SIMILAR PATTERNS OF AMINO ACIDS FOR 3CCF_B_BEZB261

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.
1cbg CYANOGENIC
BETA-GLUCOSIDASE

(Trifolium
repens) 		PF00232
(Glyco_hydro_1) 		4 ILE A 344
TRP A 281
PHE A 277
ARG A 302
 None
 1.23A 3ccfB-1cbgA:
undetectable		 3ccfB-1cbgA:
20.55
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.
1exf EXFOLIATVE TOXIN A

(Staphylococcus
aureus) 		PF13365
(Trypsin_2) 		4 ASN A 153
ILE A  70
PHE A  66
TYR A 141
 None
 1.45A 3ccfB-1exfA:
undetectable		 3ccfB-1exfA:
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.
1hv6 ALGINATE LYASE

(Sphingomonas
sp.) 		PF05426
(Alginate_lyase) 		4 HIS A 192
ASN A 191
TYR A 246
ARG A 239
 None
 1.28A 3ccfB-1hv6A:
undetectable		 3ccfB-1hv6A:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hx6 MAJOR CAPSID PROTEIN

(Salmonella
virus PRD1) 		PF09018
(Phage_Capsid_P3) 		4 ASN A  24
ILE A 252
PHE A 380
ARG A  28
 None
 1.41A 3ccfB-1hx6A:
undetectable		 3ccfB-1hx6A:
21.45
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.
1i8n ANTI-PLATELET
PROTEIN

(Haementeria
officinalis) 		no annotation 4 ASN A  99
ILE A  86
TRP A 106
TYR A  85
 None
 1.48A 3ccfB-1i8nA:
undetectable		 3ccfB-1i8nA:
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.
1id8 METHYLASPARTATE
MUTASE S CHAIN

(Clostridium
tetanomorphum) 		PF02310
(B12-binding) 		4 ASN A  93
ILE A  94
PHE A 108
TYR A  64
 None
 1.31A 3ccfB-1id8A:
3.5		 3ccfB-1id8A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iid PEPTIDE
N-MYRISTOYLTRANSFERA
SE

(Saccharomyces
cerevisiae) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 HIS A 221
ASN A 397
ILE A 347
PHE A 234
 None
 1.33A 3ccfB-1iidA:
undetectable		 3ccfB-1iidA:
17.65
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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 ASN A 392
ILE A 352
PHE A 117
TYR A 354
 R64  A 452 (-3.4A)
None
R64  A 452 ( 4.2A)
R64  A 452 ( 4.6A)
 1.46A 3ccfB-1iylA:
undetectable		 3ccfB-1iylA:
20.39
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.
1j5w GLYCYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Thermotoga
maritima) 		PF02091
(tRNA-synt_2e) 		4 ILE A 157
TRP A  14
PHE A  13
TYR A 159
 None
 1.49A 3ccfB-1j5wA:
undetectable		 3ccfB-1j5wA:
25.85
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.
1jf0 OBELIN

(Obelia
longissima) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		4 HIS A 175
ILE A 144
TRP A 179
TYR A 138
 CZH  A 197 (-3.5A)
CZH  A 197 ( 4.5A)
CZH  A 197 (-3.7A)
CZH  A 197 (-4.3A)
 1.28A 3ccfB-1jf0A:
undetectable		 3ccfB-1jf0A:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lu2 LECTIN

(Vigna
unguiculata) 		PF00139
(Lectin_legB) 		4 HIS A 181
ILE A  75
TRP A 154
PHE A 124
 None
 1.39A 3ccfB-1lu2A:
undetectable		 3ccfB-1lu2A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n0e PROTEIN MRAZ

(Mycoplasma
pneumoniae) 		PF02381
(MraZ) 		4 ASN A  58
ILE A  97
TYR A  76
ARG A  68
 None
 1.00A 3ccfB-1n0eA:
undetectable		 3ccfB-1n0eA:
20.98
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.
1n0e PROTEIN MRAZ

