SIMILAR PATTERNS OF AMINO ACIDS FOR 1ERR_A_CCSA381_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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 GLU A 398
ALA A 400
SER A  27
HIS A 428
 None
 1.14A 1errA-1csjA:
0.0
1errB-1csjA:
0.3		 1errA-1csjA:
20.68
1errB-1csjA:
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.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 HIS A 154
GLU A 163
ALA A 242
SER A 244
 None
MG  A1432 ( 4.7A)
None
None
 1.25A 1errA-1iyxA:
0.0
1errB-1iyxA:
0.0		 1errA-1iyxA:
20.76
1errB-1iyxA:
20.76
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.
1ko8 GLUCONATE KINASE

(Escherichia
coli) 		PF01202
(SKI) 		4 HIS A  33
ALA A  35
SER A  83
HIS A   8
 None
 1.33A 1errA-1ko8A:
0.0
1errB-1ko8A:
0.0		 1errA-1ko8A:
19.76
1errB-1ko8A:
19.76
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.
1p22 F-BOX/WD-REPEAT
PROTEIN 1A

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 HIS A 469
ALA A 434
SER A 448
HIS A 429
 None
None
SEP  C  37 ( 2.8A)
None
 1.23A 1errA-1p22A:
0.0
1errB-1p22A:
0.4		 1errA-1p22A:
19.13
1errB-1p22A:
19.13
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		4 HIS A  63
GLU A 114
ALA A 161
HIS A 129
 None
 1.26A 1errA-1qfxA:
0.0
1errB-1qfxA:
0.0		 1errA-1qfxA:
19.74
1errB-1qfxA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sjp 60 KDA CHAPERONIN 2

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		4 HIS A 391
GLU A 394
ALA A 396
SER A 149
 None
 1.13A 1errA-1sjpA:
0.0
1errB-1sjpA:
0.0		 1errA-1sjpA:
18.91
1errB-1sjpA:
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.
1t71 PHOSPHATASE

(Mycoplasma
pneumoniae) 		PF13277
(YmdB) 		4 HIS A 233
GLU A 235
ALA A 217
SER A 222
 None
 1.02A 1errA-1t71A:
undetectable
1errB-1t71A:
0.0		 1errA-1t71A:
21.52
1errB-1t71A:
21.52
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.
1ukm EMS16 A CHAIN
EMS16 B CHAIN

(Echis
multisquamatus;
Echis
multisquamatus) 		PF00059
(Lectin_C)
PF00059
(Lectin_C) 		4 GLU B  77
ALA B  82
SER A  43
HIS A  40
 None
 1.32A 1errA-1ukmB:
undetectable
1errB-1ukmB:
undetectable		 1errA-1ukmB:
16.94
1errB-1ukmB:
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.
1vcg ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Thermus
thermophilus) 		PF01070
(FMN_dh) 		4 HIS A 233
GLU A 224
ALA A 159
HIS A 191
 None
 1.42A 1errA-1vcgA:
0.0
1errB-1vcgA:
0.0		 1errA-1vcgA:
22.22
1errB-1vcgA:
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.
1x5w ZINC FINGER PROTEIN
64, ISOFORMS 1

(Homo sapiens) 		PF00096
(zf-C2H2)
PF13909
(zf-H2C2_5) 		4 HIS A  28
GLU A  29
ALA A  23
SER A  21
 ZN  A 201 (-3.5A)
None
None
None
 1.21A 1errA-1x5wA:
undetectable
1errB-1x5wA:
undetectable		 1errA-1x5wA:
11.46
1errB-1x5wA:
11.46
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.
1z2z PROBABLE TRNA
PSEUDOURIDINE
SYNTHASE D

(Methanosarcina
mazei) 		PF01142
(TruD) 		4 HIS A 239
GLU A 240
ALA A 198
SER A 257
 None
 1.32A 1errA-1z2zA:
0.0
1errB-1z2zA:
undetectable		 1errA-1z2zA:
21.48
1errB-1z2zA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z48 PROBABLE
NADH-DEPENDENT
FLAVIN
OXIDOREDUCTASE YQJM

