SIMILAR PATTERNS OF AMINO ACIDS FOR 6B58_A_ACTA609_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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		3 HIS A  83
HIS A  84
ARG A 101
 None
ZN  A 404 (-3.2A)
None
 1.13A 6b58A-1b4eA:
undetectable		 6b58A-1b4eA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		3 HIS A 364
HIS A 503
ARG A 544
 FUM  A 700 (-4.7A)
FUM  A 700 ( 4.1A)
FUM  A 700 ( 3.0A)
 0.47A 6b58A-1d4eA:
32.3		 6b58A-1d4eA:
22.93
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.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		3 HIS A 496
HIS A 489
ARG A 242
 None
FAD  A 600 ( 4.6A)
None
 1.09A 6b58A-1f0xA:
undetectable		 6b58A-1f0xA:
21.60
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		3 HIS A 207
HIS A 208
ARG A 204
 None
None
SO4  A 610 (-2.8A)
 1.13A 6b58A-1gnxA:
undetectable		 6b58A-1gnxA:
23.52
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.
1h59 INSULIN-LIKE GROWTH
FACTOR BINDING
PROTEIN 5

(Homo sapiens) 		no annotation 3 HIS B  71
HIS B  75
ARG B  77
 None
 1.05A 6b58A-1h59B:
undetectable		 6b58A-1h59B:
7.18
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		3 HIS A 216
HIS A  12
ARG A  51
 None
PO4  A1001 (-3.9A)
PO4  A1001 ( 4.9A)
 1.01A 6b58A-1ixpA:
undetectable		 6b58A-1ixpA:
19.51
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.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 HIS A 320
HIS A 348
ARG A 349
 None
 1.02A 6b58A-1j6uA:
5.0		 6b58A-1j6uA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		3 HIS A 297
HIS A 342
ARG A 435
 None
 0.94A 6b58A-1kwgA:
undetectable		 6b58A-1kwgA:
22.40
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.
1lme PEPTIDE DEFORMYLASE

(Thermotoga
maritima) 		PF01327
(Pep_deformylase) 		3 HIS A 133
HIS A 129
ARG A  99
 OCS  A  87 ( 4.0A)
OCS  A  87 ( 3.9A)
None
 1.13A 6b58A-1lmeA:
undetectable		 6b58A-1lmeA:
15.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lqw PEPTIDE DEFORMYLASE
PDF1

(Staphylococcus
aureus) 		PF01327
(Pep_deformylase) 		3 HIS A 158
HIS A 154
ARG A 124
 ZN  A 202 (-3.7A)
ZN  A 202 (-3.7A)
None
 1.14A 6b58A-1lqwA:
undetectable		 6b58A-1lqwA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		3 HIS A 260
HIS A 117
ARG A 292
 None
None
SO4  A 563 (-3.8A)
 1.10A 6b58A-1lxtA:
undetectable		 6b58A-1lxtA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		3 HIS A 206
HIS A  51
ARG A  52
 None
 1.03A 6b58A-1nt2A:
3.5		 6b58A-1nt2A:
16.29
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 HIS A  66
HIS A 339
ARG A 261
 None
2PG  A 801 ( 4.7A)
2PG  A 801 (-2.9A)
 1.03A 6b58A-1o99A:
undetectable		 6b58A-1o99A:
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.
1otw COENZYME PQQ
SYNTHESIS PROTEIN C

(Klebsiella
pneumoniae) 		PF03070
(TENA_THI-4) 		3 HIS A  30
HIS A  24
ARG A  50
 None
PQQ  A 500 (-3.7A)
PQQ  A 500 (-2.5A)
 1.13A 6b58A-1otwA:
undetectable		 6b58A-1otwA:
18.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 HIS A 257
HIS A 369
ARG A 404
 FUM  A1657 (-4.0A)
FUM  A1657 ( 3.7A)
FUM  A1657 ( 2.7A)
 0.37A 6b58A-1qlbA:
44.1		 6b58A-1qlbA:
35.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qo8 FLAVOCYTOCHROME C3
FUMARATE REDUCTASE

