SIMILAR PATTERNS OF AMINO ACIDS FOR 4MWZ_A_SAMA301_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
ILE A  69
LEU A 117
 NAI  A 302 (-3.6A)
NAI  A 302 ( 4.1A)
NAI  A 302 (-4.0A)
NAI  A 302 (-3.8A)
None
 1.04A 4mwzA-1ahiA:
7.5		 4mwzA-1ahiA:
22.38
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.
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
 0.89A 4mwzA-1cqjA:
4.3		 4mwzA-1cqjA:
22.70
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.
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 4mwzA-1dljA:
5.4		 4mwzA-1dljA:
24.52
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.
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
 1.06A 4mwzA-1fyhB:
undetectable		 4mwzA-1fyhB:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4mwzA-1gplA:
undetectable		 4mwzA-1gplA:
22.52
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.
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 4mwzA-1l9yA:
undetectable		 4mwzA-1l9yA:
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.
1miu BREAST CANCER TYPE 2
SUSCEPTIBILITY
PROTEIN

(Mus musculus) 		PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical) 		5 ILE A2509
GLY A2497
GLY A2499
SER A2404
LEU A2401
 None
 1.10A 4mwzA-1miuA:
undetectable		 4mwzA-1miuA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.73A 4mwzA-1oi7A:
4.4		 4mwzA-1oi7A:
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.
1qv9 F420-DEPENDENT
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE

(Methanopyrus
kandleri) 		PF01993
(MTD) 		5 GLY A  72
GLY A  12
MET A  44
ILE A  96
LEU A 118
 None
 1.12A 4mwzA-1qv9A:
undetectable		 4mwzA-1qv9A:
24.52
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.
1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Escherichia
coli) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 ILE A  84
GLY A  85
ILE A  79
ARG A  60
LEU A 312
 None
 1.07A 4mwzA-1sc6A:
6.3		 4mwzA-1sc6A:
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.
1txg GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Archaeoglobus
fulgidus) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ILE A 103
GLY A   9
GLY A  78
ILE A  28
ILE A  37
 None
 1.03A 4mwzA-1txgA:
5.4		 4mwzA-1txgA:
24.36
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.
1ve3 HYPOTHETICAL PROTEIN
PH0226

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		5 GLY A  48
ILE A  68
MET A  72
SER A 112
HIS A 115
 SAM  A 302 (-3.6A)
SAM  A 302 (-3.7A)
SAM  A 302 (-3.9A)
SAM  A 302 (-3.3A)
SAM  A 302 (-3.8A)
 0.76A 4mwzA-1ve3A:
19.8		 4mwzA-1ve3A:
25.27
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.
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)
 0.89A 4mwzA-1ve3A:
19.8		 4mwzA-1ve3A:
25.27
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.
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)
 0.93A 4mwzA-1w1wA:
undetectable		 4mwzA-1w1wA:
22.12
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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 GLY A 380
ILE A 442
ILE A 427
SER A 447
LEU A 347
 None
 1.04A 4mwzA-1x9nA:
undetectable		 4mwzA-1x9nA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8a HYPOTHETICAL PROTEIN
AF1437

(Archaeoglobus
fulgidus) 		no annotation 5 TYR A 193
GLY A 121
MET A   1
HIS A 124
LEU A 110
 None
 1.02A 4mwzA-1y8aA:
undetectable		 4mwzA-1y8aA:
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.
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
 1.07A 4mwzA-1zbsA:
undetectable		 4mwzA-1zbsA:
22.12
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		5 GLY A 141
GLY A 146
ILE A 139
ILE A  45
LEU A 355
 None
 1.11A 4mwzA-2b61A:
2.2		 4mwzA-2b61A:
19.63
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.
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
 1.02A 4mwzA-2fpgA:
3.5		 4mwzA-2fpgA:
21.36
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.
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
 0.90A 4mwzA-2fpgA:
3.5		 4mwzA-2fpgA:
21.36
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.
2i7t CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
73 KDA SUBUNIT

