4l7iA-5gndA:
undetectable		 4l7iA-5gndA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1s 50S RIBOSOMAL
PROTEIN L13,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00572
(Ribosomal_L13) 		4 HIS L 134
ARG L 242
ASP L 238
ILE L 237
 None
 0.91A 4l7iA-5h1sL:
undetectable		 4l7iA-5h1sL:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 4 ASN B 188
ASP B 214
ASN B 210
ILE B 294
 None
 1.06A 4l7iA-5i70B:
undetectable		 4l7iA-5i70B:
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.
5ir2 CELLULASE

(Parabacteroides
johnsonii) 		PF03737
(RraA-like) 		4 HIS A 109
ASP A  34
ASP A 193
ILE A 194
 None
 0.76A 4l7iA-5ir2A:
undetectable		 4l7iA-5ir2A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		4 ARG A1133
ASP A1138
LEU A1134
ASP A1165
 None
 1.04A 4l7iA-5jbeA:
undetectable		 4l7iA-5jbeA:
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.
5jod PROPLASMEPSIN IV

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 ASN A 188
ASP A 214
ASN A 210
ILE A 294
 None
 1.02A 4l7iA-5jodA:
undetectable		 4l7iA-5jodA:
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		4 ASP A 980
ASN A 937
ASP A 974
ILE A 938
 None
 0.91A 4l7iA-5kdsA:
undetectable		 4l7iA-5kdsA:
21.27
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.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		4 ARG A 341
ASP A 285
LEU A 342
ILE A 276
 None
 0.93A 4l7iA-5kyoA:
undetectable		 4l7iA-5kyoA:
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.
5l5n PLEXIN-A4

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 ASN A 792
LEU A 721
ASN A 796
ILE A 709
 ASN  A 792 ( 0.6A)
LEU  A 721 ( 0.6A)
ASN  A 796 ( 0.6A)
ILE  A 709 ( 0.6A)
 0.89A 4l7iA-5l5nA:
undetectable		 4l7iA-5l5nA:
16.82
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 HIS B 280
ARG B 284
LEU B 655
ILE B 712
 None
 1.08A 4l7iA-5ldrB:
undetectable		 4l7iA-5ldrB:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t8u LIPOATE-PROTEIN
LIGASE 1

(Plasmodium
falciparum) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		4 ASN A 218
LEU A 214
ASN A 213
ILE A 212
 None
 1.01A 4l7iA-5t8uA:
undetectable		 4l7iA-5t8uA:
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.
5vk2 PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX
PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Lassa
mammarenavirus;
Lassa
mammarenavirus) 		PF00798
(Arena_glycoprot)
PF00798
(Arena_glycoprot) 		4 ARG A 248
ASN a 342
ASP a 347
ILE a 345
 None
 0.99A 4l7iA-5vk2A:
undetectable		 4l7iA-5vk2A:
21.13
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 ASN A 188
ARG A 154
LEU A 157
ILE A 369
 None
 0.95A 4l7iA-5w81A:
undetectable		 4l7iA-5w81A:
14.74
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 4 ASN A   9
LEU A   7
ASN A 361
ILE A 366
 None
 1.06A 4l7iA-5wt4A:
undetectable		 4l7iA-5wt4A:
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.
5xks THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Geobacillus sp.
12AMOR1) 		no annotation 5 ARG A 220
ASP A 233
LEU A 221
ASN A 120
ILE A 119
 None
 1.46A 4l7iA-5xksA:
undetectable		 4l7iA-5xksA:
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		4 ARG A 218
LEU A 165
ASN A 237
ILE A 234
 None
 1.04A 4l7iA-5xn8A:
undetectable		 4l7iA-5xn8A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 4 HIS A 565
ASN A 902
ASP A 642
ILE A 649
 None
RAM  A1003 ( 4.1A)
None
None
 0.83A 4l7iA-5xqoA:
undetectable		 4l7iA-5xqoA:
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.
5ybb RESTRICTION
ENDONUCLEASE S
SUBUNITS

