SIMILAR PATTERNS OF AMINO ACIDS FOR 4IV0_B_SAMB302_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ahi 7
ALPHA-HYDROXYSTEROID
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 GLY A  18
GLY A  20
ILE A  43
ASP A  68
ILE A  69
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.6A)
NAI  A 302 (-3.8A)
 0.75A 4iv0B-1ahiA:
7.4		 4iv0B-1ahiA:
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.
1c0n PROTEIN (CSDB
PROTEIN)

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 ILE A  98
GLY A  93
GLY A  97
ILE A 235
ILE A 233
 None
PLP  A 500 ( 4.2A)
None
None
None
 1.15A 4iv0B-1c0nA:
2.8		 4iv0B-1c0nA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 TYR A 158
GLY A 125
GLY A 176
ILE A 127
ILE A 134
 None
 0.92A 4iv0B-1cqjA:
4.3		 4iv0B-1cqjA:
23.42
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.
1cvm PHYTASE

(Bacillus
amyloliquefaciens) 		PF02333
(Phytase) 		5 ILE A 316
GLY A 212
GLY A 261
ILE A 231
ILE A 224
 None
 1.16A 4iv0B-1cvmA:
undetectable		 4iv0B-1cvmA:
20.17
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.
1dlj UDP-GLUCOSE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 255
GLY A 257
ILE A 331
ILE A 294
SER A 253
 None
UGA  A 404 (-3.2A)
None
None
UGA  A 404 (-2.7A)
 1.12A 4iv0B-1dljA:
5.4		 4iv0B-1dljA:
24.47
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 TYR A 168
ILE A 293
GLY A 241
MET A  50
ILE A 197
 None
 1.14A 4iv0B-1f76A:
undetectable		 4iv0B-1f76A:
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.
1fyh INTERFERON GAMMA
RECEPTOR 1

(Homo sapiens) 		PF01108
(Tissue_fac)
PF07140
(IFNGR1) 		5 ILE B 170
GLY B 202
ILE B 110
ARG B 153
HIS B 130
 None
 1.04A 4iv0B-1fyhB:
undetectable		 4iv0B-1fyhB:
23.33
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.
1gpl RP2 LIPASE

(Cavia porcellus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TYR A 114
GLY A  76
ILE A 121
ILE A  74
SER A 152
 None
 0.99A 4iv0B-1gplA:
undetectable		 4iv0B-1gplA:
23.24
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.
1jj7 PEPTIDE TRANSPORTER
TAP1

(Homo sapiens) 		PF00005
(ABC_tran) 		5 ILE A 720
GLY A 538
ILE A 699
ASP A 668
SER A 542
 None
None
None
None
ADP  A 752 (-3.4A)
 1.10A 4iv0B-1jj7A:
undetectable		 4iv0B-1jj7A:
20.46
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		5 ILE A 219
GLY A 261
MET A 266
SER A 115
HIS A 116
 None
None
None
None
ZN  A   1 (-3.4A)
 1.02A 4iv0B-1l9yA:
undetectable		 4iv0B-1l9yA:
20.70
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.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 TYR A 158
GLY A 125
GLY A 176
ILE A 127
ILE A 134
 None
 0.75A 4iv0B-1oi7A:
4.5		 4iv0B-1oi7A:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pox PYRUVATE OXIDASE

(Lactobacillus
plantarum) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 222
GLY A 220
ASP A 308
ILE A 307
HIS A 101
 FAD  A 612 (-3.3A)
FAD  A 612 (-3.0A)
None
FAD  A 612 (-3.8A)
FAD  A 612 (-3.9A)
 0.99A 4iv0B-1poxA:
3.8		 4iv0B-1poxA:
18.12
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.
1qdu CASPASE-8
ALPHA-CHAIN