(Mycoplasma
pneumoniae) 		PF02381
(MraZ) 		4 ASN A  58
PHE A  61
TYR A  76
ARG A  68
 None
 1.50A 3ccfB-1n0eA:
undetectable		 3ccfB-1n0eA:
20.98
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ASN A 546
TRP A 472
PHE A 397
TYR A 543
 None
None
HE3  A1406 (-4.7A)
HE3  A1406 (-4.4A)
 1.25A 3ccfB-1ozhA:
3.5		 3ccfB-1ozhA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pw4 GLYCEROL-3-PHOSPHATE
TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		4 HIS A 165
ASN A 166
TYR A 362
ARG A 269
 None
 1.29A 3ccfB-1pw4A:
undetectable		 3ccfB-1pw4A:
20.94
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.
1qv0 OBELIN

(Obelia
longissima) 		PF00036
(EF-hand_1)
PF13202
(EF-hand_5) 		4 HIS A 175
ILE A 144
TRP A 179
TYR A 138
 CZH  A 201 (-3.5A)
CZH  A 201 ( 3.8A)
CZH  A 201 (-3.7A)
CZH  A 201 (-4.5A)
 1.16A 3ccfB-1qv0A:
undetectable		 3ccfB-1qv0A:
19.59
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.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		4 ASN A 195
TRP A 225
TRP A 146
TYR A 196
 None
 1.38A 3ccfB-1s1dA:
undetectable		 3ccfB-1s1dA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s58 B19 PARVOVIRUS
CAPSID

(Primate
erythroparvovirus
1) 		PF00740
(Parvo_coat) 		4 HIS A 421
ILE A 352
TYR A 337
ARG A 373
 None
 1.47A 3ccfB-1s58A:
undetectable		 3ccfB-1s58A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xss FLUORESCENT PROTEIN

(Favia favus) 		PF01353
(GFP) 		4 ASN A 105
ILE A 107
PHE A  68
TYR A 119
 DYG  A  64 ( 4.1A)
None
None
DYG  A  64 ( 4.8A)
 1.12A 3ccfB-1xssA:
undetectable		 3ccfB-1xssA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zsw GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		4 HIS A   7
ILE A   4
PHE A 269
TYR A 180
 None
 1.11A 3ccfB-1zswA:
undetectable		 3ccfB-1zswA:
23.10
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.
1zun SULFATE
ADENYLYLTRANSFERASE
SUBUNIT 2
SULFATE ADENYLATE
TRANSFERASE, SUBUNIT
1/ADENYLYLSULFATE
KINASE

(Pseudomonas
syringae;
Pseudomonas
syringae group
genomosp. 3) 		PF01507
(PAPS_reduct)
PF00009
(GTP_EFTU) 		4 ASN A 187
ILE B 107
TYR B  96
ARG A 136
 None
 1.41A 3ccfB-1zunA:
2.7		 3ccfB-1zunA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zyp ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Salmonella
enterica) 		PF13192
(Thioredoxin_3) 		4 HIS A 151
ILE A 154
PHE A  78
TYR A 125
 None
 1.35A 3ccfB-1zypA:
undetectable		 3ccfB-1zypA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		4 HIS A1125
ILE A1190
PHE A1145
TYR A1234
 None
 1.31A 3ccfB-2b39A:
undetectable		 3ccfB-2b39A:
10.57
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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		4 HIS A 305
ILE A 503
TRP A 460
PHE A 464
 None
 1.46A 3ccfB-2d5wA:
undetectable		 3ccfB-2d5wA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2c CASPASE-2

(Homo sapiens) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 ASN P 156
ILE P 152
PHE P 145
TYR P 122
 None
 1.21A 3ccfB-2p2cP:
undetectable		 3ccfB-2p2cP:
24.03
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.
2qhs LIPOYLTRANSFERASE

(Thermus
thermophilus) 		PF03099
(BPL_LplA_LipB) 		4 HIS A  82
ILE A  45
PHE A 164
ARG A  75
 OCA  A3913 ( 4.7A)
None
None
OCA  A3913 (-3.6A)
 1.28A 3ccfB-2qhsA:
undetectable		 3ccfB-2qhsA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qhu LIPOYLTRANSFERASE

