SIMILAR PATTERNS OF AMINO ACIDS FOR 4Z3O_F_MFXF101_1

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.
1cfz HYDROGENASE 2
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		4 ARG A  21
GLY A  19
GLU A  24
SER A  91
 None
None
None
CD  A 163 ( 4.3A)
 1.15A 4z3oA-1cfzA:
3.9
4z3oB-1cfzA:
4.1		 4z3oA-1cfzA:
14.44
4z3oB-1cfzA:
14.44
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.
1ct9 ASPARAGINE
SYNTHETASE B

(Escherichia
coli) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		4 ARG A  28
GLY A  31
GLU A  48
SER A 333
 None
 1.27A 4z3oA-1ct9A:
undetectable
4z3oB-1ct9A:
undetectable		 4z3oA-1ct9A:
22.97
4z3oB-1ct9A:
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.
1eke RIBONUCLEASE HII

(Methanocaldococcus
jannaschii) 		PF01351
(RNase_HII) 		4 ARG A  11
GLY A  10
GLU A   8
SER A 186
 None
 1.20A 4z3oA-1ekeA:
undetectable
4z3oB-1ekeA:
undetectable		 4z3oA-1ekeA:
15.08
4z3oB-1ekeA:
15.08
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 ARG A 257
GLY A 259
GLU A 107
SER A 283
 None
 1.21A 4z3oA-1fcdA:
undetectable
4z3oB-1fcdA:
undetectable		 4z3oA-1fcdA:
20.59
4z3oB-1fcdA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gtk PORPHOBILINOGEN
DEAMINASE

(Escherichia
coli) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 ARG A 131
GLY A 199
GLU A 102
SER A 129
 DPM  A 315 (-4.0A)
DPM  A 315 (-4.3A)
None
DPM  A 315 (-2.7A)
 1.18A 4z3oA-1gtkA:
undetectable
4z3oB-1gtkA:
undetectable		 4z3oA-1gtkA:
19.67
4z3oB-1gtkA:
19.67
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.
1gud D-ALLOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 ARG A 152
GLY A 148
GLU A 149
SER A 283
 None
 1.12A 4z3oA-1gudA:
3.5
4z3oB-1gudA:
3.7		 4z3oA-1gudA:
18.75
4z3oB-1gudA:
18.75
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.
1h17 FORMATE
ACETYLTRANSFERASE 1

(Escherichia
coli) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ARG A 174
GLY A 175
GLU A 507
SER A 602
 None
 1.03A 4z3oA-1h17A:
undetectable
4z3oB-1h17A:
undetectable		 4z3oA-1h17A:
23.67
4z3oB-1h17A:
23.67
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.
1h8l CARBOXYPEPTIDASE
GP180 RESIDUES
503-882

(Lophonetta
specularioides) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 ARG A  81
GLY A  80
GLU A  82
SER A 177
 None
 1.17A 4z3oA-1h8lA:
3.7
4z3oB-1h8lA:
3.9		 4z3oA-1h8lA:
19.61
4z3oB-1h8lA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ARG A  62
GLY A  58
GLU A  59
SER A 347
 None
 1.06A 4z3oA-1jctA:
undetectable
4z3oB-1jctA:
undetectable		 4z3oA-1jctA:
20.41
4z3oB-1jctA:
20.41
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 ARG A 313
GLY A 311
GLU A 329
SER A  89
 SO4  A 483 (-2.9A)
None
None
None
 1.15A 4z3oA-1k7hA:
undetectable
4z3oB-1k7hA:
undetectable		 4z3oA-1k7hA:
21.35
4z3oB-1k7hA:
21.35
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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 ARG A  58
ARG A  42
GLY A  41
GLU A  36
 None
 1.18A 4z3oA-1mjfA:
undetectable
4z3oB-1mjfA:
undetectable		 4z3oA-1mjfA:
17.17
4z3oB-1mjfA:
17.17
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.
1mt0 HEMOLYSIN SECRETION
ATP-BINDING PROTEIN