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 ILE A 176
GLY A 245
GLY A 248
ILE A 242
SER A 236
 None
 1.14A 4iv0B-1qduA:
2.0		 4iv0B-1qduA:
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		5 ILE A 160
GLY A 202
GLY A 158
ASP A 324
ILE A 327
 None
 1.08A 4iv0B-1umfA:
undetectable		 4iv0B-1umfA:
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		6 GLY A  48
ILE A  68
MET A  72
ASP A  93
SER A 112
HIS A 115
 SAM  A 302 (-3.6A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.4A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.78A 4iv0B-1ve3A:
19.3		 4iv0B-1ve3A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 TYR A   7
GLY A  48
MET A  72
SER A 112
HIS A 115
 SAM  A 302 (-4.6A)
SAM  A 302 (-3.6A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.90A 4iv0B-1ve3A:
19.3		 4iv0B-1ve3A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w1w STRUCTURAL
MAINTENANCE OF
CHROMOSOME 1

(Saccharomyces
cerevisiae) 		PF02463
(SMC_N) 		5 ILE A1215
GLY A  33
GLY A1203
ILE A1188
SER A  37
 None
None
None
None
AGS  A2224 (-3.5A)
 0.95A 4iv0B-1w1wA:
undetectable		 4iv0B-1w1wA:
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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 TYR X 116
GLY X  78
ILE X 123
ILE X  76
SER X 154
 DDQ  X 502 (-4.5A)
None
None
None
DDQ  X 502 ( 3.7A)
 1.13A 4iv0B-1w52X:
2.2		 4iv0B-1w52X:
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.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		5 TYR A 248
GLY A 117
GLY A 147
ILE A 115
SER A 243
 None
 1.09A 4iv0B-1zbsA:
undetectable		 4iv0B-1zbsA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		5 ILE A 206
GLY A 119
ASP A  86
ILE A  85
SER A 123
 None
 1.00A 4iv0B-1zmbA:
2.6		 4iv0B-1zmbA:
26.61
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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A

(Escherichia
coli) 		PF03562
(MltA)
PF06725
(3D) 		5 GLY X 165
GLY X 163
ILE X 158
ASP X 155
ILE X 106
 None
 1.11A 4iv0B-2ae0X:
undetectable		 4iv0B-2ae0X:
20.11
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 134
GLY A 185
ILE A 136
CYH A 183
ILE A 143
 None
 1.04A 4iv0B-2fpgA:
3.7		 4iv0B-2fpgA:
20.93
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 TYR A 167
GLY A 134
GLY A 185
ILE A 136
ILE A 143
 None
 0.93A 4iv0B-2fpgA:
3.7		 4iv0B-2fpgA:
20.93
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.
2k4m UPF0146 PROTEIN
MTH_1000

(Methanothermobacter
thermautotrophicus) 		PF03686
(UPF0146) 		5 GLY A  45
ILE A  67
ASP A  78
ILE A  79
ARG A  97
 None
 1.00A 4iv0B-2k4mA:
8.9		 4iv0B-2k4mA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 ILE A 415
GLY A 410
ILE A 390
MET A 404
ILE A 382
 None
 1.16A 4iv0B-2np0A:
undetectable		 4iv0B-2np0A:
13.20
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.
2p8j S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF08241
(Methyltransf_11) 		5 GLY A  30
GLY A  32
ILE A  53
ASP A  78
ILE A  79
 GOL  A 213 ( 3.7A)
None
GOL  A 213 (-4.0A)
None
GOL  A 213 ( 4.6A)
 0.88A 4iv0B-2p8jA:
16.1		 4iv0B-2p8jA:
23.71
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.
2pvp D-ALANINE-D-ALANINE
LIGASE

(Helicobacter
pylori) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ILE A 304
GLY A 103
GLY A 100
ARG A 120
SER A 124
 None
 0.85A 4iv0B-2pvpA:
undetectable		 4iv0B-2pvpA:
28.17
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 499
ILE A 458
MET A 489
ILE A 457
ARG A 522
 None
 1.10A 4iv0B-2vbiA:
2.8		 4iv0B-2vbiA:
20.25
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.
2wkn FORMAMIDASE