(Thermus
thermophilus) 		PF03099
(BPL_LplA_LipB) 		4 HIS A  82
ILE A  45
PHE A 164
ARG A  75
 OYA  A1001 ( 4.7A)
None
None
OYA  A1001 (-3.7A)
 1.37A 3ccfB-2qhuA:
undetectable		 3ccfB-2qhuA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qlv CARBON CATABOLITE
DEREPRESSING PROTEIN
KINASE
NUCLEAR PROTEIN SNF4

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF16579
(AdenylateSensor)
PF00571
(CBS) 		4 HIS A 478
ASN C 234
ILE C 225
ARG C 264
 None
 1.29A 3ccfB-2qlvA:
undetectable		 3ccfB-2qlvA:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzc TRANSCRIPTIONAL
ACTIVATOR TENA-1

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4) 		4 ILE A 174
TRP A 126
TRP A 133
PHE A 129
 None
 1.43A 3ccfB-2qzcA:
undetectable		 3ccfB-2qzcA:
23.59
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		4 HIS A 456
ILE A 373
TRP A 452
TRP A 630
 None
 1.17A 3ccfB-2rdyA:
undetectable		 3ccfB-2rdyA:
15.75
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.
2vqr PUTATIVE SULFATASE

(Rhizobium
leguminosarum) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 HIS A 333
ASN A 244
ILE A 247
PHE A 467
 None
 1.43A 3ccfB-2vqrA:
undetectable		 3ccfB-2vqrA:
18.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 HIS A 847
ILE A 850
PHE A 852
TYR A 796
 SO4  A 991 (-4.7A)
SO4  A 997 (-4.4A)
SO4  A 996 (-4.8A)
SO4  A 997 (-4.7A)
 1.46A 3ccfB-2wjvA:
3.3		 3ccfB-2wjvA:
15.41
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.
2x50 TRYPANOTHIONE
REDUCTASE

(Leishmania
infantum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 HIS A 408
ASN A 245
ILE A 369
ARG A  74
 None
 1.07A 3ccfB-2x50A:
3.3		 3ccfB-2x50A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7q POSSIBLE THIAMINE
BIOSYNTHESIS ENZYME

(Candida
albicans) 		PF09084
(NMT1) 		4 ILE A 231
TRP A 245
PHE A  13
TYR A 237
 None
 1.15A 3ccfB-2x7qA:
undetectable		 3ccfB-2x7qA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A

(Homo sapiens) 		PF02373
(JmjC) 		4 HIS A 301
ILE A 305
TRP A 168
ARG A  73
 None
 1.43A 3ccfB-2yu1A:
undetectable		 3ccfB-2yu1A:
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.
3bjd PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE

(Pseudomonas
aeruginosa) 		PF14515
(HOASN)
PF14518
(Haem_oxygenas_2) 		4 ASN A 222
ILE A 218
PHE A 149
TYR A  65
 None
None
None
EDO  A 401 (-3.5A)
 1.41A 3ccfB-3bjdA:
undetectable		 3ccfB-3bjdA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bkx SAM-DEPENDENT
METHYLTRANSFERASE

(Lactobacillus
paracasei) 		PF13649
(Methyltransf_25) 		4 ASN A 191
ILE A 192
TRP A 132
TYR A 133
 None
 1.34A 3ccfB-3bkxA:
13.8		 3ccfB-3bkxA:
23.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		8 HIS A 109
ASN A 140
ILE A 141
TRP A 166
TRP A 207
PHE A 211
TYR A 249
ARG A 251
 BEZ  A 261 (-3.7A)
BEZ  A 261 (-3.1A)
None
BEZ  A 261 (-3.7A)
BEZ  A 261 ( 4.6A)
BEZ  A 261 (-3.6A)
BEZ  A 261 (-4.2A)
BEZ  A 261 (-3.9A)
 0.67A 3ccfB-3ccfA:
35.6		 3ccfB-3ccfA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		4 ILE A 144
TRP A 166
TRP A 207
PHE A 211
 None
BEZ  A 261 (-3.7A)
BEZ  A 261 ( 4.6A)
BEZ  A 261 (-3.6A)
 1.21A 3ccfB-3ccfA:
35.6		 3ccfB-3ccfA:
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.
3cgl GFP-LIKE FLUORESCENT
CHROMOPROTEIN
DSFP483