(Homo sapiens) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 ILE A  56
GLY A  42
ILE A  69
MET A  38
LEU A 107
 None
 1.08A 4mwzA-2i7tA:
undetectable		 4mwzA-2i7tA:
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 GLY B 467
GLY B 529
ARG B 482
SER B 470
LEU B 447
 None
 1.12A 4mwzA-2o8eB:
undetectable		 4mwzA-2o8eB:
13.75
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.
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 4mwzA-2pvpA:
undetectable		 4mwzA-2pvpA:
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 GLY A  39
ILE A  47
ARG A 238
HIS A  65
LEU A  64
 None
None
F2P  A 501 (-3.9A)
None
None
 1.03A 4mwzA-2qjgA:
undetectable		 4mwzA-2qjgA:
27.21
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.
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 4mwzA-2vbiA:
2.7		 4mwzA-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.
2vv8 SENSOR PROTEIN FIXL

(Bradyrhizobium
japonicum) 		PF00989
(PAS) 		5 ILE A 216
GLY A 251
GLY A 239
ILE A 159
LEU A 191
 HEM  A1258 (-4.0A)
HEM  A1258 (-3.8A)
None
HEM  A1258 (-4.0A)
HEM  A1258 (-4.2A)
 1.09A 4mwzA-2vv8A:
undetectable		 4mwzA-2vv8A:
15.87
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.
2w9m POLYMERASE X

(Deinococcus
radiodurans) 		PF14520
(HHH_5)
PF14716
(HHH_8) 		5 ILE A  62
ILE A  69
ARG A  35
SER A  39
LEU A  17
 None
 1.05A 4mwzA-2w9mA:
undetectable		 4mwzA-2w9mA:
18.17
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.
2xr4 LECTIN

(Burkholderia
cenocepacia) 		PF07472
(PA-IIL) 		5 ILE A  28
ILE A  67
ARG A  73
SER A  75
LEU A  77
 None
 0.98A 4mwzA-2xr4A:
undetectable		 4mwzA-2xr4A:
16.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 GLY A 995
ILE A 987
ILE A 988
ARG A1062
LEU A1007
 None
 1.08A 4mwzA-2xt6A:
undetectable		 4mwzA-2xt6A:
13.55
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.
2zm5 TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Escherichia
coli) 		PF01715
(IPPT) 		5 GLY A  17
GLY A 106
ILE A 283
SER A  21
LEU A 210
 None
 0.96A 4mwzA-2zm5A:
2.8		 4mwzA-2zm5A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
ILE A  92
SER A 138
HIS A 141
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-4.0A)
None
SAH  A 274 (-4.0A)
 0.89A 4mwzA-3busA:
25.4		 4mwzA-3busA:
25.43
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.
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 4mwzA-3cjpA:
undetectable		 4mwzA-3cjpA:
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.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 GLY A 171
GLY A 249
ILE A 176
ILE A 175
LEU A 195
 None
 1.03A 4mwzA-3clhA:
undetectable		 4mwzA-3clhA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 GLY A  40
GLY A  42
MET A  65
SER A 105
LEU A 109
 None
 0.51A 4mwzA-3d2lA:
17.9		 4mwzA-3d2lA:
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  50
GLY A  52
SER A 116
HIS A 119
LEU A 120
 None
 0.82A 4mwzA-3dtnA:
19.0		 4mwzA-3dtnA:
28.26
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.
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)
 1.13A 4mwzA-3e0xA:
2.4		 4mwzA-3e0xA:
25.93
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.
3e73 LANC-LIKE PROTEIN 1

(Homo sapiens) 		PF05147
(LANC_like) 		5 GLY A 375
GLY A 320
ILE A 380
SER A 371
LEU A  51
 None
 1.12A 4mwzA-3e73A:
undetectable		 4mwzA-3e73A:
18.93
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.
3elu METHYLTRANSFERASE