(Bacillus
subtilis) 		PF00724
(Oxidored_FMN) 		4 HIS A 105
GLU A 145
ALA A 149
HIS A  81
 None
 1.02A 1errA-1z48A:
undetectable
1errB-1z48A:
undetectable		 1errA-1z48A:
22.06
1errB-1z48A:
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.
2a7w PHOSPHORIBOSYL-ATP
PYROPHOSPHATASE

(Chromobacterium
violaceum) 		PF01503
(PRA-PH) 		4 HIS A  70
GLU A  43
ALA A  45
HIS A  59
 None
 1.42A 1errA-2a7wA:
undetectable
1errB-2a7wA:
undetectable		 1errA-2a7wA:
19.20
1errB-2a7wA:
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.
2c4t 5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE

(Streptomyces
cattleya) 		PF01887
(SAM_adeno_trans) 		4 GLU A 160
ALA A 163
SER A 166
HIS A 168
 None
 1.26A 1errA-2c4tA:
undetectable
1errB-2c4tA:
undetectable		 1errA-2c4tA:
22.33
1errB-2c4tA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2crw ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 3

(Homo sapiens) 		PF01412
(ArfGap) 		4 GLU A 122
ALA A 117
SER A 114
HIS A 101
 None
 1.05A 1errA-2crwA:
undetectable
1errB-2crwA:
undetectable		 1errA-2crwA:
20.87
1errB-2crwA:
20.87
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.
2dq3 SERYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 HIS A 380
GLU A 357
ALA A 331
SER A 354
 None
 1.38A 1errA-2dq3A:
undetectable
1errB-2dq3A:
undetectable		 1errA-2dq3A:
20.51
1errB-2dq3A:
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 HIS A 155
GLU A 428
ALA A 430
SER A 435
 GOL  A 778 (-4.3A)
GOL  A 778 (-2.8A)
None
None
 1.39A 1errA-2f3oA:
undetectable
1errB-2f3oA:
undetectable		 1errA-2f3oA:
15.34
1errB-2f3oA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f7v AECTYLCITRULLINE
DEACETYLASE

(Xanthomonas
campestris) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 HIS A 340
GLU A 344
ALA A 342
SER A  79
 None
 1.03A 1errA-2f7vA:
undetectable
1errB-2f7vA:
undetectable		 1errA-2f7vA:
19.53
1errB-2f7vA:
19.53
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.
2j49 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 5

(Saccharomyces
cerevisiae) 		PF04494
(TFIID_NTD2) 		4 HIS A 212
GLU A 215
ALA A 234
HIS A 240
 None
 1.33A 1errA-2j49A:
undetectable
1errB-2j49A:
undetectable		 1errA-2j49A:
20.70
1errB-2j49A:
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.
2l6l DNAJ HOMOLOG
SUBFAMILY C MEMBER
24

(Homo sapiens) 		PF00226
(DnaJ)
PF05207
(zf-CSL) 		4 HIS A 147
GLU A 129
SER A 110
HIS A 109
 None
 1.42A 1errA-2l6lA:
undetectable
1errB-2l6lA:
undetectable		 1errA-2l6lA:
18.94
1errB-2l6lA:
18.94
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.
2m6r FLAVODOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		4 HIS A 143
GLU A 142
ALA A  22
HIS A  31
 None
 1.16A 1errA-2m6rA:
undetectable
1errB-2m6rA:
undetectable		 1errA-2m6rA:
22.18
1errB-2m6rA:
22.18
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		4 GLU A 652
ALA A 486
SER A 484
HIS A 480
 None
 1.12A 1errA-2o36A:
undetectable
1errB-2o36A:
undetectable		 1errA-2o36A:
17.51
1errB-2o36A:
17.51
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.
2ovl PUTATIVE RACEMASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 223
ALA A 198
SER A  23
HIS A  25
 NA  A 400 (-3.6A)
None
None
None
 1.27A 1errA-2ovlA:
undetectable
1errB-2ovlA:
undetectable		 1errA-2ovlA:
21.29
1errB-2ovlA:
21.29
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 HIS A 300
GLU A 326
ALA A 309
SER A 304
 None
 1.40A 1errA-2qgyA:
undetectable
1errB-2qgyA:
undetectable		 1errA-2qgyA:
21.30
1errB-2qgyA:
21.30
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.
2qks KIR3.1-PROKARYOTIC
KIR CHANNEL CHIMERA