(Escherichia
coli) 		PF00005
(ABC_tran) 		4 ARG A 672
GLY A 499
GLU A 496
SER A 506
 None
None
None
SO4  A 708 (-3.0A)
 1.23A 4z3oA-1mt0A:
undetectable
4z3oB-1mt0A:
undetectable		 4z3oA-1mt0A:
17.80
4z3oB-1mt0A:
17.80
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.
1pci PROCARICAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 ARG A 112
GLY A 111
GLU A  98
SER A  29
 None
 1.03A 4z3oA-1pciA:
undetectable
4z3oB-1pciA:
undetectable		 4z3oA-1pciA:
17.18
4z3oB-1pciA:
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.
1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 ARG A 132
GLY A 131
GLU A 196
SER A 108
 A3P  A 352 (-3.2A)
None
None
None
 1.16A 4z3oA-1q1qA:
undetectable
4z3oB-1q1qA:
undetectable		 4z3oA-1q1qA:
17.75
4z3oB-1q1qA:
17.75
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 ARG A 147
GLY A 146
GLU A 211
SER A 123
 A3P  A 314 (-3.0A)
None
None
None
 1.21A 4z3oA-1q20A:
1.7
4z3oB-1q20A:
undetectable		 4z3oA-1q20A:
17.33
4z3oB-1q20A:
17.33
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.
1sng COG4826: SERINE
PROTEASE INHIBITOR

(Thermobifida
fusca) 		PF00079
(Serpin) 		4 ARG A 114
ARG A 126
GLY A 124
GLU A 123
 None
 1.15A 4z3oA-1sngA:
undetectable
4z3oB-1sngA:
undetectable		 4z3oA-1sngA:
20.51
4z3oB-1sngA:
20.51
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		4 ARG A  97
GLY A 239
GLU A 101
SER A  38
 None
 1.28A 4z3oA-1t3iA:
undetectable
4z3oB-1t3iA:
undetectable		 4z3oA-1t3iA:
20.32
4z3oB-1t3iA:
20.32
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.
1ve2 UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00590
(TP_methylase) 		4 ARG A  94
GLY A  95
GLU A  97
SER A 117
 None
 0.88A 4z3oA-1ve2A:
2.1
4z3oB-1ve2A:
2.3		 4z3oA-1ve2A:
15.09
4z3oB-1ve2A:
15.09
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.
1wdj HYPOTHETICAL PROTEIN
TT1808

(Thermus
thermophilus) 		PF05685
(Uma2) 		4 ARG A  48
GLY A  46
GLU A  44
SER A  84
 None
 1.26A 4z3oA-1wdjA:
undetectable
4z3oB-1wdjA:
undetectable		 4z3oA-1wdjA:
14.54
4z3oB-1wdjA:
14.54
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.
1ybw HEPATOCYTE GROWTH
FACTOR ACTIVATOR
PRECURSOR

(Homo sapiens) 		PF00089
(Trypsin) 		4 ARG A 624
GLY A 621
GLU A 545
SER A 494
 None
 0.91A 4z3oA-1ybwA:
undetectable
4z3oB-1ybwA:
undetectable		 4z3oA-1ybwA:
18.91
4z3oB-1ybwA:
18.91
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.
1zwm GAMMA CRYSTALLIN S

(Mus musculus) 		PF00030
(Crystall) 		4 ARG A  71
ARG A  40
GLY A  64
GLU A  42
 None
 1.02A 4z3oA-1zwmA:
undetectable
4z3oB-1zwmA:
undetectable		 4z3oA-1zwmA:
12.80
4z3oB-1zwmA:
12.80
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.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		4 ARG A 196
ARG A 216
GLY A 220
GLU A 219
 None
 0.99A 4z3oA-2b4eA:
undetectable
4z3oB-2b4eA:
undetectable		 4z3oA-2b4eA:
19.42
4z3oB-2b4eA:
19.42
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.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 ARG H 288
GLY H 234
GLU H 253
SER H 297
 None
 1.09A 4z3oA-2bbkH:
undetectable
4z3oB-2bbkH:
undetectable		 4z3oA-2bbkH:
19.24
4z3oB-2bbkH:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ARG A 498
GLY A 485
GLU A 577
SER A 321
 None
 1.27A 4z3oA-2bklA:
2.4
4z3oB-2bklA:
2.0		 4z3oA-2bklA:
22.75
4z3oB-2bklA:
22.75
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.
2d8d PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE/CHORISMATE
MUTASE