(Caldanaerobacter
subterraneus) 		no annotation 4 ASN D 110
ARG D 111
LEU D 119
ILE D 155
 None
 1.08A 4l7iA-5ybbD:
undetectable		 4l7iA-5ybbD:
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.
6es4 SYNCRIP, ISOFORM K

(Drosophila
melanogaster) 		no annotation 4 ASN A 204
ARG A 146
LEU A 180
ILE A 230
 None
 1.09A 4l7iA-6es4A:
undetectable		 4l7iA-6es4A:
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.
6f9c GLYCOPROTEIN

(Rift Valley
fever
phlebovirus) 		no annotation 4 ASP A 370
LEU A 368
ASN A 366
ILE A 442
 None
 0.87A 4l7iA-6f9cA:
undetectable		 4l7iA-6f9cA:
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.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		4 ASP A  55
LYS A  14
ALA A  53
SER A  33
 None
 1.07A 4l7iB-1a88A:
undetectable		 4l7iB-1a88A:
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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 255
ALA A 226
TYR A 257
SER A 323
 None
 1.07A 4l7iB-1asoA:
undetectable		 4l7iB-1asoA:
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.
1bqg D-GLUCARATE
DEHYDRATASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 321
PRO A 320
ASP A 319
SER A 344
 None
 1.04A 4l7iB-1bqgA:
undetectable		 4l7iB-1bqgA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dct PROTEIN
(MODIFICATION
METHYLASE HAEIII)

(Haemophilus
influenzae) 		PF00145
(DNA_methylase) 		4 ASP A  14
ALA A  44
TYR A  38
SER A   8
 None
 1.05A 4l7iB-1dctA:
undetectable		 4l7iB-1dctA:
23.68
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.
1iip CYCLOPHILIN 40

(Bos taurus) 		PF00160
(Pro_isomerase)
PF13176
(TPR_7) 		4 PRO A 194
ASP A 196
SER A 198
ASP A 200
 None
 1.03A 4l7iB-1iipA:
undetectable		 4l7iB-1iipA:
22.77
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.
1iqr PHOTOLYASE

(Thermus
thermophilus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 PRO A 122
ALA A 227
SER A 222
ASP A  16
 None
 0.88A 4l7iB-1iqrA:
undetectable		 4l7iB-1iqrA:
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.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 HIS A 315
PRO A 314
ASP A 313
SER A 338
 None
 1.04A 4l7iB-1jctA:
undetectable		 4l7iB-1jctA:
24.45
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PRO A  99
ASP A 106
ALA A 206
SER A 147
 None
 1.02A 4l7iB-1m53A:
undetectable		 4l7iB-1m53A:
21.10
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.
1sml PROTEIN
(PENICILLINASE)

(Stenotrophomonas
maltophilia) 		PF00753
(Lactamase_B) 		4 HIS A  89
ASP A  53
TYR A 182
SER A  83
 ZN  A 270 (-3.2A)
None
None
None
 1.06A 4l7iB-1smlA:
undetectable		 4l7iB-1smlA:
19.34
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		4 HIS A 171
ASP A 170
ALA A 224
TYR A 211
 None
 1.04A 4l7iB-1szqA:
undetectable		 4l7iB-1szqA:
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.
1wlh GELATION FACTOR

(Dictyostelium
discoideum) 		PF00630
(Filamin) 		4 ASP A 689
ALA A 676
TYR A 715
ASP A 686
 None
 1.03A 4l7iB-1wlhA:
undetectable		 4l7iB-1wlhA:
24.71
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.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  14
PRO A  15
ASP A 163
LYS A 165
ASP A 238
 None
 0.48A 4l7iB-1xrcA:
27.1		 4l7iB-1xrcA:
25.37
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.
1y7e PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Borreliella
burgdorferi) 		PF02127
(Peptidase_M18) 		5 HIS A  95
ASP A  97
LYS A 285
TYR A 122
ASP A 255
 None
 1.27A 4l7iB-1y7eA:
undetectable		 4l7iB-1y7eA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yix DEOXYRIBONUCLEASE
YCFH