(Mus musculus;
Paraburkholderia
xenovorans) 		PF01007
(IRK) 		4 HIS A 293
GLU A 145
ALA A 147
HIS A 272
 None
 1.32A 1errA-2qksA:
undetectable
1errB-2qksA:
undetectable		 1errA-2qksA:
22.43
1errB-2qksA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF02542
(YgbB) 		4 HIS A  82
ALA A  77
SER A  75
HIS A  45
 None
None
None
ZN  A1157 (-3.2A)
 1.39A 1errA-2uzhA:
undetectable
1errB-2uzhA:
undetectable		 1errA-2uzhA:
19.76
1errB-2uzhA:
19.76
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.
2w1k PUTATIVE SORTASE

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		4 HIS A 116
GLU A  79
ALA A 113
HIS A 144
 None
 1.38A 1errA-2w1kA:
undetectable
1errB-2w1kA:
undetectable		 1errA-2w1kA:
21.28
1errB-2w1kA:
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 HIS A 276
ALA A 274
SER A 272
HIS A 407
 None
 1.38A 1errA-2wgeA:
undetectable
1errB-2wgeA:
undetectable		 1errA-2wgeA:
21.34
1errB-2wgeA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xe4 OLIGOPEPTIDASE B

(Leishmania
major) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 HIS A 661
GLU A 694
ALA A 700
SER A 699
 None
None
None
PGR  A1777 (-3.3A)
 1.31A 1errA-2xe4A:
undetectable
1errB-2xe4A:
undetectable		 1errA-2xe4A:
16.23
1errB-2xe4A:
16.23
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.
2ysk HYPOTHETICAL PROTEIN
TTHA1432

(Thermus
thermophilus) 		PF10025
(DUF2267) 		4 HIS A  44
GLU A  96
ALA A  38
HIS A  33
 None
 1.38A 1errA-2yskA:
undetectable
1errB-2yskA:
undetectable		 1errA-2yskA:
22.13
1errB-2yskA:
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.
3at7 ALGINATE-BINDING
FLAGELLIN

(Sphingomonas
sp. A1) 		PF09375
(Peptidase_M75) 		4 GLU A  86
ALA A  93
SER A  97
HIS A 115
 None
 1.01A 1errA-3at7A:
undetectable
1errB-3at7A:
undetectable		 1errA-3at7A:
24.27
1errB-3at7A:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		4 HIS A  86
GLU A  88
ALA A  90
SER A 376
 None
 1.35A 1errA-3bzmA:
undetectable
1errB-3bzmA:
undetectable		 1errA-3bzmA:
22.02
1errB-3bzmA:
22.02
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 HIS A 854
GLU A 859
ALA A 861
HIS A 884
 None
 1.07A 1errA-3egwA:
undetectable
1errB-3egwA:
undetectable		 1errA-3egwA:
13.28
1errB-3egwA:
13.28
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 HIS A 276
GLU A 175
ALA A 271
HIS A 256
 None
 1.21A 1errA-3fefA:
undetectable
1errB-3fefA:
undetectable		 1errA-3fefA:
19.17
1errB-3fefA:
19.17
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.
3hfw PROTEIN
ADP-RIBOSYLARGININE
HYDROLASE

