SIMILAR PATTERNS OF AMINO ACIDS FOR 1XIU_B_9CRB202_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.
1air PECTATE LYASE C

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 ILE A  33
ALA A  36
ALA A  35
ALA A  49
VAL A  82
 None
 0.99A 1xiuB-1airA:
undetectable		 1xiuB-1airA:
20.83
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 ILE A  37
ALA A  34
ALA A  96
VAL A   5
LEU A 234
 None
 0.93A 1xiuB-1e19A:
undetectable		 1xiuB-1e19A:
24.92
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ILE B 574
ALA B 577
ALA B 578
LEU B 538
ALA B 640
 None
 0.99A 1xiuB-1ffvB:
undetectable		 1xiuB-1ffvB:
14.43
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.
1g3n V-CYCLIN

(Human
gammaherpesvirus
8) 		PF00134
(Cyclin_N)
PF09080
(K-cyclin_vir_C) 		5 ALA C 200
ALA C 199
LEU C 228
ALA C 238
LEU C 162
 None
 1.06A 1xiuB-1g3nC:
undetectable		 1xiuB-1g3nC:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hg4 ULTRASPIRACLE

(Drosophila
melanogaster) 		PF00104
(Hormone_recep) 		5 LEU A 322
VAL A 382
CYH A 472
HIS A 475
LEU A 476
 LPP  A   1 ( 4.8A)
LPP  A   1 (-4.8A)
LPP  A   1 ( 4.2A)
None
LPP  A   1 (-4.2A)
 0.46A 1xiuB-1hg4A:
24.2		 1xiuB-1hg4A:
41.52
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.
1jl2 CHIMERA OF
RIBONUCLEASE HI,
RIBONUCLEASE H

(Escherichia
coli;
Thermus
thermophilus) 		PF00075
(RNase_H) 		5 ALA A  51
ALA A  52
LEU A  67
ALA A  24
HIS A  72
 None
 1.02A 1xiuB-1jl2A:
undetectable		 1xiuB-1jl2A:
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		5 ILE A 179
ALA A 182
ALA A 183
ALA A 169
HIS A 201
 None
 0.81A 1xiuB-1nmoA:
undetectable		 1xiuB-1nmoA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1on0 YYCN PROTEIN

(Bacillus
subtilis) 		PF00583
(Acetyltransf_1) 		5 ILE A   3
ALA A 112
LEU A  76
ALA A 116
LEU A  96
 None
None
None
None
SO4  A 401 (-4.8A)
 0.96A 1xiuB-1on0A:
undetectable		 1xiuB-1on0A:
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.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A 324
ALA A  66
ALA A  67
GLN A  70
LEU A  50
 None
 1.06A 1xiuB-1ortA:
undetectable		 1xiuB-1ortA:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 350
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A   1 ( 3.7A)
EST  A   1 (-4.0A)
EST  A   1 (-3.7A)
None
EST  A   1 (-3.6A)
 0.92A 1xiuB-1pcgA:
25.7		 1xiuB-1pcgA:
30.15
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.
1pto PERTUSSIS TOXIN
(SUBUNIT S5)

(Bordetella
pertussis) 		PF09276
(Pertus-S5-tox) 		5 ALA F  63
ALA F  60
ALA F  65
VAL F  38
LEU F  86
 None
 0.96A 1xiuB-1ptoF:
undetectable		 1xiuB-1ptoF:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pto PERTUSSIS TOXIN
(SUBUNIT S5)

(Bordetella
pertussis) 		PF09276
(Pertus-S5-tox) 		5 ILE F  70
ALA F  60
LEU F  15
ALA F  65
LEU F  86
 None
 0.96A 1xiuB-1ptoF:
undetectable		 1xiuB-1ptoF:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhg ATP-DEPENDENT
HELICASE PCRA