(Wesselsbron
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 ILE A  62
GLY A  85
ILE A 114
SER A  56
LEU A  44
 None
SAM  A4633 ( 4.3A)
None
SAM  A4633 ( 2.7A)
None
 1.12A 4mwzA-3eluA:
8.5		 4mwzA-3eluA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.40A 4mwzA-3en0A:
3.9		 4mwzA-3en0A:
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.
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
 0.93A 4mwzA-3fnkA:
undetectable		 4mwzA-3fnkA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 108
GLY A  34
GLY A 105
ILE A  31
LEU A 209
 None
None
FAD  A 522 (-3.1A)
None
None
 1.08A 4mwzA-3gdnA:
undetectable		 4mwzA-3gdnA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.09A 4mwzA-3gq9A:
undetectable		 4mwzA-3gq9A:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 4mwzA-3hd6A:
undetectable		 4mwzA-3hd6A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 245
ILE A 159
ILE A 241
ARG A 136
LEU A 132
 None
None
None
FAD  A 555 (-4.2A)
None
 0.95A 4mwzA-3icsA:
2.5		 4mwzA-3icsA:
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.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 ILE A 493
GLY A 419
GLY A 485
ILE A 421
LEU A 451
 None
 1.10A 4mwzA-3j1cA:
undetectable		 4mwzA-3j1cA:
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.
3kgk ARSENICAL RESISTANCE
OPERON TRANS-ACTING
REPRESSOR ARSD

(Escherichia
coli) 		PF06953
(ArsD) 		5 TYR A  88
GLY A  72
GLY A  86
ILE A  65
LEU A  48
 None
 1.05A 4mwzA-3kgkA:
undetectable		 4mwzA-3kgkA:
17.36
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.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		5 GLY A  43
GLY A  45
ILE A  94
HIS A 115
LEU A 116
 None
 0.89A 4mwzA-3mggA:
16.9		 4mwzA-3mggA:
25.00
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.
3mgg METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF13847
(Methyltransf_31) 		6 ILE A  46
GLY A  43
GLY A  45
ILE A  67
ILE A  94
LEU A 116
 None
 1.27A 4mwzA-3mggA:
16.9		 4mwzA-3mggA:
25.00
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.
3oyt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE I

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A  15
GLY A  50
GLY A  32
ILE A 232
LEU A 336
 None
 1.04A 4mwzA-3oytA:
undetectable		 4mwzA-3oytA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p6l SUGAR PHOSPHATE
ISOMERASE/EPIMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		5 ILE A 256
GLY A  35
ILE A  99
ILE A 101
LEU A  46
 None
 1.04A 4mwzA-3p6lA:
undetectable		 4mwzA-3p6lA:
24.13
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		5 GLY A 267
GLY A 263
ILE A 230
ILE A 168
LEU A 274
 None
 1.13A 4mwzA-3pl2A:
3.3		 4mwzA-3pl2A:
22.71
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.
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
 1.12A 4mwzA-3ptwA:
undetectable		 4mwzA-3ptwA:
23.63
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		5 ILE A 164
GLY A  97
GLY A 124
ILE A 154
LEU A 108
 None
 1.00A 4mwzA-3rhgA:
undetectable		 4mwzA-3rhgA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.08A 4mwzA-3sucA:
undetectable		 4mwzA-3sucA:
15.21
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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 ILE A 182
GLY A 128
MET A 158
ILE A 126
LEU A  97
 None
 1.09A 4mwzA-3swdA:
undetectable		 4mwzA-3swdA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tmc UNCHARACTERIZED
PROTEIN