(Escherichia
coli) 		PF01026
(TatD_DNase) 		4 HIS A 214
PRO A 213
ASP A 226
ALA A 222
 None
 0.96A 4l7iB-1yixA:
undetectable		 4l7iB-1yixA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		4 HIS A 122
PRO A 123
ALA A 333
SER A 118
 None
 0.74A 4l7iB-1zy9A:
undetectable		 4l7iB-1zy9A:
23.34
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		5 HIS A 106
PRO A 174
ASP A 387
SER A 175
ASP A 208
 VO4  A 801 (-3.8A)
VO4  A 801 (-4.1A)
UNX  A 601 ( 2.6A)
UNX  A 601 ( 1.8A)
VO4  A 801 (-2.6A)
 1.44A 4l7iB-2d1gA:
undetectable		 4l7iB-2d1gA:
22.11
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.
2e66 DIVALENT-CATION
TOLERANCE PROTEIN
CUTA

(Pyrococcus
horikoshii) 		PF03091
(CutA1) 		4 HIS A  73
PRO A  74
ALA A  53
SER A  13
 None
 0.86A 4l7iB-2e66A:
undetectable		 4l7iB-2e66A:
14.46
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.
2gmn METALLO-BETA-LACTAMA
SE

(Bradyrhizobium
diazoefficiens) 		PF00753
(Lactamase_B) 		4 HIS A 242
PRO A 241
ALA A 206
SER A 202
 ZN  A 802 (-3.2A)
None
None
None
 1.07A 4l7iB-2gmnA:
undetectable		 4l7iB-2gmnA:
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.
2j3s FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 HIS A2315
PRO A2320
LYS A2310
ALA A2272
 None
 0.95A 4l7iB-2j3sA:
undetectable		 4l7iB-2j3sA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o0m TRANSCRIPTIONAL
REGULATOR, SORC
FAMILY

(Enterococcus
faecalis) 		PF04198
(Sugar-bind) 		4 ASP A 332
ALA A 307
SER A 117
ASP A 118
 None
 0.97A 4l7iB-2o0mA:
undetectable		 4l7iB-2o0mA:
24.71
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.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  29
PRO A  30
ASP A 179
LYS A 181
ASP A 258
 SAM  A 501 (-3.6A)
SAM  A 501 (-4.2A)
SAM  A 501 (-2.7A)
SAM  A 501 (-3.9A)
SAM  A 501 (-3.6A)
 0.32A 4l7iB-2obvA:
26.5		 4l7iB-2obvA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q17 FORMYLGLYCINE
GENERATING ENZYME

(Streptomyces
coelicolor) 		PF03781
(FGE-sulfatase) 		4 HIS A 255
ASP A 239
ALA A 164
SER A 238
 None
 0.89A 4l7iB-2q17A:
undetectable		 4l7iB-2q17A:
19.82
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.
2w0p FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 HIS A2315
PRO A2320
LYS A2310
ALA A2272
 None
 0.96A 4l7iB-2w0pA:
undetectable		 4l7iB-2w0pA:
12.53
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.
2xy4 ZINC ABC
TRANSPORTER,
PERIPLASMIC
ZINC-BINDING PROTEIN

(Salmonella
enterica) 		PF01297
(ZnuA) 		4 PRO A 261
ALA A 213
TYR A 214
ASP A 283
 None
ZN  A 401 ( 4.7A)
None
None
 0.98A 4l7iB-2xy4A:
undetectable		 4l7iB-2xy4A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxh CENTRAL GLYCOLYTIC
GENE REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		4 ASP A 329
ALA A 305
SER A 117
ASP A 118
 None
 1.00A 4l7iB-3bxhA:
undetectable		 4l7iB-3bxhA:
22.87
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.
3c8c METHYL-ACCEPTING
CHEMOTAXIS PROTEIN

(Vibrio cholerae) 		PF02743
(dCache_1) 		4 ASP A 273
ALA A  82
SER A 272
ASP A  75
 None
 1.08A 4l7iB-3c8cA:
undetectable		 4l7iB-3c8cA:
23.30
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.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Mus musculus) 		PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind) 		4 HIS A 439
PRO A 481
ASP A 438
LYS A 436
 None
 0.97A 4l7iB-3d45A:
undetectable		 4l7iB-3d45A:
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.
3g7x FEMALE-SPECIFIC
HISTAMINE-BINDING
PROTEIN 2