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		3 HIS A 360
HIS A 499
ARG A 539
 None
FAD  A 605 (-4.1A)
FAD  A 605 (-4.3A)
 0.73A 6b58A-1qo8A:
32.8		 6b58A-1qo8A:
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 HIS A  66
HIS A 100
ARG A  91
 TPP  A1671 (-3.8A)
None
None
 1.02A 6b58A-1r9jA:
2.9		 6b58A-1r9jA:
22.97
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.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		3 HIS A  84
HIS A  82
ARG A  76
 None
 1.01A 6b58A-1tkiA:
undetectable		 6b58A-1tkiA:
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.
1vey PEPTIDE DEFORMYLASE

(Leptospira
interrogans) 		PF01327
(Pep_deformylase) 		3 HIS A 147
HIS A 143
ARG A 113
 ZN  A1513 (-3.6A)
ZN  A1513 (-3.8A)
None
 1.10A 6b58A-1veyA:
undetectable		 6b58A-1veyA:
15.46
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.
1x9e HMG-COA SYNTHASE

(Enterococcus
faecalis) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		3 HIS A 128
HIS A 124
ARG A 103
 None
 1.10A 6b58A-1x9eA:
undetectable		 6b58A-1x9eA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yjk PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01082
(Cu2_monooxygen)
PF03712
(Cu2_monoox_C) 		3 HIS A 244
HIS A 245
ARG A 300
 CU  A 358 (-3.2A)
None
None
 1.05A 6b58A-1yjkA:
undetectable		 6b58A-1yjkA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dgd 223AA LONG
HYPOTHETICAL
ARYLMALONATE
DECARBOXYLASE

(Sulfurisphaera
tokodaii) 		no annotation 3 HIS A  81
HIS A  83
ARG A  87
 None
 0.74A 6b58A-2dgdA:
undetectable		 6b58A-2dgdA:
17.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 HIS A 212
HIS A 313
ARG A 348
 None
FAD  A1002 (-4.2A)
CL  A2001 ( 3.2A)
 0.34A 6b58A-2e5vA:
43.9		 6b58A-2e5vA:
32.13
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		3 HIS A1228
HIS A1223
ARG A1125
 None
 0.98A 6b58A-2ec5A:
3.9		 6b58A-2ec5A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ew7 PEPTIDE DEFORMYLASE

(Helicobacter
pylori) 		PF01327
(Pep_deformylase) 		3 HIS A 142
HIS A 138
ARG A 108
 CO  A 300 (-3.3A)
CO  A 300 (-3.3A)
None
 1.11A 6b58A-2ew7A:
undetectable		 6b58A-2ew7A:
17.00
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		3 HIS A 419
HIS A 415
ARG A 466
 None
 1.12A 6b58A-2f5vA:
15.9		 6b58A-2f5vA:
19.54
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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 HIS A 176
HIS A 174
ARG A 226
 None
 1.03A 6b58A-2gskA:
undetectable		 6b58A-2gskA:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 HIS A 253
HIS A 364
ARG A 408
 TEO  A1002 (-4.0A)
TEO  A1002 ( 3.8A)
TEO  A1002 ( 2.8A)
 0.56A 6b58A-2h88A:
45.2		 6b58A-2h88A:
39.53
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 HIS A 192
HIS A 855
ARG A 612
 ACT  A1978 ( 3.9A)
MGD  A1986 ( 3.6A)
MD1  A1987 (-2.8A)
 1.03A 6b58A-2ivfA:
undetectable		 6b58A-2ivfA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iw0 CHITIN DEACETYLASE

(Colletotrichum
lindemuthianum) 		PF01522
(Polysacc_deac_1) 		3 HIS A 251
HIS A 254
ARG A 124
 PO4  A1260 (-3.9A)
PO4  A1260 (-3.9A)
PO4  A1260 ( 3.5A)
 1.02A 6b58A-2iw0A:
2.6		 6b58A-2iw0A:
16.24
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.
2l3w PHYCOBILISOME ROD
LINKER POLYPEPTIDE