(Thermus
thermophilus) 		PF01817
(CM_2) 		4 ARG A  26
ARG A  71
GLU A  68
SER A  81
 None
 1.22A 4z3oA-2d8dA:
undetectable
4z3oB-2d8dA:
undetectable		 4z3oA-2d8dA:
9.38
4z3oB-2d8dA:
9.38
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.
2dnm SRP46 SPLICING
FACTOR

(Homo sapiens) 		PF00076
(RRM_1) 		4 ARG A  66
ARG A  39
GLY A  38
GLU A  35
 None
 1.29A 4z3oA-2dnmA:
3.5
4z3oB-2dnmA:
3.5		 4z3oA-2dnmA:
10.88
4z3oB-2dnmA:
10.88
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.
2fwv HYPOTHETICAL PROTEIN
MTUBF_01000852

(Mycobacterium
tuberculosis) 		PF08768
(DUF1794) 		4 ARG A  82
ARG A  89
GLY A  79
GLU A  78
 None
 0.94A 4z3oA-2fwvA:
undetectable
4z3oB-2fwvA:
undetectable		 4z3oA-2fwvA:
15.64
4z3oB-2fwvA:
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.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Anabaena sp.) 		PF05996
(Fe_bilin_red) 		4 ARG A 176
GLY A 175
GLU A 179
SER A 166
 None
 1.21A 4z3oA-2g18A:
undetectable
4z3oB-2g18A:
undetectable		 4z3oA-2g18A:
17.80
4z3oB-2g18A:
17.80
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.
2gw3 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		4 ARG A  66
GLY A  36
GLU A 212
SER A   2
 CR8  A  63 ( 3.0A)
None
CR8  A  63 ( 3.6A)
None
 1.24A 4z3oA-2gw3A:
undetectable
4z3oB-2gw3A:
undetectable		 4z3oA-2gw3A:
14.85
4z3oB-2gw3A:
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.
2gw4 KAEDE

(Trachyphyllia
geoffroyi) 		PF01353
(GFP) 		4 ARG B  66
GLY A  36
GLU B 212
SER A   2
 RC7  B  63 ( 3.0A)
None
RC7  B  63 ( 3.5A)
None
 1.25A 4z3oA-2gw4B:
undetectable
4z3oB-2gw4B:
undetectable		 4z3oA-2gw4B:
11.73
4z3oB-2gw4B:
11.73
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.
2lgw DNAJ HOMOLOG
SUBFAMILY B MEMBER 2

(Homo sapiens) 		PF00226
(DnaJ) 		4 ARG A  67
GLY A  69
GLU A  71
SER A   3
 None
 0.98A 4z3oA-2lgwA:
undetectable
4z3oB-2lgwA:
undetectable		 4z3oA-2lgwA:
9.70
4z3oB-2lgwA:
9.70
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.
2o0y TRANSCRIPTIONAL
REGULATOR

(Rhodococcus sp.) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		4 ARG A 245
ARG A 190
GLY A 189
GLU A 187
 None
 1.16A 4z3oA-2o0yA:
4.5
4z3oB-2o0yA:
4.5		 4z3oA-2o0yA:
15.53
4z3oB-2o0yA:
15.53
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.
2pka KALLIKREIN A

(Sus scrofa) 		PF00089
(Trypsin) 		4 ARG A  70
GLY A  69
GLU A  77
SER B 110
 None
 1.24A 4z3oA-2pkaA:
undetectable
4z3oB-2pkaA:
undetectable		 4z3oA-2pkaA:
6.98
4z3oB-2pkaA:
6.98
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 ARG A1003
GLY A1042
GLU A 726
SER A1033
 None
 1.29A 4z3oA-2vdcA:
2.9
4z3oB-2vdcA:
3.1		 4z3oA-2vdcA:
19.61
4z3oB-2vdcA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ARG A 351
GLY A 600
GLU A 588
SER A 542
 None
 0.91A 4z3oA-2wzsA:
undetectable
4z3oB-2wzsA:
2.7		 4z3oA-2wzsA:
21.58
4z3oB-2wzsA:
21.58
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.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ARG A 664
GLY A 696
GLU A 179
SER A 710
 PO4  A1791 (-4.6A)
None
PGR  A1748 ( 4.5A)
PGR  A1777 ( 3.5A)
 1.25A 4z3oA-2xe4A:
1.8
4z3oB-2xe4A:
3.8		 4z3oA-2xe4A:
23.21
4z3oB-2xe4A:
23.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xkk TOPOISOMERASE IV