(Homo sapiens) 		PF03747
(ADP_ribosyl_GH) 		4 HIS A 164
GLU A 126
ALA A 131
SER A 158
 None
 1.32A 1errA-3hfwA:
undetectable
1errB-3hfwA:
1.6		 1errA-3hfwA:
21.35
1errB-3hfwA:
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.
3lms CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 HIS A1501
ALA A 250
SER A 207
HIS A 242
 None
GLY  A 501 ( 4.9A)
None
None
 1.31A 1errA-3lmsA:
undetectable
1errB-3lmsA:
undetectable		 1errA-3lmsA:
19.02
1errB-3lmsA:
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.
3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 HIS A 150
GLU A  86
ALA A 143
HIS A  20
 GOL  A 515 (-3.8A)
GOL  A 515 (-4.2A)
None
None
 1.23A 1errA-3mzbA:
undetectable
1errB-3mzbA:
undetectable		 1errA-3mzbA:
20.48
1errB-3mzbA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qc2 GLYCOSYL HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		4 HIS A 232
GLU A 231
SER A 267
HIS A 292
 None
 1.31A 1errA-3qc2A:
undetectable
1errB-3qc2A:
undetectable		 1errA-3qc2A:
20.44
1errB-3qc2A:
20.44
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.
3qgh RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		4 GLU A 398
ALA A 400
SER A  27
HIS A 428
 None
 1.23A 1errA-3qghA:
undetectable
1errB-3qghA:
undetectable		 1errA-3qghA:
19.03
1errB-3qghA:
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.
3qpb URIDINE
PHOSPHORYLASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		4 HIS A 208
GLU A  82
ALA A 201
SER A 123
 None
 1.36A 1errA-3qpbA:
undetectable
1errB-3qpbA:
undetectable		 1errA-3qpbA:
22.11
1errB-3qpbA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rbl AROMATIC L-AMINO
ACID DECARBOXYLASE

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 HIS A 302
ALA A  88
SER A  85
HIS A  72
 None
 1.34A 1errA-3rblA:
undetectable
1errB-3rblA:
undetectable		 1errA-3rblA:
20.75
1errB-3rblA:
20.75
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli;
Escherichia
coli) 		no annotation
no annotation 		4 HIS N 224
GLU L 587
ALA N 288
SER N 301
 None
 1.30A 1errA-3rkoN:
1.9
1errB-3rkoN:
undetectable		 1errA-3rkoN:
21.21
1errB-3rkoN:
21.21
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		4 HIS A 137
GLU A 131
ALA A 134
HIS A  85
 None
 1.34A 1errA-3rxzA:
undetectable
1errB-3rxzA:
undetectable		 1errA-3rxzA:
24.01
1errB-3rxzA:
24.01
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.
3sxs CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 HIS A 650
GLU A 651
ALA A 580
SER A 593
 None
 1.14A 1errA-3sxsA:
undetectable
1errB-3sxsA:
undetectable		 1errA-3sxsA:
22.57
1errB-3sxsA:
22.57
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.
3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 HIS A 328
GLU A 216
ALA A 332
SER A 168
 None
 0.99A 1errA-3sybA:
undetectable
1errB-3sybA:
undetectable		 1errA-3sybA:
19.57
1errB-3sybA:
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.
3t9w SMALL LACCASE,
MULTI-COPPER OXIDASE

(Amycolatopsis
sp. ATCC 39116) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 HIS A 193
ALA A 287
SER A 282
HIS A 281
 NI  A 307 (-3.6A)
None
None
CU  A 311 (-3.1A)
 1.27A 1errA-3t9wA:
undetectable
1errB-3t9wA:
undetectable		 1errA-3t9wA:
21.14
1errB-3t9wA:
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.
3u80 3-DEHYDROQUINATE
DEHYDRATASE, TYPE II

(Bifidobacterium
longum) 		PF01220
(DHquinase_II) 		4 HIS A  80
GLU A  54
ALA A  86
SER A 120
 None
 1.17A 1errA-3u80A:
undetectable
1errB-3u80A:
undetectable		 1errA-3u80A:
20.72
1errB-3u80A:
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		4 HIS A 835
GLU A 924
ALA A 919
HIS A 953
 None
 1.39A 1errA-3ummA:
undetectable
1errB-3ummA:
undetectable		 1errA-3ummA:
12.18
1errB-3ummA:
12.18
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.
3vsz RICIN B LECTIN

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43)
PF14200
(RicinB_lectin_2) 		4 GLU A 199
ALA A 197
SER A 195
HIS A 130
 None
 1.13A 1errA-3vszA:
undetectable
1errB-3vszA:
undetectable		 1errA-3vszA:
17.42
1errB-3vszA:
17.42
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.
3w18 AURORA KINASE A