(Synechococcus
elongatus) 		PF00427
(PBS_linker_poly) 		3 HIS A 138
HIS A 139
ARG A  23
 None
 1.08A 6b58A-2l3wA:
undetectable		 6b58A-2l3wA:
14.21
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.
2l9f CALE8

(Micromonospora
echinospora) 		no annotation 3 HIS A 100
HIS A  98
ARG A  60
 None
 0.99A 6b58A-2l9fA:
undetectable		 6b58A-2l9fA:
11.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lc4 PILP PROTEIN

(Pseudomonas
aeruginosa) 		PF04351
(PilP) 		3 HIS A 110
HIS A 111
ARG A  64
 None
 1.07A 6b58A-2lc4A:
undetectable		 6b58A-2lc4A:
12.84
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.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		3 HIS A 122
HIS A 125
ARG A 116
 None
None
SO4  A 709 ( 3.4A)
 0.87A 6b58A-2o8rA:
4.8		 6b58A-2o8rA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2os1 PEPTIDE DEFORMYLASE

(Enterococcus
faecalis) 		PF01327
(Pep_deformylase) 		3 HIS A 161
HIS A 157
ARG A 127
 NI  A 300 ( 3.5A)
NI  A 300 ( 3.5A)
None
 1.11A 6b58A-2os1A:
undetectable		 6b58A-2os1A:
17.93
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.
2os3 PEPTIDE DEFORMYLASE

(Streptococcus
pyogenes) 		PF01327
(Pep_deformylase) 		3 HIS A 178
HIS A 174
ARG A 144
 CO  A 300 ( 3.4A)
CO  A 300 ( 3.6A)
None
 1.10A 6b58A-2os3A:
undetectable		 6b58A-2os3A:
15.64
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		3 HIS A 453
HIS A 454
ARG A 514
 None
 0.85A 6b58A-2q1fA:
3.2		 6b58A-2q1fA:
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.
2wpw ORF14

(Streptomyces
clavuligerus) 		PF00583
(Acetyltransf_1) 		3 HIS A 275
HIS A 272
ARG A 273
 None
 1.14A 6b58A-2wpwA:
undetectable		 6b58A-2wpwA:
22.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 HIS A 242
HIS A 354
ARG A 399
 TEO  A1589 (-3.9A)
TEO  A1589 ( 3.8A)
TEO  A1589 (-2.9A)
 0.49A 6b58A-2wu5A:
46.1		 6b58A-2wu5A:
42.95
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.
2wwe PHOSPHOINOSITIDE-3-K
INASE, CLASS 2,
GAMMA POLYPEPTIDE

(Homo sapiens) 		PF00787
(PX) 		3 HIS A1262
HIS A1265
ARG A1274
 None
 1.05A 6b58A-2wweA:
undetectable		 6b58A-2wweA:
11.40
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.
2xua 3-OXOADIPATE
ENOL-LACTONASE

(Paraburkholderia
xenovorans) 		PF12146
(Hydrolase_4) 		3 HIS A  65
HIS A  15
ARG A  17
 None
 0.92A 6b58A-2xuaA:
undetectable		 6b58A-2xuaA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zyi LIPASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF00561
(Abhydrolase_1) 		3 HIS A 464
HIS A 314
ARG A 275
 None
 1.00A 6b58A-2zyiA:
undetectable		 6b58A-2zyiA:
22.96
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.
3bo6 HYDROPHILIC PROTEIN,
VIRA PROTEIN

(Chromobacterium
violaceum) 		PF03536
(VRP3) 		3 HIS A  38
HIS A  41
ARG A  45
 None
 0.83A 6b58A-3bo6A:
undetectable		 6b58A-3bo6A:
17.31
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.
3d3b 30S RIBOSOMAL
PROTEIN S10