(Acinetobacter
baumannii) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ARG A 418
GLY A 419
GLU A 437
SER A1084
 None
None
None
MG  A1504 ( 3.8A)
 0.98A 4z3oA-2xkkA:
22.5
4z3oB-2xkkA:
48.3		 4z3oA-2xkkA:
40.13
4z3oB-2xkkA:
40.13
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.
2y4r 4-AMINO-4-DEOXYCHORI
SMATE LYASE

(Pseudomonas
aeruginosa) 		PF01063
(Aminotran_4) 		4 ARG A  85
ARG A  52
GLY A  50
GLU A  49
 None
None
None
PG4  A1272 (-3.6A)
 1.19A 4z3oA-2y4rA:
undetectable
4z3oB-2y4rA:
undetectable		 4z3oA-2y4rA:
18.56
4z3oB-2y4rA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		4 ARG A 249
GLY A 196
GLU A 193
SER A 210
 FMN  A 500 (-2.9A)
None
None
None
 1.21A 4z3oA-3atyA:
undetectable
4z3oB-3atyA:
undetectable		 4z3oA-3atyA:
19.92
4z3oB-3atyA:
19.92
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.
3b0h NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 329
ARG A 323
GLY A 321
GLU A 320
 None
 1.22A 4z3oA-3b0hA:
4.1
4z3oB-3b0hA:
undetectable		 4z3oA-3b0hA:
21.03
4z3oB-3b0hA:
21.03
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.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN

(Paracoccus
versutus) 		PF06433
(Me-amine-dh_H) 		5 ARG H 340
ARG H 312
GLY H 286
GLU H 305
SER H 349
 None
 1.42A 4z3oA-3c75H:
undetectable
4z3oB-3c75H:
undetectable		 4z3oA-3c75H:
19.95
4z3oB-3c75H:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		4 ARG A 432
GLY A 433
GLU A 215
SER A 452
 None
 1.25A 4z3oA-3cdiA:
undetectable
4z3oB-3cdiA:
undetectable		 4z3oA-3cdiA:
24.70
4z3oB-3cdiA:
24.70
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.
3cer POSSIBLE
EXOPOLYPHOSPHATASE-L
IKE PROTEIN

(Bifidobacterium
longum) 		PF02541
(Ppx-GppA) 		4 ARG A  29
ARG A  91
GLY A 331
SER A 232
 SO4  A 345 (-2.8A)
None
None
SO4  A 345 ( 3.4A)
 1.27A 4z3oA-3cerA:
undetectable
4z3oB-3cerA:
undetectable		 4z3oA-3cerA:
20.65
4z3oB-3cerA:
20.65
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.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 ARG A 254
GLY A 253
GLU A 257
SER A  38
 None
 1.11A 4z3oA-3fa5A:
undetectable
4z3oB-3fa5A:
undetectable		 4z3oA-3fa5A:
17.16
4z3oB-3fa5A:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbu ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13302
(Acetyltransf_3) 		4 ARG A 141
GLY A 139
GLU A 168
SER A 131
 None
None
None
COA  A 169 (-3.2A)
 1.20A 4z3oA-3fbuA:
undetectable
4z3oB-3fbuA:
undetectable		 4z3oA-3fbuA:
11.25
4z3oB-3fbuA:
11.25
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ARG A 520
ARG A 463
GLY A 462
GLU A 447
 None
 1.27A 4z3oA-3gdeA:
undetectable
4z3oB-3gdeA:
undetectable		 4z3oA-3gdeA:
21.53
4z3oB-3gdeA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0r ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Aquifex
aeolicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		4 ARG B 201
ARG B 211
GLY B  10
GLU B  12
 None
ADP  B 479 (-3.0A)
ADP  B 479 (-3.4A)
MN  B 481 ( 2.8A)
 1.26A 4z3oA-3h0rB:
2.9
4z3oB-3h0rB:
2.8		 4z3oA-3h0rB:
22.67
4z3oB-3h0rB:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h6e CARBOHYDRATE KINASE,
FGGY

(Novosphingobium
aromaticivorans) 		PF00370
(FGGY_N) 		4 ARG A 295
ARG A 300
GLY A 299
GLU A 303
 None
 1.27A 4z3oA-3h6eA:
undetectable
4z3oB-3h6eA:
undetectable		 4z3oA-3h6eA:
21.84
4z3oB-3h6eA:
21.84
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.
3hx3 RETINALDEHYDE-BINDIN
G PROTEIN 1