(Delftia
acidovorans) 		PF03069
(FmdA_AmdA) 		5 GLY A 106
GLY A 264
ILE A  52
ASP A  60
SER A 127
 None
ZN  A 412 ( 4.6A)
None
None
None
 1.02A 4iv0B-2wknA:
undetectable		 4iv0B-2wknA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b2d LYMPHOCYTE ANTIGEN
86

(Homo sapiens) 		PF02221
(E1_DerP2_DerF2) 		5 GLY C  71
GLY C  52
ILE C  73
ILE C 120
ARG C  69
 None
 1.16A 4iv0B-3b2dC:
undetectable		 4iv0B-3b2dC:
17.89
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		6 GLY A  69
GLY A  71
ILE A  92
ASP A 119
SER A 138
HIS A 141
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-4.0A)
SAH  A 274 (-3.6A)
None
SAH  A 274 (-4.0A)
 0.90A 4iv0B-3busA:
24.9		 4iv0B-3busA:
24.18
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 TYR A 106
ILE A  74
GLY A 120
GLY A  92
ILE A 135
 None
 1.00A 4iv0B-3cjpA:
undetectable		 4iv0B-3cjpA:
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY

(Clostridium
acetobutylicum) 		PF04909
(Amidohydro_2) 		5 TYR A 106
ILE A  74
GLY A 120
GLY A  92
ILE A 149
 None
 1.10A 4iv0B-3cjpA:
undetectable		 4iv0B-3cjpA:
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
GLY A  42
MET A  65
ASP A  86
SER A 105
 None
 0.58A 4iv0B-3d2lA:
17.8		 4iv0B-3d2lA:
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.
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum) 		PF12146
(Hydrolase_4) 		5 GLY A  21
GLY A  23
MET A 165
ILE A  94
SER A  89
 OXE  A 243 (-3.8A)
None
OXE  A 243 ( 4.6A)
None
OXE  A 243 (-2.8A)
 1.14A 4iv0B-3e0xA:
undetectable		 4iv0B-3e0xA:
25.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		6 TYR A  56
ILE A  52
GLY A 134
GLY A  98
ILE A  12
ILE A  11
 None
 1.39A 4iv0B-3en0A:
3.9		 4iv0B-3en0A:
26.09
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.
3fnk CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		5 ILE A  46
GLY A 124
ILE A  27
MET A  14
ILE A  26
 None
 0.94A 4iv0B-3fnkA:
undetectable		 4iv0B-3fnkA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 TYR A 360
GLY A 308
GLY A 330
ILE A 282
SER A 325
 None
 1.08A 4iv0B-3gq9A:
undetectable		 4iv0B-3gq9A:
18.09
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		5 GLY A 352
GLY A 355
ILE A 350
ILE A 349
SER A 181
 None
 1.07A 4iv0B-3hd6A:
undetectable		 4iv0B-3hd6A:
18.95
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.
3lga SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
abyssi) 		PF08704
(GCD14)
PF14801
(GCD14_N) 		5 GLY A 101
GLY A 103
ILE A 126
ASP A 153
ILE A 154
 SAH  A 301 (-3.1A)
SAH  A 301 (-3.5A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.1A)
SAH  A 301 (-4.3A)
 0.63A 4iv0B-3lgaA:
14.1		 4iv0B-3lgaA:
23.05
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 ILE A 761
GLY A 361
GLY A 758
ASP A 722
ARG A 827
 None
 1.16A 4iv0B-3n23A:
undetectable		 4iv0B-3n23A:
14.02
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.
3p3k TRANSLATIONALLY-CONT
ROLLED TUMOR PROTEIN
HOMOLOG

(Plasmodium
falciparum) 		PF00838
(TCTP) 		5 ILE A 149
ILE A  75
ASP A  74
ILE A  73
SER A 152
 None
 1.10A 4iv0B-3p3kA:
undetectable		 4iv0B-3p3kA:
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.
3plr UDP-GLUCOSE
6-DEHYDROGENASE