(Discosoma
striata) 		PF01353
(GFP) 		4 ASN A 109
ILE A 111
PHE A  72
TYR A 120
 CRQ  A  66 ( 4.1A)
None
None
CRQ  A  66 ( 4.5A)
 1.14A 3ccfB-3cglA:
undetectable		 3ccfB-3cglA:
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.
3cs1 FLAGELLAR
CALCIUM-BINDING
PROTEIN

(Trypanosoma
cruzi) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		4 ILE A  38
TRP A  31
PHE A 130
ARG A  33
 None
 1.24A 3ccfB-3cs1A:
undetectable		 3ccfB-3cs1A:
22.07
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.
3fy4 6-4 PHOTOLYASE

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 HIS A 368
ASN A 405
TRP A 408
TRP A 301
 MES  A 920 ( 4.1A)
FAD  A 900 ( 3.4A)
MES  A 920 (-4.0A)
MES  A 920 ( 3.6A)
 1.17A 3ccfB-3fy4A:
3.3		 3ccfB-3fy4A:
19.18
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		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) 		4 ILE B 674
TRP B 665
PHE B  24
TYR B 676
 None
 0.95A 3ccfB-3h0gB:
undetectable		 3ccfB-3h0gB:
13.29
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ASN B 335
ILE B 338
TRP B 302
TYR B 334
 None
 1.32A 3ccfB-3m2rB:
undetectable		 3ccfB-3m2rB:
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.
3nfv ALGINATE LYASE

(Bacteroides
ovatus) 		PF05426
(Alginate_lyase) 		4 HIS A 240
ASN A 239
TYR A 295
ARG A 289
 None
None
EDO  A 407 (-4.1A)
EDO  A 406 (-3.3A)
 1.25A 3ccfB-3nfvA:
undetectable		 3ccfB-3nfvA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nre ALDOSE 1-EPIMERASE

(Escherichia
coli) 		PF01263
(Aldose_epim) 		4 HIS A  83
ASN A  55
PHE A 235
ARG A  56
 PEG  A 316 (-4.1A)
PEG  A 310 (-3.3A)
PEG  A 316 ( 4.1A)
PEG  A 310 (-2.8A)
 1.24A 3ccfB-3nreA:
undetectable		 3ccfB-3nreA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ocr CLASS II
ALDOLASE/ADDUCIN
DOMAIN PROTEIN

(Pseudomonas
savastanoi) 		PF00596
(Aldolase_II) 		4 HIS A  55
ILE A  52
PHE A  72
TYR A  53
 None
 1.39A 3ccfB-3ocrA:
undetectable		 3ccfB-3ocrA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		4 ILE A 212
TRP A 161
TRP A 122
PHE A 109
 None
 1.48A 3ccfB-3sdoA:
undetectable		 3ccfB-3sdoA:
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.
3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE

(Pseudomonas sp.
AC2) 		PF13419
(HAD_2) 		4 ASN A  51
ILE A  75
PHE A  39
ARG A  50
 None
None
GOL  A 305 ( 4.2A)
None
 1.30A 3ccfB-3smvA:
2.5		 3ccfB-3smvA:
20.68
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.
3smv S-(-)-AZETIDINE-2-CA
RBOXYLATE HYDROLASE

(Pseudomonas sp.
AC2) 		PF13419
(HAD_2) 		4 ASN A  51
ILE A  75
TRP A  79
ARG A  50
 None
None
GOL  A 302 (-4.7A)
None
 1.15A 3ccfB-3smvA:
2.5		 3ccfB-3smvA:
20.68
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.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		4 ILE A 150
TRP A  93
PHE A  92
TYR A 121
 BOG  A 501 (-3.5A)
BOG  A 501 ( 2.7A)
None
BOG  A 501 (-4.1A)
 1.24A 3ccfB-3tb4A:
3.5		 3ccfB-3tb4A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tw8 RAS-RELATED PROTEIN
RAB-35