(Homo sapiens) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 ARG A  87
ARG A 115
GLY A 116
GLU A 112
 None
 1.13A 4z3oA-3hx3A:
undetectable
4z3oB-3hx3A:
undetectable		 4z3oA-3hx3A:
17.52
4z3oB-3hx3A:
17.52
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.
3mkh NITROALKANE OXIDASE

(Podospora
anserina) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A 249
ARG A 244
GLY A 222
GLU A 225
 None
 1.21A 4z3oA-3mkhA:
undetectable
4z3oB-3mkhA:
undetectable		 4z3oA-3mkhA:
21.28
4z3oB-3mkhA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mzn GLUCARATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF13378
(MR_MLE_C) 		4 ARG A  81
ARG A  71
GLY A  69
GLU A  41
 None
 1.24A 4z3oA-3mznA:
undetectable
4z3oB-3mznA:
undetectable		 4z3oA-3mznA:
21.57
4z3oB-3mznA:
21.57
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 4 ARG A  68
GLY A  42
GLU A  63
SER A 138
 SAH  A 300 (-3.5A)
SAH  A 300 (-3.1A)
SAH  A 300 (-2.6A)
None
 1.26A 4z3oA-3njrA:
undetectable
4z3oB-3njrA:
undetectable		 4z3oA-3njrA:
15.46
4z3oB-3njrA:
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.
3nvq SEMAPHORIN-7A

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF13895
(Ig_2) 		4 ARG A 136
GLY A 139
GLU A 138
SER A  84
 None
 1.00A 4z3oA-3nvqA:
undetectable
4z3oB-3nvqA:
undetectable		 4z3oA-3nvqA:
20.72
4z3oB-3nvqA:
20.72
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		4 ARG A 460
GLY A 154
GLU A 130
SER A 180
 None
 1.12A 4z3oA-3ob8A:
undetectable
4z3oB-3ob8A:
undetectable		 4z3oA-3ob8A:
21.96
4z3oB-3ob8A:
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 ARG A 420
ARG A 359
GLY A 358
GLU A 212
 None
 1.10A 4z3oA-3oepA:
5.5
4z3oB-3oepA:
5.5		 4z3oA-3oepA:
20.37
4z3oB-3oepA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pzd MYOSIN-X

(Homo sapiens) 		PF00373
(FERM_M)
PF00784
(MyTH4)
PF00788
(RA) 		4 ARG A1989
GLY A1988
GLU A1987
SER A1976
 None
 1.26A 4z3oA-3pzdA:
undetectable
4z3oB-3pzdA:
undetectable		 4z3oA-3pzdA:
21.17
4z3oB-3pzdA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qp5 CVIR TRANSCRIPTIONAL
REGULATOR

(Chromobacterium
violaceum) 		PF00196
(GerE)
PF03472
(Autoind_bind) 		4 ARG A 159
GLY A 138
GLU A 112
SER A  79
 None
 1.00A 4z3oA-3qp5A:
undetectable
4z3oB-3qp5A:
undetectable		 4z3oA-3qp5A:
16.94
4z3oB-3qp5A:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 261
GLY A 259
GLU A 260
SER A 274
 None
 1.13A 4z3oA-3t4wA:
undetectable
4z3oB-3t4wA:
undetectable		 4z3oA-3t4wA:
20.51
4z3oB-3t4wA:
20.51
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 ARG A 200
GLY A 129
GLU A 127
SER A  38
 None
 1.21A 4z3oA-3texA:
undetectable
4z3oB-3texA:
undetectable		 4z3oA-3texA:
22.75
4z3oB-3texA:
22.75
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		4 ARG A 148
GLY A 123
GLU A 186
SER A  58
 None
 1.24A 4z3oA-3thcA:
undetectable
4z3oB-3thcA:
undetectable		 4z3oA-3thcA:
21.63
4z3oB-3thcA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		4 ARG A  74
ARG A 102
GLY A  36
SER A 149
 None
 1.05A 4z3oA-3u37A:
2.7
4z3oB-3u37A:
2.9		 4z3oA-3u37A:
20.29
4z3oB-3u37A:
20.29
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.
3vly NITRITE REDUCTASE