(Escherichia
coli) 		PF00338
(Ribosomal_S10) 		3 HIS J  15
HIS J  49
ARG J  51
 None
 0.98A 6b58A-3d3bJ:
undetectable		 6b58A-3d3bJ:
9.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fcj NITROALKANE OXIDASE

(Fusarium
oxysporum) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		3 HIS A  55
HIS A  16
ARG A  15
 None
 1.10A 6b58A-3fcjA:
3.0		 6b58A-3fcjA:
22.39
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.
3fwx PEPTIDE DEFORMYLASE

(Vibrio cholerae) 		PF01327
(Pep_deformylase) 		3 HIS A 137
HIS A 133
ARG A 103
 ZN  A 170 (-3.1A)
ZN  A 170 (-3.3A)
None
 1.10A 6b58A-3fwxA:
undetectable		 6b58A-3fwxA:
14.21
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		3 HIS B 994
HIS B 693
ARG B 870
 None
 0.91A 6b58A-3hkzB:
undetectable		 6b58A-3hkzB:
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.
3i05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF00579
(tRNA-synt_1b) 		3 HIS A  87
HIS A  90
ARG A  79
 None
 0.85A 6b58A-3i05A:
undetectable		 6b58A-3i05A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 HIS B  79
HIS B 360
ARG B 282
 None
3PG  B 564 ( 4.2A)
3PG  B 564 ( 2.8A)
 1.06A 6b58A-3igzB:
undetectable		 6b58A-3igzB:
21.67
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.
3l84 TRANSKETOLASE

(Campylobacter
jejuni) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 HIS A  67
HIS A 101
ARG A  92
 None
 1.04A 6b58A-3l84A:
2.3		 6b58A-3l84A:
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.
3l87 PEPTIDE DEFORMYLASE

(Streptococcus
mutans) 		PF01327
(Pep_deformylase) 		3 HIS A 178
HIS A 174
ARG A 144
 FE  A 205 (-3.8A)
FE  A 205 (-3.5A)
None
 1.09A 6b58A-3l87A:
undetectable		 6b58A-3l87A:
17.18
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 HIS A  68
HIS A 102
ARG A  93
 TDP  A 701 (-4.0A)
None
None
 1.00A 6b58A-3m49A:
4.0		 6b58A-3m49A:
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.
3m6m RPFF PROTEIN

(Xanthomonas
campestris) 		PF00378
(ECH_1) 		3 HIS A 115
HIS A 118
ARG A 240
 None
 0.95A 6b58A-3m6mA:
undetectable		 6b58A-3m6mA:
20.73
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.
3m6q PEPTIDE DEFORMYLASE
1B

(Arabidopsis
thaliana) 		PF01327
(Pep_deformylase) 		3 HIS A 137
HIS A 133
ARG A 103
 ZN  A 195 ( 3.4A)
ZN  A 195 ( 3.3A)
None
 1.14A 6b58A-3m6qA:
undetectable		 6b58A-3m6qA:
17.41
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.
3mkr COATOMER SUBUNIT
EPSILON

(Bos taurus) 		PF04733
(Coatomer_E) 		3 HIS A 284
HIS A 281
ARG A  64
 None
 1.15A 6b58A-3mkrA:
undetectable		 6b58A-3mkrA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtq PUTATIVE
PHOSPHOENOLPYRUVATE-
DEPENDENT SUGAR
PHOSPHOTRANSFERASE
SYSTEM (PTS)
PERMEASE

(Klebsiella
pneumoniae) 		PF03610
(EIIA-man) 		3 HIS A   4
HIS A  32
ARG A  54
 None
 0.99A 6b58A-3mtqA:
undetectable		 6b58A-3mtqA:
13.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 HIS A 232
HIS A 355
ARG A 390
 3NP  A 602 (-4.7A)
FAD  A 601 (-4.3A)
FAD  A 601 ( 3.2A)
 0.60A 6b58A-3p4sA:
63.5		 6b58A-3p4sA:
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.
3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Clostridium
aminobutyricum) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		3 HIS A 296
HIS A 103
ARG A 342
 None
 0.64A 6b58A-3qdqA:
undetectable		 6b58A-3qdqA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s4l CAS3 METAL DEPENDENT
PHOSPHOHYDROLASE