(Homo sapiens) 		PF00071
(Ras) 		4 ILE B  14
TRP B 102
PHE B  70
TYR B  77
 None
 1.30A 3ccfB-3tw8B:
3.5		 3ccfB-3tw8B:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 ILE B 236
TRP B 332
PHE B 288
TYR B 231
 None
None
MES  B1202 ( 4.0A)
None
 1.29A 3ccfB-3v0aB:
undetectable		 3ccfB-3v0aB:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 ILE A 489
TRP A 212
TYR A 537
ARG A 591
 None
 1.16A 3ccfB-3vmnA:
undetectable		 3ccfB-3vmnA:
18.39
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 ASN A 461
TRP A 393
PHE A 418
TYR A 463
 None
 1.47A 3ccfB-3wfaA:
undetectable		 3ccfB-3wfaA:
18.13
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 ASN A 678
ILE A 680
PHE A 682
ARG A 540
 MG  A2002 ( 2.7A)
None
None
TPP  A2001 (-3.7A)
 1.14A 3ccfB-3zhrA:
2.5		 3ccfB-3zhrA:
16.11
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.
3zul FLUORESCENT PROTEIN
DRONPA

(Echinophyllia
sp. SC22) 		PF01353
(GFP) 		4 ASN A 105
ILE A 107
PHE A  68
TYR A 116
 GYC  A  63 ( 4.3A)
None
None
GYC  A  63 ( 4.8A)
 1.13A 3ccfB-3zulA:
undetectable		 3ccfB-3zulA:
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.
4b96 CELLULOSE BINDING
DOMAIN-CONTAINING
PROTEIN

([Clostridium]
clariflavum) 		PF00942
(CBM_3) 		4 HIS A   9
ASN A 127
TRP A 133
PHE A 123
 None
 1.22A 3ccfB-4b96A:
undetectable		 3ccfB-4b96A:
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA43

(Saccharomyces
cerevisiae) 		PF03876
(SHS2_Rpb7-N) 		4 HIS G 144
ILE G 162
TRP G 217
PHE G 168
 None
 1.33A 3ccfB-4c3hG:
undetectable		 3ccfB-4c3hG:
22.13
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.
4cbv COME

(Streptococcus
pneumoniae) 		PF00072
(Response_reg)
PF04397
(LytTR) 		4 ASN A 208
ILE A 158
TYR A 155
ARG A 197
 None
 1.42A 3ccfB-4cbvA:
undetectable		 3ccfB-4cbvA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		4 HIS A 464
ASN A 260
ILE A 261
TRP A 207
 None
 0.90A 3ccfB-4fnvA:
undetectable		 3ccfB-4fnvA:
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.
4gzc EPSIN-2

(Saccharomyces
cerevisiae) 		PF01417
(ENTH) 		4 ILE A 121
TRP A  70
PHE A 116
ARG A 123
 None
 1.47A 3ccfB-4gzcA:
undetectable		 3ccfB-4gzcA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 HIS A 368
ASN A 370
ILE A 324
PHE A 319
 GLC  A 703 (-4.0A)
None
None
None
 1.48A 3ccfB-4hozA:
undetectable		 3ccfB-4hozA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		4 HIS A 150
ASN A 149
ILE A 152
TYR A 144
 None
 1.45A 3ccfB-4k9dA:
4.2		 3ccfB-4k9dA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		4 ILE A 173
TRP A 165
TYR A 172
ARG A 243
 None
None
PO4  A 302 (-4.5A)
None
 1.17A 3ccfB-4mwzA:
18.3		 3ccfB-4mwzA:
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.
4nrd UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF16255
(Lipase_GDSL_lke) 		4 ASN A  81
ILE A  28
TRP A  66
PHE A 120
 None
 1.45A 3ccfB-4nrdA:
4.2		 3ccfB-4nrdA:
24.91
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.
4ohx PROTEIN CLPF-1