(Nicotiana
tabacum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ARG A 329
ARG A 323
GLY A 321
GLU A 320
 None
 1.25A 4z3oA-3vlyA:
2.6
4z3oB-3vlyA:
2.2		 4z3oA-3vlyA:
22.32
4z3oB-3vlyA:
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ARG A 110
GLY A 152
GLU A 150
SER A  66
 None
 0.87A 4z3oA-3vteA:
3.6
4z3oB-3vteA:
3.5		 4z3oA-3vteA:
22.51
4z3oB-3vteA:
22.51
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 ARG A 320
GLY A  19
GLU A 109
SER A 595
 None
NA  A1212 ( 4.6A)
None
None
 1.09A 4z3oA-3w5nA:
undetectable
4z3oB-3w5nA:
2.3		 4z3oA-3w5nA:
21.00
4z3oB-3w5nA:
21.00
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.
3w9a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Coprinopsis
cinerea) 		no annotation 4 ARG A  20
GLY A  19
GLU A 242
SER A  75
 None
 1.08A 4z3oA-3w9aA:
undetectable
4z3oB-3w9aA:
undetectable		 4z3oA-3w9aA:
17.12
4z3oB-3w9aA:
17.12
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.
3wxr PROBABLE PROTEASOME
SUBUNIT ALPHA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		4 ARG G  85
ARG G  90
GLY G  91
GLU G  94
 None
 1.16A 4z3oA-3wxrG:
undetectable
4z3oB-3wxrG:
undetectable		 4z3oA-3wxrG:
17.90
4z3oB-3wxrG:
17.90
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ARG A 319
ARG A 401
GLY A 400
GLU A 374
 None
GOL  A1542 ( 3.1A)
None
GOL  A1548 (-3.0A)
 1.24A 4z3oA-4aieA:
undetectable
4z3oB-4aieA:
undetectable		 4z3oA-4aieA:
21.72
4z3oB-4aieA:
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.
4ays AMYLOSUCRASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase) 		4 ARG A  24
ARG A  29
GLY A  31
GLU A  33
 None
 1.26A 4z3oA-4aysA:
undetectable
4z3oB-4aysA:
undetectable		 4z3oA-4aysA:
23.66
4z3oB-4aysA:
23.66
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.
4fqu PUTATIVE GLUTATHIONE
TRANSFERASE

(Sphingobium
chlorophenolicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ARG A  44
GLY A  43
GLU A  41
SER A  75
 None
 1.07A 4z3oA-4fquA:
undetectable
4z3oB-4fquA:
undetectable		 4z3oA-4fquA:
18.28
4z3oB-4fquA:
18.28
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.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		4 ARG A  58
GLY A  54
GLU A  55
SER A 343
 None
 1.13A 4z3oA-4g8tA:
undetectable
4z3oB-4g8tA:
undetectable		 4z3oA-4g8tA:
21.02
4z3oB-4g8tA:
21.02
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		4 ARG A 110
ARG A  66
GLY A  65
GLU A  63
 None
 1.24A 4z3oA-4go4A:
undetectable
4z3oB-4go4A:
1.8		 4z3oA-4go4A:
21.40
4z3oB-4go4A:
21.40
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.
4m8u OLIGO-1,6-GLUCOSIDAS
E 1

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ARG A 335
ARG A 418
GLY A 417
GLU A 389
 None
TRS  A 601 ( 3.3A)
None
GOL  A 602 (-3.0A)
 1.17A 4z3oA-4m8uA:
undetectable
4z3oB-4m8uA:
undetectable		 4z3oA-4m8uA:
21.40
4z3oB-4m8uA:
21.40
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.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		4 ARG A  10
GLY A 289
GLU A 310
SER A 239
 UDP  A 401 (-3.5A)
UDP  A 401 (-3.7A)
None
UDP  A 401 (-2.7A)
 1.24A 4z3oA-4nesA:
undetectable
4z3oB-4nesA:
undetectable		 4z3oA-4nesA:
20.56
4z3oB-4nesA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ARG H 168
GLY H 171
GLU H 174
SER H 134
 None
 1.05A 4z3oA-4nl4H:
4.1
4z3oB-4nl4H:
3.9		 4z3oA-4nl4H:
23.09
4z3oB-4nl4H:
23.09
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.
4ntd THIOREDOXIN
REDUCTASE