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 296
ALA A 295
GLN A 294
LEU A 645
LEU A 617
 None
 1.06A 1xiuB-1qhgA:
undetectable		 1xiuB-1qhgA:
16.40
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.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		5 ILE A  83
ALA A  86
ALA A  87
LEU A  92
ALA A  40
 None
 1.00A 1xiuB-1tt4A:
undetectable		 1xiuB-1tt4A:
21.43
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.
1ufh YYCN PROTEIN

(Bacillus
subtilis) 		PF00583
(Acetyltransf_1) 		5 ILE A   3
ALA A 112
LEU A  76
ALA A 116
LEU A  96
 None
 1.04A 1xiuB-1ufhA:
undetectable		 1xiuB-1ufhA:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 ILE A 339
ALA A 342
ALA A 343
GLN A 346
LEU A 380
PHE A 384
ARG A 387
ALA A 398
VAL A 413
CYH A 503
HIS A 506
LEU A 507
 MEI  A1001 (-3.8A)
MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
MEI  A1001 (-3.8A)
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.1A)
MEI  A1001 (-4.0A)
None
MEI  A1001 (-4.6A)
 0.56A 1xiuB-1uhlA:
34.9		 1xiuB-1uhlA:
76.25
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.
1ujs ACTIN-BINDING LIM
PROTEIN HOMOLOGUE

(Homo sapiens) 		PF02209
(VHP)
PF16182
(AbLIM_anchor) 		5 ALA A  79
GLN A  78
VAL A  39
HIS A  47
LEU A  48
 None
 1.04A 1xiuB-1ujsA:
undetectable		 1xiuB-1ujsA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkx PROTEIN (NF-KAPPA B
P50 SUBUNIT)

(Mus musculus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 ILE B 494
ALA B 497
ALA B 498
GLN B 501
LEU B 451
 None
 1.06A 1xiuB-1vkxB:
undetectable		 1xiuB-1vkxB:
23.91
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		5 ILE A  47
ALA A  45
LEU A  87
VAL A 100
LEU A 122
 None
 0.94A 1xiuB-1wraA:
undetectable		 1xiuB-1wraA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
LEU A 309
PHE A 313
ARG A 316
ALA A 327
VAL A 342
CYH A 432
HIS A 435
LEU A 436
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
9CR  A 801 (-4.2A)
9CR  A 801 (-4.3A)
9CR  A 801 (-2.6A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 4.3A)
9CR  A 801 ( 3.7A)
None
9CR  A 801 (-4.7A)
 0.35A 1xiuB-1xlsA:
35.4		 1xiuB-1xlsA:
82.33
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.
1zg5 NITRATE/NITRITE
RESPONSE REGULATOR
PROTEIN NARL

(Escherichia
coli) 		PF00196
(GerE) 		5 ILE A 167
ALA A 207
LEU A 200
VAL A 187
HIS A 190
 None
 1.05A 1xiuB-1zg5A:
undetectable		 1xiuB-1zg5A:
16.10
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.
2abj BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE,
CYTOSOLIC

(Homo sapiens) 		PF01063
(Aminotran_4) 		5 ILE A 292
ALA A 296
GLN A 298
VAL A 335
LEU A 359
 None
 1.06A 1xiuB-2abjA:
undetectable		 1xiuB-2abjA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		5 ILE A  22
ALA A  20
LEU A  62
VAL A  75
LEU A  97
 None
 0.97A 1xiuB-2bibA:
undetectable		 1xiuB-2bibA:
16.73
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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ALA A 685
ALA A 687
GLN A 689
CYH A 636
LEU A 637
 None
 1.03A 1xiuB-2d3tA:
undetectable		 1xiuB-2d3tA:
16.74
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 ALA A  57
ALA A  58
LEU A   5
ALA A  29
VAL A 163
LEU A 171
 None
 0.98A 1xiuB-2dpnA:
undetectable		 1xiuB-2dpnA:
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.
2ebd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Aquifex
aeolicus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 174
ALA A 176
LEU A 292
ALA A 223
VAL A 165
 None
 1.05A 1xiuB-2ebdA:
undetectable		 1xiuB-2ebdA:
24.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gl8 RETINOIC ACID
RECEPTOR RXR-GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A  88
PHE A  92
ARG A  95
ALA A 106
VAL A 121
CYH A 211
 None
 0.57A 1xiuB-2gl8A:
27.7		 1xiuB-2gl8A:
78.01
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.
2gt1 LIPOPOLYSACCHARIDE
HEPTOSYLTRANSFERASE-
1