(Methanocaldococcus
jannaschii) 		no annotation 3 HIS A 123
HIS A 124
ARG A  90
 CA  A 501 (-3.5A)
CA  A 501 (-3.4A)
None
 1.09A 6b58A-3s4lA:
undetectable		 6b58A-3s4lA:
17.63
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		3 HIS A  98
HIS A  99
ARG A  65
 None
 0.69A 6b58A-3s51A:
6.2		 6b58A-3s51A:
18.38
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.
3skd PUTATIVE
UNCHARACTERIZED
PROTEIN TTHB187

(Thermus
thermophilus) 		no annotation 3 HIS A  24
HIS A  19
ARG A 218
 NI  A 261 (-3.5A)
None
None
 0.92A 6b58A-3skdA:
undetectable		 6b58A-3skdA:
18.72
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		3 HIS A 128
HIS A 124
ARG A 103
 None
 0.91A 6b58A-3sqzA:
undetectable		 6b58A-3sqzA:
20.88
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		3 HIS A 302
HIS A 356
ARG A  45
 GOL  A 457 (-3.7A)
GOL  A 457 (-4.2A)
None
 0.91A 6b58A-3t1iA:
undetectable		 6b58A-3t1iA:
20.14
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.
3to9 HISTONE
ACETYLTRANSFERASE
ESA1

(Saccharomyces
cerevisiae) 		PF01853
(MOZ_SAS) 		3 HIS A 222
HIS A 284
ARG A 230
 None
SO4  A 508 (-4.3A)
SO4  A 508 (-3.1A)
 1.10A 6b58A-3to9A:
undetectable		 6b58A-3to9A:
18.54
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.
3uss PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF05995
(CDO_I) 		3 HIS A 142
HIS A  89
ARG A 168
 FE2  A 212 (-3.3A)
FE2  A 212 ( 3.2A)
SO4  A 215 (-2.9A)
 0.97A 6b58A-3ussA:
undetectable		 6b58A-3ussA:
16.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		3 HIS A 276
HIS A 387
ARG A 432
 FUM  A 701 (-4.3A)
FUM  A 701 ( 3.6A)
FUM  A 701 ( 2.3A)
 0.83A 6b58A-3vrbA:
50.4		 6b58A-3vrbA:
38.02
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		3 HIS A 600
HIS A 707
ARG A 692
 None
 0.98A 6b58A-3wqyA:
3.0		 6b58A-3wqyA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zgq INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 5

(Homo sapiens) 		PF07719
(TPR_2)
PF13181
(TPR_8)
PF13374
(TPR_10)
PF13424
(TPR_12) 		3 HIS A 398
HIS A 399
ARG A 362
 None
 1.02A 6b58A-3zgqA:
4.8		 6b58A-3zgqA:
21.66
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.
3zjk BETA GLYCOSIDASE

(Thermus
thermophilus) 		PF00232
(Glyco_hydro_1) 		3 HIS A 193
HIS A 194
ARG A 190
 None
 1.09A 6b58A-3zjkA:
undetectable		 6b58A-3zjkA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		3 HIS A  62
HIS A 182
ARG A 183
 ZN  A1364 (-3.5A)
ZN  A1364 ( 3.5A)
PO4  A1365 (-2.8A)
 1.12A 6b58A-3zwfA:
undetectable		 6b58A-3zwfA:
21.96
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 HIS B2071
HIS B2072
ARG B1965
 None
 1.01A 6b58A-4bedB:
undetectable		 6b58A-4bedB:
15.52
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.
4by2 ANASTRAL SPINDLE 2,
SAS 4

(Drosophila
melanogaster) 		PF07202
(Tcp10_C) 		3 HIS A 154
HIS A 144
ARG A 146
 None
 1.04A 6b58A-4by2A:
undetectable		 6b58A-4by2A:
19.54
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.
4erc DUAL SPECIFICITY
PROTEIN PHOSPHATASE
23