(Streptomyces
clavuligerus) 		PF07992
(Pyr_redox_2) 		4 ARG A 311
ARG A  97
GLY A  91
GLU A  90
 None
 0.99A 4z3oA-4ntdA:
undetectable
4z3oB-4ntdA:
undetectable		 4z3oA-4ntdA:
19.03
4z3oB-4ntdA:
19.03
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.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A4252
GLY A4251
GLU A4250
SER A4446
 None
 1.27A 4z3oA-4opeA:
undetectable
4z3oB-4opeA:
undetectable		 4z3oA-4opeA:
20.97
4z3oB-4opeA:
20.97
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 ARG A  87
ARG A 115
GLY A 114
SER A 286
 SPV  A 704 (-3.8A)
None
None
SPV  A 704 ( 2.8A)
 1.15A 4z3oA-4ox2A:
undetectable
4z3oB-4ox2A:
undetectable		 4z3oA-4ox2A:
23.65
4z3oB-4ox2A:
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		4 ARG A 185
GLY A 183
GLU A 181
SER A 154
 None
 1.05A 4z3oA-4p5hA:
undetectable
4z3oB-4p5hA:
undetectable		 4z3oA-4p5hA:
17.92
4z3oB-4p5hA:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ARG B 458
GLY B 459
GLU B 477
SER B1084
 None
 0.99A 4z3oA-4plbB:
53.9
4z3oB-4plbB:
53.6		 4z3oA-4plbB:
46.88
4z3oB-4plbB:
46.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ARG B 458
GLY B 459
GLU B 477
SER B1085
 None
 0.87A 4z3oA-4plbB:
53.9
4z3oB-4plbB:
53.6		 4z3oA-4plbB:
46.88
4z3oB-4plbB:
46.88
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		4 ARG A 223
GLY A 225
GLU A 138
SER A 383
 None
 1.06A 4z3oA-4rjwA:
undetectable
4z3oB-4rjwA:
undetectable		 4z3oA-4rjwA:
19.66
4z3oB-4rjwA:
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.
4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A  11
ARG A 188
GLY A 187
GLU A 186
 None
None
GOL  A 404 ( 3.7A)
None
 1.24A 4z3oA-4ubtA:
undetectable
4z3oB-4ubtA:
undetectable		 4z3oA-4ubtA:
19.35
4z3oB-4ubtA:
19.35
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ARG A 316
ARG A 398
GLY A 397
GLU A 371
 None
 1.28A 4z3oA-4xb3A:
undetectable
4z3oB-4xb3A:
undetectable		 4z3oA-4xb3A:
21.41
4z3oB-4xb3A:
21.41
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.
4zo6 LIN1840 PROTEIN

(Listeria
innocua) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 149
GLY A 148
GLU A 204
SER A 551
 BGC  A 802 (-2.7A)
None
None
None
 1.24A 4z3oA-4zo6A:
undetectable
4z3oB-4zo6A:
4.2		 4z3oA-4zo6A:
24.50
4z3oB-4zo6A:
24.50
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.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 ARG A 248
GLY A 396
GLU A 252
SER A 208
 None
 1.08A 4z3oA-5c65A:
undetectable
4z3oB-5c65A:
undetectable		 4z3oA-5c65A:
22.10
4z3oB-5c65A:
22.10
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.
5cwo DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 ARG A 197
ARG A 142
GLY A 140
GLU A 137
 None
 1.13A 4z3oA-5cwoA:
undetectable
4z3oB-5cwoA:
undetectable		 4z3oA-5cwoA:
18.07
4z3oB-5cwoA:
18.07
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		4 ARG A 433
GLY A 436
GLU A 434
SER A 280
 None
 1.09A 4z3oA-5d9aA:
undetectable
4z3oB-5d9aA:
0.6		 4z3oA-5d9aA:
22.75
4z3oB-5d9aA:
22.75
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.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 4 ARG B 331
ARG B 413
GLY B 412
GLU B 386
 None
BGC  B 601 ( 3.1A)
None
BTB  B 603 (-2.9A)
 1.23A 4z3oA-5do8B:
undetectable
4z3oB-5do8B:
undetectable		 4z3oA-5do8B:
23.07
4z3oB-5do8B:
23.07
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 ARG A  18
GLY A  17
GLU A  38
SER A  10
 None
 1.09A 4z3oA-5e6sA:
undetectable
4z3oB-5e6sA:
2.2		 4z3oA-5e6sA:
22.68
4z3oB-5e6sA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hj3 ENVELOPE
GLYCOPROTEIN