(Escherichia
coli) 		PF01075
(Glyco_transf_9) 		5 ILE A   5
ALA A  93
LEU A 147
VAL A  51
HIS A  48
 None
 1.06A 1xiuB-2gt1A:
undetectable		 1xiuB-2gt1A:
22.26
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 ILE A  41
ALA A  42
ALA A 277
HIS A 207
LEU A 206
 None
 0.99A 1xiuB-2hg4A:
undetectable		 1xiuB-2hg4A:
13.18
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.
2iec UNCHARACTERIZED
PROTEIN CONSERVED IN
ARCHAEA

(Methanopyrus
kandleri) 		PF04038
(DHNA) 		5 ILE A  49
ALA A  52
ALA A  53
GLN A  56
VAL A  66
 None
 1.01A 1xiuB-2iecA:
undetectable		 1xiuB-2iecA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2job ANTILIPOPOLYSACCHARI
DE FACTOR

(Penaeus monodon) 		PF11630
(DUF3254) 		6 ILE A  91
ALA A  11
LEU A 100
ALA A   9
HIS A  32
LEU A  29
 None
 1.41A 1xiuB-2jobA:
undetectable		 1xiuB-2jobA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nxx ULTRASPIRACLE (USP,
NR2B4)

(Tribolium
castaneum) 		PF00104
(Hormone_recep) 		5 LEU A 255
PHE A 259
ARG A 262
ALA A 273
CYH A 378
 None
 0.92A 1xiuB-2nxxA:
26.8		 1xiuB-2nxxA:
67.23
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.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 350
LEU A 387
ARG A 394
VAL A 418
LEU A 525
 EST  A 596 ( 3.9A)
EST  A 596 ( 4.2A)
EST  A 596 (-4.0A)
CME  A 417 ( 3.2A)
EST  A 596 (-3.6A)
 0.88A 1xiuB-2ocfA:
26.1		 1xiuB-2ocfA:
26.69
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 116
ALA A 119
ALA A 120
LEU A  83
LEU A 135
 None
 0.89A 1xiuB-2ptzA:
undetectable		 1xiuB-2ptzA:
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		5 ILE A 661
ALA A 664
ALA A 665
LEU A 704
ALA A 644
 None
 0.93A 1xiuB-2pziA:
undetectable		 1xiuB-2pziA:
16.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q60 RETINOID X RECEPTOR

(Polyandrocarpa
misakiensis) 		PF00104
(Hormone_recep) 		6 LEU A 184
PHE A 188
ARG A 191
ALA A 202
VAL A 217
CYH A 307
 None
 0.58A 1xiuB-2q60A:
26.5		 1xiuB-2q60A:
69.53
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.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  69
ALA A 103
GLN A 102
VAL A 387
LEU A  38
 None
 1.05A 1xiuB-2qdeA:
undetectable		 1xiuB-2qdeA:
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.
2vml PHYCOCYANIN ALPHA
CHAIN
PHYCOCYANIN BETA
CHAIN

(Gloeobacter
violaceus) 		PF00502
(Phycobilisome) 		5 ALA A  40
ALA A  41
ALA A 150
VAL B  31
LEU B  24
 None
 0.85A 1xiuB-2vmlA:
undetectable		 1xiuB-2vmlA:
18.80
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.
2xgt ASPARAGINYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Brugia malayi) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ALA A 250
ALA A 251
LEU A 527
ALA A 370
LEU A 520
 None
 1.00A 1xiuB-2xgtA:
undetectable		 1xiuB-2xgtA:
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro) 		5 ILE C 247
ALA C 251
ALA C 250
LEU C 232
LEU C 166
 None
 1.00A 1xiuB-2ynmC:
undetectable		 1xiuB-2ynmC:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3am6 RHODOPSIN-2