(Homo sapiens) 		PF00069
(Pkinase) 		4 HIS A 254
ALA A 241
SER A 245
HIS A 190
 None
 1.16A 1errA-3w18A:
undetectable
1errB-3w18A:
undetectable		 1errA-3w18A:
22.68
1errB-3w18A:
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.
4a3r ENOLASE

(Bacillus
subtilis) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 HIS A 155
GLU A 164
ALA A 243
SER A 245
 None
 1.19A 1errA-4a3rA:
undetectable
1errB-4a3rA:
undetectable		 1errA-4a3rA:
22.44
1errB-4a3rA:
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.
4afi AP-3 COMPLEX SUBUNIT
DELTA-1,
VESICLE-ASSOCIATED
MEMBRANE PROTEIN 7

(Homo sapiens;
Mus musculus) 		PF06375
(AP3D1)
PF13774
(Longin) 		4 GLU A 124
ALA A  55
SER A 171
HIS A 170
 None
 1.27A 1errA-4afiA:
undetectable
1errB-4afiA:
undetectable		 1errA-4afiA:
18.90
1errB-4afiA:
18.90
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.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		4 HIS A  35
GLU A  99
ALA A 102
SER A 109
 None
 1.16A 1errA-4az3A:
undetectable
1errB-4az3A:
undetectable		 1errA-4az3A:
21.54
1errB-4az3A:
21.54
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.
4bgo EFEM M75 PEPTIDASE

(Pseudomonas
syringae) 		PF09375
(Peptidase_M75) 		4 GLU A  97
ALA A 104
SER A 108
HIS A 126
 None
 1.04A 1errA-4bgoA:
undetectable
1errB-4bgoA:
undetectable		 1errA-4bgoA:
22.80
1errB-4bgoA:
22.80
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.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 HIS A 139
GLU A 254
ALA A 261
SER A 248
 None
 1.35A 1errA-4bguA:
undetectable
1errB-4bguA:
undetectable		 1errA-4bguA:
21.97
1errB-4bguA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bp8 OLIGOPEPTIDASE B

(Trypanosoma
brucei) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 HIS A 545
GLU A 449
ALA A 508
HIS A 511
 None
 1.18A 1errA-4bp8A:
undetectable
1errB-4bp8A:
undetectable		 1errA-4bp8A:
15.87
1errB-4bp8A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 HIS A  56
GLU A  59
ALA A 221
HIS A 225
 None
 1.30A 1errA-4c2tA:
undetectable
1errB-4c2tA:
undetectable		 1errA-4c2tA:
16.24
1errB-4c2tA:
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 HIS A  56
GLU A  59
ALA A 221
HIS A 225
 None
 1.36A 1errA-4c30A:
1.9
1errB-4c30A:
undetectable		 1errA-4c30A:
17.40
1errB-4c30A:
17.40
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.
4dje CORRINOID/IRON-SULFU
R PROTEIN SMALL
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD) 		4 HIS D  44
GLU D  47
ALA D 322
SER D 320
 None
 1.32A 1errA-4djeD:
undetectable
1errB-4djeD:
undetectable		 1errA-4djeD:
19.83
1errB-4djeD:
19.83
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		4 GLU A 322
ALA A  71
SER A 130
HIS A  74
 MG  A 502 (-4.4A)
None
None
ZN  A 501 (-3.2A)
 1.36A 1errA-4dykA:
undetectable
1errB-4dykA:
undetectable		 1errA-4dykA:
20.93
1errB-4dykA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewp 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Micrococcus
luteus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 HIS A 107
GLU A 108
ALA A 102
SER A 100
 None
 1.22A 1errA-4ewpA:
undetectable
1errB-4ewpA:
undetectable		 1errA-4ewpA:
20.81
1errB-4ewpA:
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		4 HIS A  69
GLU A 386
ALA A  71
SER A 133
 None
 1.40A 1errA-4j9tA:
undetectable
1errB-4j9tA:
undetectable		 1errA-4j9tA:
22.28
1errB-4j9tA:
22.28
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.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		4 HIS A 378
GLU A 377
ALA A 435
SER A 437
 None
FE  A 601 ( 1.9A)
None
None
 1.39A 1errA-4jo0A:
undetectable
1errB-4jo0A:
undetectable		 1errA-4jo0A:
17.44
1errB-4jo0A:
17.44
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.
4mwt LYSOSOMAL PROTECTIVE
PROTEIN