(Ebola virus sp.) 		PF01611
(Filo_glycop) 		4 ARG C 172
GLY C 173
GLU C 112
SER C 167
 None
 1.20A 4z3oA-5hj3C:
undetectable
4z3oB-5hj3C:
undetectable		 4z3oA-5hj3C:
13.10
4z3oB-5hj3C:
13.10
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 ARG A 235
ARG A 302
GLY A 336
GLU A 338
 FLC  A 509 (-2.8A)
None
None
None
 1.16A 4z3oA-5hvfA:
3.8
4z3oB-5hvfA:
4.3		 4z3oA-5hvfA:
20.11
4z3oB-5hvfA:
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.
5jm7 AEROBACTIN SYNTHASE
IUCA

(Klebsiella
pneumoniae) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 ARG A 347
GLY A 327
GLU A 190
SER A 265
 SO4  A 600 (-2.7A)
None
None
SO4  A 600 (-3.0A)
 0.94A 4z3oA-5jm7A:
undetectable
4z3oB-5jm7A:
undetectable		 4z3oA-5jm7A:
22.10
4z3oB-5jm7A:
22.10
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		4 ARG A 234
GLY A 183
GLU A 180
SER A 197
 FMN  A 400 (-2.9A)
None
None
None
 1.16A 4z3oA-5k1uA:
undetectable
4z3oB-5k1uA:
undetectable		 4z3oA-5k1uA:
20.24
4z3oB-5k1uA:
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.
5kh0 SMALL GTP-BINDING
PROTEIN

(Thermosipho
melanesiensis) 		PF01926
(MMR_HSR1) 		4 ARG A 314
ARG A 309
GLY A 308
GLU A 296
 None
None
None
SF4  A 401 (-3.9A)
 1.25A 4z3oA-5kh0A:
3.8
4z3oB-5kh0A:
2.4		 4z3oA-5kh0A:
20.58
4z3oB-5kh0A:
20.58
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.
5oet GLUTATHIONE
SYNTHETASE-LIKE
EFFECTOR 30
(GPA-GSS30-APO)

(Globodera
pallida) 		no annotation 4 ARG B 290
GLY B 287
GLU B 286
SER B 333
 None
 1.12A 4z3oA-5oetB:
undetectable
4z3oB-5oetB:
undetectable		 4z3oA-5oetB:
7.23
4z3oB-5oetB:
7.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY2

(Pseudomonas
aeruginosa) 		PF09614
(Cas_Csy2) 		4 ARG B 315
ARG B 189
GLY B 287
GLU B 288
 None
 1.24A 4z3oA-5uz9B:
2.1
4z3oB-5uz9B:
2.0		 4z3oA-5uz9B:
19.40
4z3oB-5uz9B:
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.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 4 ARG A 369
ARG A 223
GLY A 219
GLU A 220
 None
 1.20A 4z3oA-5yknA:
undetectable
4z3oB-5yknA:
undetectable		 4z3oA-5yknA:
7.76
4z3oB-5yknA:
7.76
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 ARG A 111
GLY A  92
GLU A  93
SER A  38
 None
None
None
EWM  A 301 (-2.7A)
 1.25A 4z3oA-6cc0A:
undetectable
4z3oB-6cc0A:
2.6		 4z3oA-6cc0A:
7.41
4z3oB-6cc0A:
7.41
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.
6ci7 YCAO

(Methanopyrus
kandleri) 		no annotation 4 ARG A 200
ARG A 204
GLY A 203
GLU A 225
 None
 1.08A 4z3oA-6ci7A:
undetectable
4z3oB-6ci7A:
undetectable		 4z3oA-6ci7A:
8.38
4z3oB-6ci7A:
8.38
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.
6dxp -

(-) 		no annotation 4 ARG A 183
ARG A 140
GLY A 141
GLU A 147
 None
None
FMN  A 301 (-3.8A)
FMN  A 301 (-4.3A)
 1.24A 4z3oA-6dxpA:
undetectable
4z3oB-6dxpA:
undetectable		 4z3oA-6dxpA:
undetectable
4z3oB-6dxpA:
undetectable