(Homo sapiens) 		PF00782
(DSPc) 		3 HIS A  38
HIS A  59
ARG A  76
 None
 0.78A 6b58A-4ercA:
undetectable		 6b58A-4ercA:
14.91
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.
4k6j WINGS APART-LIKE
PROTEIN HOMOLOG

(Homo sapiens) 		PF07814
(WAPL) 		3 HIS A 712
HIS A 713
ARG A 674
 None
 1.03A 6b58A-4k6jA:
3.2		 6b58A-4k6jA:
20.73
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		3 HIS A 320
HIS A 299
ARG A 275
 None
 0.82A 6b58A-4kt1A:
undetectable		 6b58A-4kt1A:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		3 HIS A 261
HIS A 239
ARG A  49
 None
 0.99A 6b58A-4nv0A:
2.3		 6b58A-4nv0A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		3 HIS A 697
HIS A 700
ARG A 704
 None
 1.02A 6b58A-4q2cA:
undetectable		 6b58A-4q2cA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 HIS A 166
HIS A 419
ARG A 417
 None
 0.76A 6b58A-4q73A:
3.0		 6b58A-4q73A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rer 5'-AMP-ACTIVATED
PROTEIN KINASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00571
(CBS) 		3 HIS G 151
HIS G 298
ARG G 299
 AMP  G 401 ( 3.4A)
AMP  G 403 ( 3.9A)
AMP  G 402 (-3.9A)
 1.05A 6b58A-4rerG:
undetectable		 6b58A-4rerG:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zke SUPERKILLER PROTEIN
7

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU) 		3 HIS A 573
HIS A 566
ARG A 634
 HIS  A 573 ( 1.0A)
HIS  A 566 ( 1.0A)
ARG  A 634 ( 0.6A)
 1.11A 6b58A-4zkeA:
undetectable		 6b58A-4zkeA:
20.33
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.
5a9a POLYHEDRIN

(Simulium
ubiquitum
cypovirus) 		PF17515
(CPV_Polyhedrin) 		3 HIS A  95
HIS A  96
ARG A  78
 UTP  A1245 (-4.7A)
UTP  A1245 (-4.0A)
UTP  A1245 (-3.0A)
 1.14A 6b58A-5a9aA:
undetectable		 6b58A-5a9aA:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST

(Pseudomonas
aeruginosa) 		no annotation 3 HIS A 513
HIS A 511
ARG A 535
 None
 1.02A 6b58A-5b7iA:
undetectable		 6b58A-5b7iA:
19.20
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.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		3 HIS A 390
HIS A 393
ARG A 397
 None
 0.98A 6b58A-5cniA:
2.2		 6b58A-5cniA:
23.65
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.
5cx0 PEPTIDE DEFORMYLASE

(Xanthomonas
oryzae) 		PF01327
(Pep_deformylase) 		3 HIS A 145
HIS A 141
ARG A 111
 CD  A 201 (-3.5A)
CD  A 201 ( 3.5A)
None
 1.12A 6b58A-5cx0A:
undetectable		 6b58A-5cx0A:
15.05
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 3 HIS B  99
HIS B 102
ARG B 222
 None
 0.70A 6b58A-5cyrB:
undetectable		 6b58A-5cyrB:
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		3 HIS A 238
HIS A 242
ARG A 312
 ZN  A2001 (-3.6A)
SO4  A2002 (-4.2A)
SO4  A2002 (-2.7A)
 1.05A 6b58A-5fb3A:
2.2		 6b58A-5fb3A:
20.42
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		3 HIS A 169
HIS A 138
ARG A 135
 None
 1.10A 6b58A-5gkqA:
undetectable		 6b58A-5gkqA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		3 HIS A 281
HIS A 435
ARG A 477
 SIN  A 601 (-4.3A)
SIN  A 601 ( 4.1A)
SIN  A 601 ( 2.9A)
 0.52A 6b58A-5glgA:
30.4		 6b58A-5glgA:
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.
5i2b PEPTIDE DEFORMYLASE