(Bdellovibrio
bacteriovorus) 		PF13487
(HD_5) 		5 ILE A 214
GLY A 186
GLY A 216
ILE A 147
LEU A 194
 None
None
None
None
PO4  A 311 ( 4.4A)
 1.02A 4mwzA-3tmcA:
undetectable		 4mwzA-3tmcA:
24.07
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.
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 4mwzA-3to3A:
undetectable		 4mwzA-3to3A:
18.05
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.
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 4mwzA-4eb5A:
2.3		 4mwzA-4eb5A:
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 GLY A1063
GLY A1249
ILE A1066
HIS A1131
LEU A1146
 None
 1.10A 4mwzA-4fbqA:
undetectable		 4mwzA-4fbqA:
20.50
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		6 ILE A 204
GLY A 232
GLY A 234
MET A 259
ARG A 298
HIS A 303
 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)
 0.89A 4mwzA-4ineA:
36.3		 4mwzA-4ineA:
24.04
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		6 TYR A 187
ILE A 204
GLY A 232
GLY A 234
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)
None
SAH  A 501 (-4.0A)
 0.69A 4mwzA-4ineA:
36.3		 4mwzA-4ineA:
24.04
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
ILE A 109
ARG A 125
HIS A 130
LEU A 131
 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 (-4.1A)
None
SAM  A 301 (-3.9A)
None
 0.34A 4mwzA-4iv8A:
36.4		 4mwzA-4iv8A:
87.64
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) 		6 GLY A  63
CYH A  85
MET A  88
ILE A  60
HIS A 130
LEU A 131
 SAM  A 301 ( 3.9A)
BME  A 302 (-1.9A)
SAM  A 301 (-3.3A)
None
SAM  A 301 (-3.9A)
None
 1.27A 4mwzA-4iv8A:
36.4		 4mwzA-4iv8A:
87.64
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.
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
 1.00A 4mwzA-4j3bA:
undetectable		 4mwzA-4j3bA:
14.35
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.
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 4mwzA-4kriA:
36.3		 4mwzA-4kriA:
22.48
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		7 TYR A 183
ILE A 200
GLY A 228
GLY A 230
MET A 255
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)
None
SAH  A 701 (-4.2A)
 0.84A 4mwzA-4kriA:
36.3		 4mwzA-4kriA:
22.48
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) 		7 TYR A  16
GLY A  62
CYH A  84
MET A  87
ILE A  59
HIS A 129
LEU A 130
 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)
None
 1.16A 4mwzA-4mwzA:
47.3		 4mwzA-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
ILE A 108
ARG A 124
SER A 126
HIS A 129
LEU A 130
 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 (-4.0A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-3.9A)
None
 0.02A 4mwzA-4mwzA:
47.3		 4mwzA-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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 267
ILE A 183
ILE A 428
ARG A 425
LEU A 374
 None
 1.05A 4mwzA-4na3A:
undetectable		 4mwzA-4na3A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nhy 2-OXOGLUTARATE AND
IRON-DEPENDENT
OXYGENASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		5 ILE A 139
GLY A 235
ILE A 233
ILE A 167
LEU A 207
 None
None
None
PD2  A 603 ( 4.2A)
None
 1.10A 4mwzA-4nhyA:
undetectable		 4mwzA-4nhyA:
19.26
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.
4nwz FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE

(Caldalkalibacillus
thermarum) 		PF07992
(Pyr_redox_2) 		5 ILE A 296
GLY A  14
GLY A 298
ILE A  16
LEU A  35
 None
FAD  A 601 (-4.2A)
FAD  A 601 (-3.0A)
None
None
 1.10A 4mwzA-4nwzA:
3.8		 4mwzA-4nwzA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 4mwzA-4o6rA:
4.3		 4mwzA-4o6rA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.93A 4mwzA-4qdkA:
17.4		 4mwzA-4qdkA:
22.89
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) 		7 TYR A  19
ILE A  36
GLY A  63
GLY A  65
CYH A  87
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 (-4.1A)
None
 0.75A 4mwzA-4r6wA:
41.1		 4mwzA-4r6wA:
63.77
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
ILE A 111
ARG A 127
HIS A 132
LEU A 133
 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 (-4.1A)
None
SAH  A 302 (-4.3A)
None
 0.33A 4mwzA-4r6wA:
41.1		 4mwzA-4r6wA:
63.77
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.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE

(Bacillus
anthracis) 		PF03009
(GDPD) 		5 TYR A 150
GLY A 250
ILE A 282
ARG A 271
LEU A 307
 None
 1.10A 4mwzA-4r7oA:
undetectable		 4mwzA-4r7oA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4mwzA-4w8yA:
undetectable		 4mwzA-4w8yA:
16.38
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.
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 4mwzA-4wi0A:
undetectable		 4mwzA-4wi0A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xox 3-OXOACYL-ACP
SYNTHASE