(Rhipicephalus
appendiculatus) 		PF02098
(His_binding) 		4 LYS A  19
ALA A  23
TYR A  29
ASP A 116
 None
 1.00A 4l7iB-3g7xA:
undetectable		 4l7iB-3g7xA:
19.40
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.
3gb4 DDMC

(Stenotrophomonas
maltophilia) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 PRO A  55
ASP A  47
SER A  57
ASP A  58
 None
 0.97A 4l7iB-3gb4A:
undetectable		 4l7iB-3gb4A:
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PRO A  72
ASP A  79
ALA A 179
SER A 120
 None
 0.98A 4l7iB-3gbdA:
undetectable		 4l7iB-3gbdA:
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.
3ij6 UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Lactobacillus
acidophilus) 		PF04909
(Amidohydro_2) 		4 HIS A 225
ASP A 228
LYS A 224
ASP A 191
 None
 0.93A 4l7iB-3ij6A:
undetectable		 4l7iB-3ij6A:
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 HIS A  16
PRO A  17
ASP A 167
LYS A 169
 None
 0.28A 4l7iB-3imlA:
26.7		 4l7iB-3imlA:
24.67
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 HIS A  16
PRO A  17
LYS A 169
ASP A 242
 None
 0.95A 4l7iB-3imlA:
26.7		 4l7iB-3imlA:
24.67
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.
3ly9 TRANSCRIPTIONAL
ACTIVATOR CADC

(Escherichia
coli) 		no annotation 4 HIS A 240
ASP A 200
SER A 253
ASP A 198
 None
 1.08A 4l7iB-3ly9A:
undetectable		 4l7iB-3ly9A:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nxl GLUCARATE
DEHYDRATASE

(Burkholderia
lata) 		PF13378
(MR_MLE_C) 		4 HIS A 335
PRO A 334
ASP A 333
SER A 358
 None
 1.05A 4l7iB-3nxlA:
undetectable		 4l7iB-3nxlA:
23.12
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.
3obk DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Toxoplasma
gondii) 		PF00490
(ALAD) 		4 ASP A 242
LYS A 237
ALA A 215
SER A 244
 None
 0.95A 4l7iB-3obkA:
undetectable		 4l7iB-3obkA:
21.89
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.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		4 HIS A 331
PRO A 330
ASP A 329
SER A 354
 None
 0.99A 4l7iB-3p0wA:
undetectable		 4l7iB-3p0wA:
21.65
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.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  17
PRO A  18
ASP A 179
LYS A 181
ASP A 259
 None
None
None
None
CA  A 404 (-3.4A)
 0.70A 4l7iB-3rv2A:
26.4		 4l7iB-3rv2A:
25.41
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.
3rv6 ISOCHORISMATE
SYNTHASE/ISOCHORISMA
TE-PYRUVATE LYASE
MBTI

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind) 		4 ASP A 399
ALA A 401
TYR A  48
ASP A  51
 None
 0.97A 4l7iB-3rv6A:
undetectable		 4l7iB-3rv6A:
23.12
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.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  16
PRO A  17
ASP A 166
LYS A 168
ASP A 245
 None
None
None
ACT  A 400 ( 4.9A)
None
 0.62A 4l7iB-3so4A:
26.9		 4l7iB-3so4A:
25.42
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.
3tgw V-TYPE ATP SYNTHASE
BETA CHAIN

(Methanosarcina
mazei) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 ASP A 105
TYR A 233
SER A  81
ASP A  83
 None
 1.00A 4l7iB-3tgwA:
undetectable		 4l7iB-3tgwA:
23.27
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.
3tzg HYPOTHETICAL PROTEIN
BVU_2266