(Homo sapiens) 		PF00450
(Peptidase_S10) 		4 HIS A  35
GLU A  99
ALA A 102
SER A 109
 HIS  A  35 ( 1.0A)
GLU  A  99 ( 0.5A)
ALA  A 102 ( 0.0A)
SER  A 109 ( 0.0A)
 1.11A 1errA-4mwtA:
undetectable
1errB-4mwtA:
undetectable		 1errA-4mwtA:
20.65
1errB-4mwtA:
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.
4oaq R-SPECIFIC CARBONYL
REDUCTASE

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 HIS A  36
GLU A 147
ALA A 145
SER A  99
 None
 1.41A 1errA-4oaqA:
undetectable
1errB-4oaqA:
undetectable		 1errA-4oaqA:
20.16
1errB-4oaqA:
20.16
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.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 GLU A 342
ALA A 350
SER A 352
HIS A 321
 None
 1.32A 1errA-4oe5A:
undetectable
1errB-4oe5A:
undetectable		 1errA-4oe5A:
17.70
1errB-4oe5A:
17.70
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.
4p56 PUTATIVE
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		4 HIS A 277
GLU A 212
ALA A 114
HIS A 238
 None
RMN  A 401 ( 4.4A)
None
RMN  A 401 ( 4.4A)
 1.29A 1errA-4p56A:
undetectable
1errB-4p56A:
undetectable		 1errA-4p56A:
21.90
1errB-4p56A:
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.
4q8h PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		4 HIS A1015
ALA A 911
SER A1068
HIS A1066
 None
None
MG  A1202 ( 4.8A)
MG  A1202 (-4.0A)
 1.32A 1errA-4q8hA:
undetectable
1errB-4q8hA:
undetectable		 1errA-4q8hA:
16.47
1errB-4q8hA:
16.47
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		4 HIS A 259
GLU A 311
ALA A 326
SER A 331
 None
 1.34A 1errA-4qjyA:
undetectable
1errB-4qjyA:
undetectable		 1errA-4qjyA:
18.36
1errB-4qjyA:
18.36
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.
4rnz CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		4 HIS A 217
GLU A 225
ALA A 223
HIS A 365
 None
 1.13A 1errA-4rnzA:
undetectable
1errB-4rnzA:
undetectable		 1errA-4rnzA:
20.41
1errB-4rnzA:
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.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		4 HIS A  95
ALA A 222
SER A 100
HIS A 102
 ASC  A 303 (-2.7A)
None
None
None
 1.24A 1errA-4twlA:
undetectable
1errB-4twlA:
undetectable		 1errA-4twlA:
21.03
1errB-4twlA:
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 HIS A 192
GLU A 257
ALA A 189
SER A 251
 None
 1.36A 1errA-4txgA:
undetectable
1errB-4txgA:
undetectable		 1errA-4txgA:
15.19
1errB-4txgA:
15.19
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.
4u8u GLOBIN B CHAIN
GLOBIN C CHAIN

(Glossoscolex
paulistus;
Glossoscolex
paulistus) 		PF00042
(Globin)
PF00042
(Globin) 		4 HIS B  90
GLU B  87
ALA B  83
SER C  66
 HEM  C 201 (-4.2A)
None
None
None
 1.19A 1errA-4u8uB:
undetectable
1errB-4u8uB:
undetectable		 1errA-4u8uB:
18.90
1errB-4u8uB:
18.90
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.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 HIS A  59
GLU A 144
ALA A  82
SER A  62
 ZN  A1347 ( 3.4A)
TRS  A1350 (-2.6A)
None
None
 1.33A 1errA-4uekA:
undetectable
1errB-4uekA:
undetectable		 1errA-4uekA:
22.53
1errB-4uekA:
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.
4uul L-LACTATE
DEHYDROGENASE