(Burkholderia
ambifaria) 		PF01327
(Pep_deformylase) 		3 HIS A 145
HIS A 141
ARG A 111
 ZN  A 201 ( 3.5A)
BB2  A 202 ( 2.4A)
EDO  A 203 ( 4.7A)
 1.13A 6b58A-5i2bA:
undetectable		 6b58A-5i2bA:
17.71
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 HIS A  66
HIS A 100
ARG A  91
 TPP  A 701 ( 3.5A)
F6R  A 702 (-3.9A)
F6R  A 702 ( 4.8A)
 0.97A 6b58A-5i51A:
undetectable		 6b58A-5i51A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kob PEPTIDE DEFORMYLASE

(Paraburkholderia
xenovorans) 		PF01327
(Pep_deformylase) 		3 HIS A 145
HIS A 141
ARG A 111
 FE2  A 201 (-3.4A)
FE2  A 201 (-3.3A)
None
 1.13A 6b58A-5kobA:
undetectable		 6b58A-5kobA:
16.17
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.
5nd5 TRANSKETOLASE

(Chlamydomonas
reinhardtii) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 HIS A 117
HIS A 152
ARG A 143
 TPP  A 801 (-3.9A)
None
None
 1.04A 6b58A-5nd5A:
3.6		 6b58A-5nd5A:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Mycobacterium
tuberculosis) 		no annotation 3 HIS A 135
HIS A 133
ARG A 214
 None
PDC  A 301 (-4.0A)
None
 1.14A 6b58A-5tjzA:
3.3		 6b58A-5tjzA:
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.
5u30 CRISPR-ASSOCIATED
ENDONUCLEASE C2C1

(Alicyclobacillus
acidoterrestris) 		no annotation 3 HIS A 490
HIS A 492
ARG A 494
 G  B  52 ( 3.8A)
G  B  53 ( 3.5A)
G  B  53 ( 3.6A)
 0.75A 6b58A-5u30A:
3.2		 6b58A-5u30A:
19.66
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.
5uam ULVAN LYASE-PL25

(Pseudoalteromonas
sp. PLSV) 		PF15892
(BNR_4) 		3 HIS A 158
HIS A 143
ARG A 204
 EDO  A 509 (-2.9A)
EDO  A 509 ( 3.5A)
PO4  A 503 ( 3.0A)
 0.87A 6b58A-5uamA:
undetectable		 6b58A-5uamA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2

(Arabidopsis
thaliana) 		no annotation 3 HIS A 266
HIS A 267
ARG A 276
 ZN  A 401 ( 3.3A)
None
None
 1.09A 6b58A-5vjwA:
undetectable		 6b58A-5vjwA:
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.
5vpu 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Acinetobacter
baumannii) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 HIS A  71
HIS A 339
ARG A 262
 None
3PG  A 603 (-4.3A)
3PG  A 603 (-3.0A)
 1.04A 6b58A-5vpuA:
undetectable		 6b58A-5vpuA:
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.
5vrf CADMIUM AND ZINC
EFFLUX PUMP FIEF

(Shewanella
oneidensis) 		no annotation 3 HIS B 285
HIS B 250
ARG B 237
 ZN  B 303 (-3.5A)
ZN  B 304 (-3.0A)
None
 0.98A 6b58A-5vrfB:
4.6		 6b58A-5vrfB:
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.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 3 HIS A 199
HIS A 200
ARG A 196
 None
None
NI  A 508 (-3.6A)
 1.08A 6b58A-5xgzA:
undetectable		 6b58A-5xgzA:
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.
5xmj FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Desulfovibrio
gigas) 		no annotation 3 HIS A 257
HIS A 369
ARG A 405
 FUM  A 702 (-3.9A)
FUM  A 702 ( 3.4A)
FUM  A 702 ( 3.0A)
 0.86A 6b58A-5xmjA:
53.8		 6b58A-5xmjA:
undetectable