(Caenorhabditis
elegans) 		PF06807
(Clp1)
PF16573
(CLP1_N)
PF16575
(CLP1_P) 		4 ILE A 133
PHE A  60
TYR A 137
ARG A 140
 None
None
2PE  A 503 (-3.7A)
2PE  A 503 ( 4.1A)
 1.20A 3ccfB-4ohxA:
undetectable		 3ccfB-4ohxA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oky RESTRICTION
ENDONUCLEASE PVURTS1
I

(Proteus
vulgaris) 		no annotation 4 HIS C  29
ASN C  25
ILE C  24
PHE C  38
 None
 1.27A 3ccfB-4okyC:
undetectable		 3ccfB-4okyC:
22.53
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.
4ozx ALGINATE LYASE

(Klebsiella
pneumoniae) 		PF08787
(Alginate_lyase2) 		4 HIS A 164
ILE A 159
TYR A 280
ARG A  93
 None
 1.25A 3ccfB-4ozxA:
undetectable		 3ccfB-4ozxA:
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.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524) 		PF08787
(Alginate_lyase2) 		4 HIS A 259
ILE A 254
TYR A 353
ARG A 219
 SO4  A 503 (-3.9A)
None
None
SO4  A 503 (-2.9A)
 1.07A 3ccfB-4q8kA:
undetectable		 3ccfB-4q8kA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rml LATROPHILIN-3

(Mus musculus) 		PF02191
(OLF) 		4 ILE A 237
TRP A 226
PHE A 217
TYR A 253
 None
 1.30A 3ccfB-4rmlA:
undetectable		 3ccfB-4rmlA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		4 HIS A 451
ILE A 373
TRP A 447
TRP A 617
 None
 1.19A 3ccfB-4ufcA:
undetectable		 3ccfB-4ufcA:
15.50
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.
4x09 RIBONUCLEASE K6

(Homo sapiens) 		PF00074
(RnaseA) 		4 HIS A  36
ASN A  31
ILE A  30
TRP A  10
 SO4  A 304 ( 3.5A)
None
None
None
 1.44A 3ccfB-4x09A:
undetectable		 3ccfB-4x09A:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvg ALKYL HYDROPEROXIDE
REDUCTASE SUBUNIT F

(Escherichia
coli) 		PF07992
(Pyr_redox_2)
PF13192
(Thioredoxin_3) 		4 HIS A 151
ILE A 154
PHE A  78
TYR A 125
 None
 1.37A 3ccfB-4xvgA:
4.0		 3ccfB-4xvgA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		4 HIS A 314
ASN A 318
ILE A 364
TRP A 353
 None
 1.47A 3ccfB-4yw5A:
undetectable		 3ccfB-4yw5A:
16.57
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.
5c5z GLUTAMYL-TRNA
AMIDOTRANSFERASE

(Escherichia
coli) 		no annotation 4 HIS A 127
TRP A  66
PHE A  29
ARG A 120
 None
 1.32A 3ccfB-5c5zA:
undetectable		 3ccfB-5c5zA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c9l PLL LECTIN

(Photorhabdus
luminescens) 		PF03984
(DUF346) 		4 ASN A 130
ILE A 183
TRP A 207
ARG A 134
 None
None
None
CA  A 403 ( 4.9A)
 1.34A 3ccfB-5c9lA:
undetectable		 3ccfB-5c9lA:
22.64
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.
5c9s RRNA BIOGENESIS
PROTEIN RRP5

(Saccharomyces
cerevisiae) 		no annotation 4 ASN B1525
ILE B1556
PHE B1537
TYR B1557
 None
 1.44A 3ccfB-5c9sB:
undetectable		 3ccfB-5c9sB:
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.
5cmn LATROPHILIN-3