(Bacteroides
vulgatus) 		no annotation 4 ASP A 203
TYR A 120
SER A 204
ASP A 200
 None
 1.02A 4l7iB-3tzgA:
undetectable		 4l7iB-3tzgA:
22.89
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 HIS A  87
PRO A  96
ALA A 115
TYR A 165
 None
 0.92A 4l7iB-3u4aA:
undetectable		 4l7iB-3u4aA:
20.31
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.
3wxb UNCHARACTERIZED
PROTEIN

(Gallus gallus) 		PF00106
(adh_short) 		4 HIS A 207
PRO A 208
ALA A 161
TYR A 178
 NDP  A 300 ( 4.7A)
NDP  A 300 (-4.2A)
EDO  A 301 ( 3.8A)
EDO  A 301 ( 4.3A)
 0.95A 4l7iB-3wxbA:
undetectable		 4l7iB-3wxbA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zlc ER-DERIVED VESICLES
PROTEIN ERV41

(Saccharomyces
cerevisiae) 		PF07970
(COPIIcoated_ERV)
PF13850
(ERGIC_N) 		4 PRO A 242
ALA A 250
SER A 289
ASP A  58
 None
 1.07A 4l7iB-3zlcA:
undetectable		 4l7iB-3zlcA:
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		4 HIS A  56
ASP A  57
TYR A  51
SER A  54
 None
None
GOL  A 505 ( 3.8A)
None
 1.05A 4l7iB-4a69A:
undetectable		 4l7iB-4a69A:
20.56
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PRO A  56
ASP A  63
ALA A 163
SER A 104
 None
 1.00A 4l7iB-4aieA:
undetectable		 4l7iB-4aieA:
23.75
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.
4b29 DIMETHYLSULFONIOPROP
IONATE LYASE

(Roseovarius
nubinhibens) 		PF16867
(DMSP_lyase) 		4 HIS A  74
PRO A  73
LYS A   2
ALA A   5
 None
None
PO4  A1199 (-3.3A)
None
 0.95A 4l7iB-4b29A:
undetectable		 4l7iB-4b29A:
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.
4b4o EPIMERASE FAMILY
PROTEIN SDR39U1

(Homo sapiens) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		4 HIS A 194
ASP A 197
ALA A 199
SER A 280
 None
 1.01A 4l7iB-4b4oA:
undetectable		 4l7iB-4b4oA:
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.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		4 PRO A 514
ASP A 515
ALA A 547
SER A 512
 None
 1.01A 4l7iB-4cjaA:
undetectable		 4l7iB-4cjaA:
19.62
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.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 ASP A  56
LYS A  15
ALA A  54
SER A  34
 None
 1.06A 4l7iB-4dgqA:
undetectable		 4l7iB-4dgqA:
21.50
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 PRO A  41
ASP A  80
ALA A 112
SER A  82
 None
None
None
ACT  A 405 (-4.5A)
 0.93A 4l7iB-4evqA:
undetectable		 4l7iB-4evqA:
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.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		4 HIS A 311
PRO A 310
ASP A 309
SER A 334
 None
 0.98A 4l7iB-4g8tA:
undetectable		 4l7iB-4g8tA:
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 PRO A  99
ASP A 106
ALA A 206
SER A 147
 None
 0.96A 4l7iB-4hozA:
undetectable		 4l7iB-4hozA:
23.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hpv S-ADENOSYLMETHIONINE
SYNTHASE

(Sulfolobus
solfataricus) 		PF01941
(AdoMet_Synthase) 		7 HIS A  29
PRO A  30
ASP A 199
LYS A 201
ALA A 216
TYR A 270
SER A 277
 None
 0.22A 4l7iB-4hpvA:
61.9		 4l7iB-4hpvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hpv S-ADENOSYLMETHIONINE
SYNTHASE

(Sulfolobus
solfataricus) 		PF01941
(AdoMet_Synthase) 		7 PRO A  30
ASP A 199
LYS A 201
ALA A 216
TYR A 270
SER A 277
ASP A 282
 None
 0.83A 4l7iB-4hpvA:
61.9		 4l7iB-4hpvA:
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.
4hyr GLUCARATE
DEHYDRATASE