(Klebsiella
pneumoniae) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 248
GLY A 250
ILE A 318
ILE A 321
SER A 246
 None
U5P  A 901 (-3.2A)
None
None
U5P  A 901 (-2.8A)
 1.13A 4iv0B-3plrA:
4.8		 4iv0B-3plrA:
25.99
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.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		5 ILE A 225
GLY A   5
ILE A 271
SER A  84
HIS A 100
 None
 1.13A 4iv0B-3ptwA:
undetectable		 4iv0B-3ptwA:
24.35
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.
3pvz UDP-N-ACETYLGLUCOSAM
INE 4,6-DEHYDRATASE

(Aliivibrio
fischeri) 		PF02719
(Polysacc_synt_2) 		5 GLY A  39
GLY A  42
ILE A  65
ASP A  94
ILE A  95
 NAD  A 501 ( 3.7A)
NAD  A 501 (-3.1A)
NAD  A 501 (-4.2A)
NAD  A 501 (-3.3A)
NAD  A 501 (-3.9A)
 0.98A 4iv0B-3pvzA:
6.8		 4iv0B-3pvzA:
23.93
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.
3qbo PHOSPHOSERINE
AMINOTRANSFERASE

(Yersinia pestis) 		PF00266
(Aminotran_5) 		5 GLY A 194
GLY A  75
CYH A  72
ILE A 199
SER A 175
 PLP  A 501 ( 4.6A)
PLP  A 501 (-3.3A)
None
None
PLP  A 501 (-3.8A)
 1.16A 4iv0B-3qboA:
undetectable		 4iv0B-3qboA:
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.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 TYR A 360
GLY A 308
GLY A 330
ILE A 282
SER A 325
 None
 1.07A 4iv0B-3sucA:
undetectable		 4iv0B-3sucA:
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.
3to3 PETROBACTIN
BIOSYNTHESIS PROTEIN
ASBB