(Trichomonas
vaginalis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 HIS A 235
GLU A 234
ALA A 229
SER A 240
 None
 1.29A 1errA-4uulA:
undetectable
1errB-4uulA:
undetectable		 1errA-4uulA:
21.45
1errB-4uulA:
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		4 HIS A 468
GLU A 219
ALA A 215
HIS A 477
 None
 1.39A 1errA-4wj3A:
undetectable
1errB-4wj3A:
undetectable		 1errA-4wj3A:
19.88
1errB-4wj3A:
19.88
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.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620) 		no annotation 4 HIS A 374
GLU A 400
ALA A 398
SER A 406
 None
NAG  A1004 (-3.9A)
None
None
 1.38A 1errA-4xn3A:
undetectable
1errB-4xn3A:
undetectable		 1errA-4xn3A:
17.17
1errB-4xn3A:
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 GLU A 489
ALA A 411
SER A 432
HIS A 436
 None
 1.27A 1errA-5a8rA:
undetectable
1errB-5a8rA:
undetectable		 1errA-5a8rA:
18.67
1errB-5a8rA:
18.67
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 HIS A 486
GLU A 489
ALA A 407
HIS A 397
 DYA  A 452 ( 3.9A)
None
None
MGN  A 402 ( 4.7A)
 1.42A 1errA-5a8rA:
undetectable
1errB-5a8rA:
undetectable		 1errA-5a8rA:
18.67
1errB-5a8rA:
18.67
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.
5ck7 ADP-DEPENDENT
GLUCOKINASE

(Mus musculus) 		PF04587
(ADP_PFK_GK) 		4 HIS A 295
GLU A 297
ALA A 481
HIS A 386
 None
None
None
AMP  A 601 (-4.8A)
 1.43A 1errA-5ck7A:
undetectable
1errB-5ck7A:
undetectable		 1errA-5ck7A:
20.94
1errB-5ck7A:
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.
5et1 ESPIN

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		4 HIS A 184
GLU A 182
ALA A 212
HIS A 252
 None
GOL  C1301 ( 4.8A)
None
None
 1.12A 1errA-5et1A:
undetectable
1errB-5et1A:
undetectable		 1errA-5et1A:
21.49
1errB-5et1A:
21.49
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.
5et1 ESPIN

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4)
PF13857
(Ank_5) 		4 HIS A 184
GLU A 182
ALA A 213
HIS A 252
 None
GOL  C1301 ( 4.8A)
None
None
 1.29A 1errA-5et1A:
undetectable
1errB-5et1A:
undetectable		 1errA-5et1A:
21.49
1errB-5et1A:
21.49
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.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		4 HIS A 141
GLU A 117
ALA A 111
SER A 534
 None
None
None
NAG  A1009 ( 4.9A)
 1.34A 1errA-5fx8A:
undetectable
1errB-5fx8A:
undetectable		 1errA-5fx8A:
18.15
1errB-5fx8A:
18.15
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 HIS B 148
ALA B 156
SER B 154
HIS B 291
 SF4  B 320 ( 4.8A)
CL  B1319 (-4.0A)
None
None
 1.38A 1errA-5g5gB:
undetectable
1errB-5g5gB:
undetectable		 1errA-5g5gB:
20.36
1errB-5g5gB:
20.36
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		4 HIS A 242
GLU A 264
ALA A  27
HIS A  24
 None
 1.36A 1errA-5gw8A:
undetectable
1errB-5gw8A:
undetectable		 1errA-5gw8A:
21.31
1errB-5gw8A:
21.31
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.
5jxm PRIB

(Streptomyces
sp. RM-5-8) 		PF11991
(Trp_DMAT) 		4 HIS A  90
GLU A 387
ALA A 385
SER A 383
 None
 1.06A 1errA-5jxmA:
undetectable
1errB-5jxmA:
undetectable		 1errA-5jxmA:
21.88
1errB-5jxmA:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF01059
(Oxidored_q5_N) 		4 GLU M 433
ALA M 435
SER M 438
HIS M 440
 None
 1.08A 1errA-5lc5M:
undetectable
1errB-5lc5M:
undetectable		 1errA-5lc5M:
21.90
1errB-5lc5M:
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.
5lmz FLUORINASE