(Acetabularia
acetabulum) 		PF01036
(Bac_rhodopsin) 		5 ILE A  44
ALA A  47
VAL A  95
CYH A 218
LEU A 219
 None
None
None
None
CLR  A 401 ( 4.6A)
 0.90A 1xiuB-3am6A:
undetectable		 1xiuB-3am6A:
21.43
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.
3bhw UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		PF08849
(DUF1819) 		6 ILE A  93
ALA A  91
ALA A  92
LEU A  15
PHE A  89
ALA A  87
 None
 1.49A 1xiuB-3bhwA:
undetectable		 1xiuB-3bhwA:
22.50
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.
3djc TYPE III
PANTOTHENATE KINASE

(Legionella
pneumophila) 		PF03309
(Pan_kinase) 		5 ALA A 115
ALA A 116
LEU A 220
VAL A 105
CYH A 137
 None
 0.87A 1xiuB-3djcA:
undetectable		 1xiuB-3djcA:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
LEU A 309
PHE A 313
ARG A 316
ALA A 327
VAL A 342
CYH A 432
HIS A 435
LEU A 436
 9CR  A7223 (-3.9A)
9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 ( 4.7A)
9CR  A7223 ( 4.5A)
9CR  A7223 (-3.8A)
9CR  A7223 (-4.3A)
9CR  A7223 ( 4.7A)
 0.58A 1xiuB-3dzuA:
33.1		 1xiuB-3dzuA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		5 LEU A 338
PHE A 342
ALA A 356
VAL A 371
CYH A 461
 None
 0.78A 1xiuB-3eybA:
28.6		 1xiuB-3eybA:
84.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eyb NUCLEAR HORMONE
RECEPTOR RXR

(Branchiostoma
floridae) 		PF00104
(Hormone_recep) 		5 LEU A 338
PHE A 342
VAL A 371
CYH A 461
HIS A 464
 None
 0.72A 1xiuB-3eybA:
28.6		 1xiuB-3eybA:
84.93
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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		5 ILE A 141
ALA A 143
ALA A 144
LEU A 132
ALA A 110
 None
 1.06A 1xiuB-3f4nA:
undetectable		 1xiuB-3f4nA:
26.44
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA B 339
ALA B 340
GLN B 343
LEU B 295
HIS B 254
 None
 0.91A 1xiuB-3h1lB:
undetectable		 1xiuB-3h1lB:
19.55
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.
3ius UNCHARACTERIZED
CONSERVED PROTEIN

(Ruegeria
pomeroyi) 		no annotation 5 ILE A 216
ALA A 219
ALA A 220
GLN A 223
LEU A 225
 None
 1.02A 1xiuB-3iusA:
undetectable		 1xiuB-3iusA:
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.
3k11 PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF07470
(Glyco_hydro_88) 		5 ILE A 228
ALA A 232
ALA A 230
GLN A 233
LEU A 164
 None
 0.94A 1xiuB-3k11A:
undetectable		 1xiuB-3k11A:
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 ILE A  53
ALA A  56
ALA A  57
LEU A  84
VAL A  43
 None
None
None
None
ADP  A 642 (-3.9A)
 0.92A 1xiuB-3k1jA:
undetectable		 1xiuB-3k1jA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0m HIT FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01230
(HIT) 		6 ILE A  67
ALA A  70
ALA A  71
LEU A  76
ALA A 135
HIS A 101
 None
None
None
None
None
AMP  A 155 (-3.8A)
 1.23A 1xiuB-3o0mA:
undetectable		 1xiuB-3o0mA:
24.32
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.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		5 ALA A  77
ALA A  76
ALA A 232
HIS A 347
LEU A 348
 None
 0.89A 1xiuB-3qqvA:
undetectable		 1xiuB-3qqvA:
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.
3qyq DEOXYRIBOSE-PHOSPHAT
E ALDOLASE, PUTATIVE