(Vibrio cholerae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A  15
GLY A  50
GLY A  32
ILE A 229
LEU A 332
 None
 1.01A 4mwzA-4xoxA:
undetectable		 4mwzA-4xoxA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 4mwzA-5advA:
undetectable		 4mwzA-5advA:
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.
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
 1.10A 4mwzA-5avoA:
2.5		 4mwzA-5avoA:
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.
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
 1.10A 4mwzA-5b58A:
undetectable		 4mwzA-5b58A:
15.76
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.
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 4mwzA-5c2cA:
undetectable		 4mwzA-5c2cA:
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 ILE A  97
GLY A  68
GLY A  70
ILE A 130
LEU A 147
 None
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
None
None
 1.11A 4mwzA-5dlyA:
15.8		 4mwzA-5dlyA:
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.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		5 ILE A 109
GLY A  88
ILE A 126
ILE A 128
LEU A 141
 None
None
None
None
GOL  A 301 (-4.4A)
 1.01A 4mwzA-5dm4A:
16.2		 4mwzA-5dm4A:
24.48
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 GLY A  69
GLY A  71
ILE A  92
HIS A 140
LEU A 141
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.1A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.8A)
None
 0.56A 4mwzA-5e1bA:
18.0		 4mwzA-5e1bA:
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.
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
LEU A 271
 SAM  A 400 ( 4.1A)
SAM  A 400 (-3.3A)
SAM  A 400 (-3.9A)
SAM  A 400 (-4.3A)
None
 0.95A 4mwzA-5e72A:
14.4		 4mwzA-5e72A:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 4mwzA-5eqiA:
undetectable		 4mwzA-5eqiA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4mwzA-5g2cA:
undetectable		 4mwzA-5g2cA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hk8 PROBABLE
PHEOPHORBIDASE

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 TYR A 205
GLY A  85
GLY A  90
ILE A 108
LEU A 249
 None
 1.11A 4mwzA-5hk8A:
undetectable		 4mwzA-5hk8A:
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.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens) 		no annotation 5 GLY A 447
ILE A 418
ARG A 265
SER A 251
LEU A 254
 None
None
None
None
PRO  A 504 (-4.5A)
 1.13A 4mwzA-5mc5A:
undetectable		 4mwzA-5mc5A:
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.
5mrt LYTIC ENDOPEPTIDASE
PREPROENZYME

(Lysobacter sp.
XL1) 		no annotation 6 ILE A   7
GLY A  24
GLY A   6
ILE A 154
ILE A 191
LEU A 202
 None
 1.31A 4mwzA-5mrtA:
undetectable		 4mwzA-5mrtA:
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.
5t77 PUTATIVE LIPID II
FLIPPASE MURJ

(Thermosipho
africanus) 		PF03023
(MVIN) 		5 ILE A 160
GLY A 183
GLY A 187
ARG A  24
LEU A 171
 OLC  A 527 ( 4.7A)
OLC  A 525 ( 3.3A)
None
CL  A 501 ( 4.8A)
OLC  A 525 ( 3.9A)
 1.11A 4mwzA-5t77A:
undetectable		 4mwzA-5t77A:
20.12
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.
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 4mwzA-5verA:
3.7		 4mwzA-5verA:
23.37
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.
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
 1.05A 4mwzA-5verA:
3.7		 4mwzA-5verA:
23.37
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ILE A 239
GLY A 346
GLY A 350
ILE A  99
LEU A 140
 None
HEM  A 401 ( 3.1A)
None
None
None
 1.12A 4mwzA-5vwsA:
undetectable		 4mwzA-5vwsA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 TYR A 246
GLY A 290
GLY A 292
MET A 317
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)
None
SAH  A 703 (-4.0A)
 0.57A 4mwzA-5wp4A:
37.8		 4mwzA-5wp4A:
29.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A 290
GLY A 292
MET A 317
ARG A 355
HIS A 360
 SAH  A 501 (-3.8A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.0A)
None
SAH  A 501 (-4.0A)
 0.61A 4mwzA-5wp5A:
33.6		 4mwzA-5wp5A:
31.56
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.
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 4mwzA-6d6qH:
undetectable		 4mwzA-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.
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 4mwzA-6f0kC:
undetectable		 4mwzA-6f0kC:
undetectable