(Bacillus
anthracis) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 ILE A 397
GLY A 386
ILE A 441
ILE A 452
HIS A 444
 None
 1.02A 4iv0B-3to3A:
undetectable		 4iv0B-3to3A:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		5 ILE A 200
GLY A 242
GLY A 202
ILE A 240
ARG A  15
 None
 1.09A 4iv0B-4eb5A:
undetectable		 4iv0B-4eb5A:
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.
4igd MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ILE A 463
GLY A 644
GLY A 588
ILE A 604
ASP A 640
 None
 0.94A 4iv0B-4igdA:
undetectable		 4iv0B-4igdA:
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 TYR A 187
GLY A 234
MET A 259
ILE A 231
HIS A 303
 SAH  A 501 ( 4.1A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.9A)
None
SAH  A 501 (-4.0A)
 1.12A 4iv0B-4ineA:
36.7		 4iv0B-4ineA:
26.84
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		7 TYR A 187
ILE A 204
GLY A 232
GLY A 234
ASP A 281
ARG A 298
HIS A 303
 SAH  A 501 ( 4.1A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.5A)
None
SAH  A 501 (-4.0A)
 0.64A 4iv0B-4ineA:
36.7		 4iv0B-4ineA:
26.84
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		7 TYR A 187
ILE A 204
GLY A 232
GLY A 234
MET A 259
ARG A 298
HIS A 303
 SAH  A 501 ( 4.1A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.9A)
None
SAH  A 501 (-4.0A)
 0.87A 4iv0B-4ineA:
36.7		 4iv0B-4ineA:
26.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		9 GLY A  61
GLY A  63
ILE A  84
CYH A  85
MET A  88
ASP A 108
ILE A 109
ARG A 125
HIS A 130
 SAM  A 301 (-3.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.8A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.1A)
None
SAM  A 301 (-3.9A)
 0.32A 4iv0B-4iv8A:
36.7		 4iv0B-4iv8A:
88.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iv8 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
knowlesi) 		PF08241
(Methyltransf_11) 		5 GLY A  63
CYH A  85
MET A  88
ILE A  60
HIS A 130
 SAM  A 301 ( 3.9A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
SAM  A 301 (-3.9A)
 1.08A 4iv0B-4iv8A:
36.7		 4iv0B-4iv8A:
88.38
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ILE A1013
GLY A1017
GLY A1015
ILE A1021
ARG A1009
 None
 0.99A 4iv0B-4j3bA:
undetectable		 4iv0B-4j3bA:
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 TYR A 183
GLY A 230
MET A 255
ILE A 227
HIS A 299
 SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.9A)
None
SAH  A 701 (-4.2A)
 1.05A 4iv0B-4kriA:
36.7		 4iv0B-4kriA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		8 TYR A 183
ILE A 200
GLY A 228
GLY A 230
MET A 255
ASP A 277
ARG A 294
HIS A 299
 SAH  A 701 ( 4.2A)
SAH  A 701 ( 4.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.9A)
SAH  A 701 (-3.4A)
None
SAH  A 701 (-4.2A)
 0.81A 4iv0B-4kriA:
36.7		 4iv0B-4kriA:
23.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 GLY A 166
GLY A 168
ILE A 190
ASP A 217
ARG A 172
 SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-3.8A)
 1.02A 4iv0B-4m73A:
14.9		 4iv0B-4m73A:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		6 TYR A  16
GLY A  62
CYH A  84
MET A  87
ILE A  59
HIS A 129
 SAM  A 301 ( 4.3A)
SAM  A 301 ( 3.8A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
None
SAM  A 301 (-3.9A)
 0.96A 4iv0B-4mwzA:
44.1		 4iv0B-4mwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		12 TYR A  16
ILE A  33
GLY A  60
GLY A  62
ILE A  83
CYH A  84
MET A  87
ASP A 107
ILE A 108
ARG A 124
SER A 126
HIS A 129
 SAM  A 301 ( 4.3A)
SAM  A 301 (-4.3A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 3.8A)
SAM  A 301 (-3.7A)
BME  A 303 (-1.9A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.5A)
SAM  A 301 (-4.0A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
 0.07A 4iv0B-4mwzA:
44.1		 4iv0B-4mwzA:
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.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 ILE A 282
GLY A 409
GLY A 411
MET A 433
SER A 454
 NO3  A 502 (-4.8A)
None
None
None
None
 1.09A 4iv0B-4o6rA:
4.3		 4iv0B-4o6rA:
18.71
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 GLY A 384
GLY A 404
ILE A 364
ASP A 342
ILE A 343
 None
 1.01A 4iv0B-4om9A:
undetectable		 4iv0B-4om9A:
14.85
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		5 TYR A  23
ILE A  40
GLY A  80
GLY A  82
ASP A 130
 SAH  A 301 (-3.0A)
SAH  A 301 ( 3.3A)
SAH  A 301 (-2.7A)
SAH  A 301 (-2.9A)
SAH  A 301 (-2.7A)
 0.79A 4iv0B-4pneA:
24.3		 4iv0B-4pneA:
26.67
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		5 GLY A  70
GLY A  72
ILE A  92
MET A  96
HIS A 139
 SAH  A 301 (-3.4A)
SAH  A 301 (-3.6A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.2A)
None
 0.95A 4iv0B-4qdkA:
17.0		 4iv0B-4qdkA:
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 TYR B  14
GLY B  55
GLY B  57
ILE B  78
ASP B  99
 None
SAM  B 301 (-3.7A)
SAM  B 301 (-3.3A)
SAM  B 301 (-3.7A)
SAM  B 301 (-3.7A)
 0.58A 4iv0B-4qtuB:
18.4		 4iv0B-4qtuB:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		8 TYR A  19
ILE A  36
GLY A  63
GLY A  65
CYH A  87
ASP A 110
ILE A 111
ARG A 127
 SAH  A 302 ( 4.1A)
SAH  A 302 ( 3.9A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.4A)
SAH  A 302 (-3.6A)
SAH  A 302 (-4.1A)
None
 0.71A 4iv0B-4r6wA:
40.2		 4iv0B-4r6wA:
60.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		9 TYR A  19
ILE A  36
GLY A  63
GLY A  65
ILE A  86
ASP A 110
ILE A 111
ARG A 127
HIS A 132
 SAH  A 302 ( 4.1A)
SAH  A 302 ( 3.9A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-3.7A)
SAH  A 302 (-3.6A)
SAH  A 302 (-4.1A)
None
SAH  A 302 (-4.3A)
 0.33A 4iv0B-4r6wA:
40.2		 4iv0B-4r6wA:
60.14
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.
4v12 MAOC LIKE DOMAIN
PROTEIN