(Toxoplasma
gondii) 		no annotation 5 ILE A 157
ALA A 160
ALA A 161
LEU A 172
HIS A 189
 None
 0.98A 1xiuB-3qyqA:
undetectable		 1xiuB-3qyqA:
21.59
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.
3rmt 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
halodurans) 		PF00275
(EPSP_synthase) 		5 ALA A 396
ALA A 398
VAL A  21
HIS A 426
LEU A 427
 None
 0.98A 1xiuB-3rmtA:
undetectable		 1xiuB-3rmtA:
19.70
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.
3tm5 CRYSTAL STRUCTURE OF
TRM14

(Pyrococcus
furiosus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ILE A 206
ALA A 207
ALA A 209
LEU A  74
ARG A 191
 None
 1.01A 1xiuB-3tm5A:
undetectable		 1xiuB-3tm5A:
23.58
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.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		5 ALA A 173
ALA A 175
GLN A 174
LEU A  53
ARG A 158
 None
 0.99A 1xiuB-3tmaA:
undetectable		 1xiuB-3tmaA:
23.48
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.
3vn3 ANTIFREEZE PROTEIN

(Typhula
ishikariensis) 		PF11999
(DUF3494) 		6 ILE A  16
ALA A 209
ALA A  18
ALA A 191
VAL A  63
LEU A  44
 None
None
None
IYR  A  91 ( 4.3A)
None
None
 1.42A 1xiuB-3vn3A:
undetectable		 1xiuB-3vn3A:
24.47
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ILE A 333
ALA A 336
GLN A 340
LEU A 368
ALA A 427
 None
 0.69A 1xiuB-3zyvA:
undetectable		 1xiuB-3zyvA:
10.71
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.
4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1
METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00043
(GST_C) 		5 ALA A  64
ALA B  69
GLN B  72
VAL A  40
LEU A  53
 None
 1.06A 1xiuB-4bvxA:
undetectable		 1xiuB-4bvxA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7f ENOLASE

(Trypanosoma
cruzi) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 116
ALA A 119
ALA A 120
LEU A  83
LEU A 135
 None
 0.92A 1xiuB-4g7fA:
undetectable		 1xiuB-4g7fA:
20.09
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.
4gfj TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ALA A 366
ALA A 367
LEU A 356
ALA A 401
LEU A 343
 None
 1.06A 1xiuB-4gfjA:
undetectable		 1xiuB-4gfjA:
17.29
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		5 ILE A 144
ALA A 147
LEU A  37
VAL A 121
LEU A 114
 None
 1.03A 1xiuB-4ifqA:
undetectable		 1xiuB-4ifqA:
13.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 12 ILE D 268
ALA D 271
ALA D 272
GLN D 275
LEU D 309
PHE D 313
ARG D 316
ALA D 327
VAL D 342
CYH D 432
HIS D 435
LEU D 436
 None
 0.48A 1xiuB-4j5xD:
34.3		 1xiuB-4j5xD:
77.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 6 ILE D 268
ALA D 271
GLN D 275
PHE D 313
VAL D 342
HIS D 435
 None
 1.47A 1xiuB-4j5xD:
34.3		 1xiuB-4j5xD:
77.82
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.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 ILE A  39
ALA A  36
ALA A  35
ALA A  96
VAL A   7
 None
 0.85A 1xiuB-4jz7A:
undetectable		 1xiuB-4jz7A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jz7 CARBAMATE KINASE

(Giardia
intestinalis) 		PF00696
(AA_kinase) 		5 ILE A  39
ALA A  36
ALA A  96
VAL A   7
LEU A 235
 None
 0.96A 1xiuB-4jz7A:
undetectable		 1xiuB-4jz7A:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k70 UL37