(Homo sapiens) 		PF02191
(OLF) 		4 ILE E 169
TRP E 158
PHE E 149
TYR E 185
 None
 1.27A 3ccfB-5cmnE:
undetectable		 3ccfB-5cmnE:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 ILE A  47
TRP A 294
TYR A  43
ARG A 211
 None
None
None
SO4  A 608 (-2.7A)
 1.33A 3ccfB-5df0A:
undetectable		 3ccfB-5df0A:
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.
5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
PF08996
(zf-DNA_Pol) 		4 HIS C 794
ASN C 774
ILE C 775
TRP C 345
 None
 1.40A 3ccfB-5exrC:
undetectable		 3ccfB-5exrC:
13.45
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.
5f5w GLYCINE--TRNA LIGASE
ALPHA SUBUNIT

(Aquifex
aeolicus) 		PF02091
(tRNA-synt_2e) 		4 ILE A 157
TRP A  14
PHE A  13
TYR A 159
 None
 1.43A 3ccfB-5f5wA:
undetectable		 3ccfB-5f5wA:
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 HIS A 597
ILE A 331
TRP A 596
ARG A 319
 None
 1.46A 3ccfB-5f7cA:
undetectable		 3ccfB-5f7cA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3

(Mus musculus) 		PF02140
(Gal_Lectin)
PF02191
(OLF) 		4 ILE C 237
TRP C 226
PHE C 217
TYR C 253
 None
 1.29A 3ccfB-5fttC:
undetectable		 3ccfB-5fttC:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 4 ILE A 152
TRP A  95
PHE A  94
TYR A 123
 None
 1.28A 3ccfB-5gleA:
3.1		 3ccfB-5gleA:
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 HIS A 118
ILE A 173
TRP A 110
PHE A 113
 None
 1.30A 3ccfB-5hvfA:
undetectable		 3ccfB-5hvfA:
19.52
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 ILE A 230
TRP A 107
PHE A 106
ARG A 711
 None
 1.42A 3ccfB-5jwfA:
undetectable		 3ccfB-5jwfA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29

(Homo sapiens) 		no annotation 4 HIS A 115
ASN A 140
TYR A 139
ARG A  14
 None
 1.45A 3ccfB-5oshA:
undetectable		 3ccfB-5oshA:
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.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		4 ILE A 225
TRP A 174
TRP A 134
PHE A 121
 None
 1.48A 3ccfB-5tlcA:
undetectable		 3ccfB-5tlcA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wwm RRNA BIOGENESIS
PROTEIN RRP5

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A1525
ILE A1556
PHE A1537
TYR A1557
 None
 1.41A 3ccfB-5wwmA:
undetectable		 3ccfB-5wwmA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 4 ILE A 154
TRP A  97
PHE A  96
TYR A 125
 None
 1.20A 3ccfB-5wxvA:
3.5		 3ccfB-5wxvA:
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 ASN A 303
ILE A 328
PHE A 315
TYR A 305
 None
 1.49A 3ccfB-5x1nA:
undetectable		 3ccfB-5x1nA:
21.68
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		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) 		4 ILE B 687
TRP B 678
PHE B  24
TYR B 689
 None
 0.98A 3ccfB-5xogB:
undetectable		 3ccfB-5xogB:
12.41
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.
5y33 ALGINATE LYASE

(Flavobacterium
sp. UMI-01) 		no annotation 4 HIS A 124
ILE A 119
TYR A 239
ARG A  74
 None
 1.04A 3ccfB-5y33A:
undetectable		 3ccfB-5y33A:
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.
5zu5 ALGINATE LYASE

(Vibrio
splendidus) 		no annotation 4 HIS A 360
ILE A 355
TYR A 466
ARG A 289
 None
 1.01A 3ccfB-5zu5A:
undetectable		 3ccfB-5zu5A:
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 4 ASN A  90
ILE A  88
PHE A  65
TYR A  77
 None
 1.37A 3ccfB-6b82A:
undetectable		 3ccfB-6b82A:
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.
6fn0 -

(-) 		no annotation 4 HIS A 361
ASN A 398
TRP A 401
TRP A 294
 FAD  A 501 (-4.3A)
FAD  A 501 (-3.0A)
None
None
 1.07A 3ccfB-6fn0A:
2.9		 3ccfB-6fn0A:
undetectable