(Mycolicibacterium
smegmatis) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 ILE A 282
GLY A 280
ILE A 101
ASP A 105
HIS A 140
 None
 1.17A 4iv0B-4v12A:
undetectable		 4iv0B-4v12A:
21.39
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.
4w8y CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		5 GLY A 671
ILE A 668
ILE A 233
SER A 250
HIS A 247
 None
 1.03A 4iv0B-4w8yA:
undetectable		 4iv0B-4w8yA:
17.04
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.
4wi0 CELLULOSOMAL
SCAFFOLDIN ADAPTOR
PROTEIN B

(Acetivibrio
cellulolyticus) 		PF00963
(Cohesin) 		5 ILE A  39
GLY A 117
ILE A  20
MET A   7
ILE A  19
 None
 0.94A 4iv0B-4wi0A:
undetectable		 4iv0B-4wi0A:
21.59
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.
4xbz EVDO1

(Micromonospora
carbonacea) 		PF05721
(PhyH) 		5 GLY A 155
GLY A 153
ILE A 219
ASP A 159
ILE A 158
 None
None
None
GOL  A 402 (-3.9A)
None
 1.11A 4iv0B-4xbzA:
undetectable		 4iv0B-4xbzA:
24.22
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.
4y1g UNCHARACTERIZED
PROTEIN SAV1875

(Staphylococcus
aureus) 		PF01965
(DJ-1_PfpI) 		5 ILE A 104
ILE A 110
ASP A 113
ILE A 112
ARG A 129
 CSO  A 105 ( 3.6A)
None
None
None
None
 1.13A 4iv0B-4y1gA:
2.8		 4iv0B-4y1gA:
21.33
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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		5 TYR A 505
GLY A 360
ILE A 490
ARG A 378
SER A 363
 None
 1.14A 4iv0B-4yplA:
undetectable		 4iv0B-4yplA:
18.41
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 GLY A 102
GLY A 124
ILE A 100
ILE A  29
SER A 106
 None
None
ACT  A 484 (-3.8A)
None
None
 1.15A 4iv0B-5a62A:
undetectable		 4iv0B-5a62A:
23.40
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.
5adv ENTEROCHELIN UPTAKE
PERIPLASMIC BINDING
PROTEIN

(Campylobacter
jejuni) 		PF01497
(Peripla_BP_2) 		5 GLY A 225
ILE A 222
ILE A 189
ARG A 249
SER A 198
 None
None
None
DBS  A1313 ( 3.5A)
None
 1.08A 4iv0B-5advA:
undetectable		 4iv0B-5advA:
23.51
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.
5avo HOMOSERINE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 GLY A 291
GLY A 132
ILE A 136
ARG A  23
SER A 294
 None
 1.09A 4iv0B-5avoA:
undetectable		 4iv0B-5avoA:
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.
5b58 PUTATIVE HEMIN ABC
TRANSPORT SYSTEM,
MEMBRANE PROTEIN