(Streptomyces
sp. MA37) 		PF01887
(SAM_adeno_trans) 		4 GLU A 160
ALA A 163
SER A 166
HIS A 168
 None
 1.27A 1errA-5lmzA:
undetectable
1errB-5lmzA:
undetectable		 1errA-5lmzA:
21.61
1errB-5lmzA:
21.61
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.
5lph CENTROSOMAL PROTEIN
OF 104 KDA

(Homo sapiens) 		no annotation 4 GLU A 624
ALA A 584
SER A 580
HIS A 582
 None
 1.33A 1errA-5lphA:
undetectable
1errB-5lphA:
undetectable		 1errA-5lphA:
24.50
1errB-5lphA:
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.
5lqd ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Streptomyces
venezuelae) 		PF00982
(Glyco_transf_20) 		4 GLU A 390
ALA A 386
SER A 383
HIS A 400
 None
 1.13A 1errA-5lqdA:
undetectable
1errB-5lqdA:
undetectable		 1errA-5lqdA:
19.87
1errB-5lqdA:
19.87
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.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		4 HIS A 460
ALA A 466
SER A 469
HIS A 115
 None
FAD  A 501 (-3.1A)
None
None
 1.37A 1errA-5ttkA:
undetectable
1errB-5ttkA:
undetectable		 1errA-5ttkA:
19.56
1errB-5ttkA:
19.56
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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 HIS B 190
ALA B 185
SER B 145
HIS B 137
 None
 1.15A 1errA-5w3jB:
undetectable
1errB-5w3jB:
undetectable		 1errA-5w3jB:
19.43
1errB-5w3jB:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wrp PYRUVATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 4 HIS A 345
GLU A 267
ALA A 265
HIS A 387
 None
 1.41A 1errA-5wrpA:
undetectable
1errB-5wrpA:
undetectable		 1errA-5wrpA:
20.42
1errB-5wrpA:
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.
5zq6 SIDE

(Legionella
pneumophila) 		no annotation 4 HIS A 463
GLU A 419
ALA A 530
SER A 457
 None
 1.14A 1errA-5zq6A:
undetectable
1errB-5zq6A:
undetectable		 1errA-5zq6A:
undetectable
1errB-5zq6A:
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.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 4 HIS A 280
GLU A 282
ALA A 117
SER A 121
 None
 0.96A 1errA-6c8zA:
undetectable
1errB-6c8zA:
undetectable		 1errA-6c8zA:
undetectable
1errB-6c8zA:
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.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 4 HIS A 412
ALA A 418
SER A 421
HIS A  67
 None
FAD  A 507 (-3.4A)
None
None
 1.40A 1errA-6cr0A:
undetectable
1errB-6cr0A:
undetectable		 1errA-6cr0A:
undetectable
1errB-6cr0A:
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.
6dgi D-ALANINE--D-ALANINE
LIGASE

(Vibrio cholerae) 		no annotation 4 HIS A 276
GLU A 211
ALA A 209
HIS A 316
 None
 1.16A 1errA-6dgiA:
undetectable
1errB-6dgiA:
undetectable		 1errA-6dgiA:
undetectable
1errB-6dgiA:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 4 HIS B 664
GLU B 519
ALA B 521
SER B 524
 None
 1.34A 1errA-6evjB:
undetectable
1errB-6evjB:
undetectable		 1errA-6evjB:
undetectable
1errB-6evjB:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU A1072
ALA A1074
SER A 938
HIS A 941
 None
 1.18A 1errA-6f42A:
undetectable
1errB-6f42A:
undetectable		 1errA-6f42A:
undetectable
1errB-6f42A:
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.
6f71 GLUTATHIONE
TRANSFERASE

(Trametes
versicolor) 		no annotation 4 GLU A 225
ALA A 227
SER A  13
HIS A  19
 None
 1.10A 1errA-6f71A:
undetectable
1errB-6f71A:
undetectable		 1errA-6f71A:
undetectable
1errB-6f71A:
undetectable