(Acidaminococcus
intestini) 		PF13378
(MR_MLE_C) 		4 HIS A 311
PRO A 310
ASP A 309
SER A 334
 None
 0.96A 4l7iB-4hyrA:
undetectable		 4l7iB-4hyrA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j35 PHOSPHOTRIESTERASE,
PUTATIVE

(Deinococcus
radiodurans) 		PF02126
(PTE) 		4 HIS A 204
ASP A 206
ALA A 225
ASP A 264
 CO  A 401 (-3.2A)
None
None
CO  A 402 (-2.7A)
 1.06A 4l7iB-4j35A:
undetectable		 4l7iB-4j35A:
22.47
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.
4k2h INTRACELLULAR
PROTEASE/AMIDASE

(Salmonella
enterica) 		PF01965
(DJ-1_PfpI) 		4 HIS A 155
PRO A 140
ASP A 158
TYR A 183
 None
 1.03A 4l7iB-4k2hA:
undetectable		 4l7iB-4k2hA:
19.11
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.
4k35 GLYCOSIDE HYDROLASE
FAMILY 81
ENDO-BETA-1,3-GLUCAN
ASE

(Rhizomucor
miehei) 		PF03639
(Glyco_hydro_81) 		4 PRO A 296
ALA A 162
TYR A 163
SER A 262
 None
 1.05A 4l7iB-4k35A:
undetectable		 4l7iB-4k35A:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		7 HIS A  33
PRO A  34
ASP A 201
ALA A 218
TYR A 271
SER A 278
ASP A 283
 None
 0.82A 4l7iB-4l4qA:
55.6		 4l7iB-4l4qA:
51.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4l4q S-ADENOSYLMETHIONINE
SYNTHASE

(Thermococcus
kodakarensis) 		PF01941
(AdoMet_Synthase) 		7 HIS A  33
PRO A  34
ASP A 201
LYS A 203
ALA A 218
TYR A 271
SER A 278
 None
 0.48A 4l7iB-4l4qA:
55.6		 4l7iB-4l4qA:
51.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  13
PRO A  14
ASP A 168
LYS A 170
ASP A 250
 None
 0.63A 4l7iB-4le5A:
25.7		 4l7iB-4le5A:
25.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6z SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
falciparum) 		PF00464
(SHMT) 		4 HIS A 129
ASP A 208
ALA A 104
SER A 210
 PLP  A 701 (-3.6A)
PLP  A 701 (-2.7A)
None
PLP  A 701 (-3.4A)
 1.01A 4l7iB-4o6zA:
undetectable		 4l7iB-4o6zA:
22.82
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.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  34
PRO A  35
ASP A 187
LYS A 189
ASP A 266
 SAM  A 500 ( 3.8A)
SAM  A 500 (-4.3A)
SAM  A 500 (-2.8A)
3PO  A 501 ( 2.7A)
SAM  A 500 (-3.3A)
 0.33A 4l7iB-4odjA:
26.3		 4l7iB-4odjA:
25.11
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 HIS A 240
ALA A  75
TYR A 227
SER A 236
 None
 1.01A 4l7iB-4oqjA:
undetectable		 4l7iB-4oqjA:
18.36
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.
4p3w FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		4 HIS A2315
PRO A2320
LYS A2310
ALA A2272
 None
 1.03A 4l7iB-4p3wA:
undetectable		 4l7iB-4p3wA:
18.55
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		4 HIS A 195
ASP A  89
ALA A  60
TYR A  85
 ZN  A 505 ( 3.1A)
ZN  A 505 (-3.0A)
MAN  A 501 ( 4.7A)
None
 0.87A 4l7iB-4r9gA:
undetectable		 4l7iB-4r9gA:
22.25
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.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		4 HIS A 238
ALA A 376
SER A 265
ASP A 261
 None
 1.01A 4l7iB-4ru4A:
undetectable		 4l7iB-4ru4A:
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.
4ug4 CHOLINE SULFATASE