(Burkholderia
cenocepacia) 		PF01032
(FecCD) 		5 GLY A 117
GLY A 114
ILE A 181
ILE A 183
SER A 120
 None
 1.11A 4iv0B-5b58A:
undetectable		 4iv0B-5b58A:
17.78
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.
5bk6 PUTATIVE AMIDASE

(Rhizobium
leguminosarum) 		no annotation 5 ILE A  65
GLY A 198
CYH A  42
MET A  37
ASP A  54
 None
 0.95A 4iv0B-5bk6A:
undetectable		 4iv0B-5bk6A:
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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ILE A 164
GLY A 369
GLY A 393
ILE A 367
HIS A 321
 KCX  A 191 ( 4.1A)
None
None
None
KCX  A 191 ( 3.5A)
 1.10A 4iv0B-5c2cA:
undetectable		 4iv0B-5c2cA:
24.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dz6 POLYKETIDE
BIOSYNTHESIS MALONYL
COA-ACYL CARRIER
PROTEIN TRANSACYLASE
PKSC

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		5 ILE A 119
GLY A 162
GLY A 122
ILE A 160
SER A 194
 None
 1.14A 4iv0B-5dz6A:
undetectable		 4iv0B-5dz6A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dz7 POLYKETIDE
BIOSYNTHESIS PROTEIN
PKSE

(Bacillus
subtilis) 		PF00698
(Acyl_transf_1) 		5 ILE A 119
GLY A 162
GLY A 122
ILE A 160
SER A 194
 None
 1.12A 4iv0B-5dz7A:
undetectable		 4iv0B-5dz7A:
26.93
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.
5e72 N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE

(Thermococcus
kodakarensis) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ILE A 163
GLY A 189
ILE A 209
MET A 213
ASP A 235
 SAM  A 400 ( 4.1A)
SAM  A 400 (-3.3A)
SAM  A 400 (-3.9A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.4A)
 0.98A 4iv0B-5e72A:
14.5		 4iv0B-5e72A:
23.31
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.
5eqi SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 1

(Homo sapiens) 		PF00083
(Sugar_tr) 		5 ILE A 168
GLY A 312
GLY A 314
ILE A 372
ILE A 369
 None
 1.11A 4iv0B-5eqiA:
undetectable		 4iv0B-5eqiA:
18.06
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.
5g2c CHLORIDE PUMPING
RHODOPSIN

(Nonlabens
marinus) 		PF01036
(Bac_rhodopsin) 		5 GLY A 139
GLY A 142
ILE A 137
ILE A 136
SER A 160
 RET  A1273 ( 3.7A)
None
OLA  A1276 ( 4.4A)
None
RET  A1273 (-3.3A)
 1.07A 4iv0B-5g2cA:
undetectable		 4iv0B-5g2cA:
20.26
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.
5gm2 O-METHYLRANSFERASE

(Streptomyces
blastmyceticus) 		PF08241
(Methyltransf_11) 		5 GLY A  85
GLY A  87
ASP A 135
SER A 154
HIS A 157
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.6A)
SAH  A 301 (-4.4A)
SAH  A 301 ( 4.3A)
 0.81A 4iv0B-5gm2A:
23.3		 4iv0B-5gm2A:
20.38
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.
5mpo MOLYBDOPTERIN
SYNTHASE CATALYTIC
SUBUNIT

(Homo sapiens) 		PF02391
(MoaE) 		5 GLY C  76
ILE C 137
ILE C 136
SER C 134
HIS C 123
 None
 1.16A 4iv0B-5mpoC:
undetectable		 4iv0B-5mpoC:
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLY B 205
GLY B 207
ILE B 231
ASP B 255
ILE B 256
 SAH  B 501 (-3.5A)
SAH  B 501 (-3.3A)
SAH  B 501 (-3.7A)
SAH  B 501 (-3.9A)
SAH  B 501 (-4.3A)
 0.77A 4iv0B-5thzB:
15.6		 4iv0B-5thzB:
21.39
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.
5tth C-TERMINAL
SPYCATCHER FUSION OF
WILDTYPE ZEBRAFISH
TNF
RECEPTOR-ASSOCIATED
PROTEIN 1

(Streptococcus
pyogenes;
Danio rerio) 		PF00183
(HSP90)
PF13589
(HATPase_c_3) 		5 ILE A 426
ASP A 393
ILE A 394
ARG A 355
SER A 408
 None
 1.10A 4iv0B-5tthA:
undetectable		 4iv0B-5tthA:
17.73
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.
5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3

(Mus musculus) 		no annotation 5 GLY A 222
GLY A 370
ILE A 374
ILE A 375
SER A 191
 None
 1.07A 4iv0B-5verA:
3.7		 4iv0B-5verA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3

(Mus musculus) 		no annotation 5 GLY A 222
GLY A 371
ILE A 374
ILE A 375
SER A 191
 None
 1.06A 4iv0B-5verA:
3.7		 4iv0B-5verA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 ILE A  34
GLY A 265
GLY A 304
ILE A 269
ILE A 284
 EDO  A 412 (-4.1A)
None
ZN  A 401 ( 4.2A)
None
None
 1.15A 4iv0B-5vi6A:
4.1		 4iv0B-5vi6A:
20.84
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.
5wcj METHYLTRANSFERASE-LI
KE PROTEIN 13

(Homo sapiens) 		PF01564
(Spermine_synth) 		5 GLY A 501
GLY A 503
ILE A 525
MET A 529
ASP A 551
 SAH  A 705 (-3.5A)
SAH  A 705 (-3.6A)
SAH  A 705 (-3.6A)
SAH  A 705 (-4.4A)
SAH  A 705 (-3.4A)
 0.89A 4iv0B-5wcjA:
12.6		 4iv0B-5wcjA:
24.68
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 7 TYR A 246
GLY A 290
GLY A 292
MET A 317
ASP A 338
ARG A 355
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 (-4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-3.8A)
SAH  A 703 (-3.3A)
None
SAH  A 703 (-4.0A)
 0.55A 4iv0B-5wp4A:
38.1		 4iv0B-5wp4A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 6 GLY A 290
GLY A 292
MET A 317
ASP A 338
ARG A 355
HIS A 360
 SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.0A)
SAH  A 501 (-3.4A)
None
SAH  A 501 (-4.0A)
 0.58A 4iv0B-5wp5A:
33.2		 4iv0B-5wp5A:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6q EXOSOME COMPLEX
COMPONENT RRP4

(Homo sapiens) 		no annotation 5 ILE H 141
GLY H 218
GLY H 164
MET H 113
ILE H 220
 None
 1.13A 4iv0B-6d6qH:
undetectable		 4iv0B-6d6qH:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 5 GLY A 837
GLY A 839
ILE A 865
ASP A 889
ILE A 890
 SAH  A1102 (-3.5A)
SAH  A1102 (-3.4A)
SAH  A1102 (-3.6A)
SAH  A1102 (-3.5A)
SAH  A1102 (-4.4A)
 0.94A 4iv0B-6d6yA:
15.2		 4iv0B-6d6yA:
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 5 ILE C  95
GLY C  96
ILE C 102
MET C 124
ILE C 105
 None
 1.11A 4iv0B-6f0kC:
undetectable		 4iv0B-6f0kC:
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 5 GLY A 137
GLY A 139
ASP A 187
ILE A 188
HIS A 208
 SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
SAH  A 501 (-4.2A)
SAH  A 501 (-3.9A)
SAH  A 501 ( 4.6A)
 0.70A 4iv0B-6gkvA:
22.5		 4iv0B-6gkvA:
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 5 TYR A  81
GLY A 137
GLY A 139
ASP A 187
HIS A 208
 SAH  A 501 (-3.6A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.1A)
SAH  A 501 (-4.2A)
SAH  A 501 ( 4.6A)
 0.89A 4iv0B-6gkvA:
22.5		 4iv0B-6gkvA:
undetectable