(Sinorhizobium
meliloti) 		PF00884
(Sulfatase)
PF12411
(Choline_sulf_C) 		4 HIS A 297
LYS A 309
TYR A 262
ASP A  14
 MN  A1513 (-3.5A)
None
None
MN  A1513 (-2.4A)
 0.89A 4l7iB-4ug4A:
undetectable		 4l7iB-4ug4A:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 329
LYS A 341
TYR A 294
ASP A  24
 MG  A1001 (-3.1A)
DDZ  A  64 ( 4.6A)
None
MG  A1001 (-1.9A)
 1.08A 4l7iB-4uphA:
undetectable		 4l7iB-4uphA:
22.47
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.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 327
LYS A 339
TYR A 292
ASP A   9
 ZN  A1553 (-3.2A)
None
None
ZN  A1553 (-2.2A)
 0.94A 4l7iB-4uplA:
undetectable		 4l7iB-4uplA:
21.90
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.
4zi5 P91

(metagenome) 		PF01738
(DLH) 		4 HIS A 209
ALA A  38
SER A 200
ASP A 203
 None
 0.97A 4l7iB-4zi5A:
undetectable		 4l7iB-4zi5A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 HIS A  29
PRO A  30
ASP A 179
LYS A 181
ASP A 258
 SAM  A 405 ( 3.6A)
SAM  A 405 (-4.0A)
ADN  A 407 (-2.8A)
PPK  A 400 ( 2.6A)
K  A 403 ( 3.0A)
 0.33A 4l7iB-5a1iA:
26.4		 4l7iB-5a1iA:
24.84
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.
5bvl DESIGNED TIM BARREL
STIM11

(synthetic
construct) 		no annotation 5 ASP A 167
ALA A 143
TYR A 160
SER A 162
ASP A 163
 None
 1.49A 4l7iB-5bvlA:
undetectable		 4l7iB-5bvlA:
18.56
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.
5cef ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 PRO A 130
ALA A 166
TYR A 281
ASP A 284
 None
 1.01A 4l7iB-5cefA:
undetectable		 4l7iB-5cefA:
23.23
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.
5e5u RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE GAMMA

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 HIS A 279
ALA A 283
SER A 277
ASP A 210
 None
 1.02A 4l7iB-5e5uA:
undetectable		 4l7iB-5e5uA:
20.87
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.
5eeb ALDEHYDE
DEHYDROGENASE

(Pyrobaculum
ferrireducens) 		PF00171
(Aldedh) 		4 PRO A  20
ASP A  47
ALA A  51
SER A  43
 None
 1.06A 4l7iB-5eebA:
undetectable		 4l7iB-5eebA:
21.81
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		4 ASP A 499
ALA A 194
TYR A 502
SER A 506
 None
 1.07A 4l7iB-5ficA:
undetectable		 4l7iB-5ficA:
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.
5fql IDURONATE-2-SULFATAS
E

(Homo sapiens) 		PF00884
(Sulfatase) 		4 HIS A 335
LYS A 347
ALA A 346
ASP A  45
 CA  A1551 (-3.3A)
ALS  A  84 ( 2.6A)
None
CA  A1551 (-3.0A)
 1.04A 4l7iB-5fqlA:
undetectable		 4l7iB-5fqlA:
22.26
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.
5fql IDURONATE-2-SULFATAS
E

(Homo sapiens) 		PF00884
(Sulfatase) 		4 HIS A 335
LYS A 347
TYR A 300
ASP A  45
 CA  A1551 (-3.3A)
ALS  A  84 ( 2.6A)
None
CA  A1551 (-3.0A)
 0.88A 4l7iB-5fqlA:
undetectable		 4l7iB-5fqlA:
22.26
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 HIS C 275
ALA C 247
SER C 361
ASP C 363
 NI  C 600 ( 3.3A)
KCX  C 220 ( 4.0A)
None
NI  C 601 ( 2.6A)
 1.07A 4l7iB-5fseC:
undetectable		 4l7iB-5fseC:
24.02
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.
5gnx BETA-GLUCOSIDASE

(metagenome) 		PF00232
(Glyco_hydro_1) 		4 ASP A  41
ALA A  35
SER A  38
ASP A 128
 None
 1.06A 4l7iB-5gnxA:
undetectable		 4l7iB-5gnxA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata) 		no annotation 4 HIS A 184
ASP A 123
SER A 122
ASP A  81
 None
 1.01A 4l7iB-5h2tA:
undetectable		 4l7iB-5h2tA:
19.24
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.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		4 HIS A 253
ASP A 245
SER A 255
ASP A 256
 None
None
NA  A 803 ( 4.8A)
None
 1.05A 4l7iB-5h8wA:
undetectable		 4l7iB-5h8wA:
22.08
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.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 4 HIS C  16
PRO C  17
ASP C 175
ASP C 251
 None
 0.78A 4l7iB-5h9uC:
27.1		 4l7iB-5h9uC:
24.12
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.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 4 HIS C  16
PRO C  17
LYS C 177
ASP C 251
 None
 1.07A 4l7iB-5h9uC:
27.1		 4l7iB-5h9uC:
24.12
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.
5ivl DEAD-BOX
ATP-DEPENDENT RNA
HELICASE CSHA

(Geobacillus
stearothermophilus) 		no annotation 4 ASP B 320
ALA B  77
SER B 323
ASP B 298
 None
 1.06A 4l7iB-5ivlB:
undetectable		 4l7iB-5ivlB:
23.38
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		4 HIS A 227
ASP A 225
ALA A 239
TYR A 269
 None
 1.02A 4l7iB-5jheA:
undetectable		 4l7iB-5jheA:
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 PRO A 137
ASP A 139
ALA A  86
TYR A  88
 None
 1.07A 4l7iB-5jn9A:
undetectable		 4l7iB-5jn9A:
19.46
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.
5nfn JMJC
DOMAIN-CONTAINING
PROTEIN 7

(Homo sapiens) 		no annotation 4 HIS A 278
ALA A 258
TYR A 253
ASP A 241
 None
 0.92A 4l7iB-5nfnA:
undetectable		 4l7iB-5nfnA:
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.
5t8t S-ADENOSYLMETHIONINE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 HIS A  15
PRO A  16
ASP A 166
ASP A 243
 None
 0.60A 4l7iB-5t8tA:
26.7		 4l7iB-5t8tA:
24.84
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 HIS A 115
PRO A 124
ALA A 143
TYR A 193
 None
 0.95A 4l7iB-5tf0A:
undetectable		 4l7iB-5tf0A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		4 HIS A1112
ASP A1108
ALA A1155
SER A1421
 None
 0.96A 4l7iB-5u1sA:
undetectable		 4l7iB-5u1sA:
13.88
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		4 ASP A 128
ALA A  17
SER A 130
ASP A 136
 None
 0.95A 4l7iB-5us8A:
undetectable		 4l7iB-5us8A:
24.30
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.
5xeq MAM
DOMAIN-CONTAINING
GLYCOSYLPHOSPHATIDYL
INOSITOL ANCHOR
PROTEIN 1

(Homo sapiens) 		PF13927
(Ig_3) 		4 ASP B 208
ALA B 210
TYR B 212
ASP B 181
 None
 1.03A 4l7iB-5xeqB:
undetectable		 4l7iB-5xeqB:
23.76
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.
5xmr SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
vivax) 		no annotation 4 HIS A 129
ASP A 208
ALA A 104
SER A 210
 PLG  A 501 ( 3.5A)
PLG  A 501 (-3.1A)
None
PLG  A 501 (-3.5A)
 1.01A 4l7iB-5xmrA:
undetectable		 4l7iB-5xmrA:
25.76
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 HIS A 113
PRO A 122
ALA A 141
TYR A 191
 None
 0.89A 4l7iB-5xxoA:
undetectable		 4l7iB-5xxoA:
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 4 HIS A 266
PRO A 260
ALA A 269
TYR A 243
 None
 0.88A 4l7iB-6c26A:
undetectable		 4l7iB-6c26A:
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.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 4 HIS A  67
PRO A  66
ASP A 416
ALA A 408
 None
 1.06A 4l7iB-6cr0A:
undetectable		 4l7iB-6cr0A:
22.27