(Suid
alphaherpesvirus
1) 		PF03970
(Herpes_UL37_1) 		5 ALA A 304
ALA A 305
ARG A 254
VAL A 238
LEU A 294
 None
 0.77A 1xiuB-4k70A:
undetectable		 1xiuB-4k70A:
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.
4ksa MALONYL-COA
DECARBOXYLASE

(Rhodopseudomonas
palustris) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 ALA A 369
ALA A 368
GLN A 365
LEU A 449
LEU A 396
 None
 1.02A 1xiuB-4ksaA:
undetectable		 1xiuB-4ksaA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n5i ESTERASE/LIPASE

(Lactobacillus
rhamnosus) 		PF07859
(Abhydrolase_3) 		5 ILE X 116
ALA X 121
VAL X 226
HIS X 220
LEU X 217
 None
 1.05A 1xiuB-4n5iX:
undetectable		 1xiuB-4n5iX:
20.61
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.
4nn1 TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		5 ILE A  12
ALA A  15
ALA A  16
GLN A  19
ALA A  35
 None
 0.55A 1xiuB-4nn1A:
undetectable		 1xiuB-4nn1A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o27 CALCIUM-BINDING
PROTEIN 39

(Homo sapiens) 		PF08569
(Mo25) 		5 GLN A 165
LEU A 131
VAL A 117
CYH A 150
HIS A 153
 None
 1.06A 1xiuB-4o27A:
undetectable		 1xiuB-4o27A:
22.94
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A6123
ALA A6124
ALA A6352
HIS A6282
LEU A6281
 None
 1.03A 1xiuB-4opfA:
undetectable		 1xiuB-4opfA:
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.
4pxb UREIDOGLYCOLATE
HYDROLASE

(Arabidopsis
thaliana) 		PF01546
(Peptidase_M20) 		5 ALA A 305
ALA A 306
LEU A 348
HIS A 335
LEU A 334
 None
 1.06A 1xiuB-4pxbA:
undetectable		 1xiuB-4pxbA:
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.
4wj1 ANTIGEN MTB48,
MYCOBACTERIAL
PROTEIN

(Mycolicibacterium
smegmatis) 		no annotation 5 ILE A  71
ALA A  74
ALA A  75
LEU A   9
HIS A  17
 None
 0.76A 1xiuB-4wj1A:
undetectable		 1xiuB-4wj1A:
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.
4xia D-XYLOSE ISOMERASE

(Arthrobacter
sp. NRRL B3728) 		PF01261
(AP_endonuc_2) 		6 ILE A 231
ALA A 232
ALA A 234
GLN A 233
LEU A 199
HIS A 242
 None
 1.41A 1xiuB-4xiaA:
undetectable		 1xiuB-4xiaA:
20.52
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.
4zpx ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF13654
(AAA_32) 		5 ILE A  53
ALA A  56
ALA A  57
LEU A  84
VAL A  43
 None
 0.93A 1xiuB-4zpxA:
undetectable		 1xiuB-4zpxA:
21.82
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.
5bra PUTATIVE PERIPLASMIC
BINDING PROTEIN WITH
SUBSTRATE RIBOSE

(Ochrobactrum
anthropi) 		PF13407
(Peripla_BP_4) 		5 ALA A 286
ALA A 289
LEU A 313
ALA A 284
LEU A 319
 None
 1.05A 1xiuB-5braA:
undetectable		 1xiuB-5braA:
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.
5daj NALD

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		5 ILE A  15
ALA A  18
ALA A  19
ALA A  39
HIS A  56
 None
 1.03A 1xiuB-5dajA:
undetectable		 1xiuB-5dajA:
24.90
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 5 ILE A 117
ALA A 116
ALA A 115
PHE A 132
LEU A  39
 None
 1.01A 1xiuB-5gt5A:
undetectable		 1xiuB-5gt5A:
18.71
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.
5h5x PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 ALA A  59
ALA A  56
ARG A  64
ALA A  61
VAL A 101
 None
 1.06A 1xiuB-5h5xA:
undetectable		 1xiuB-5h5xA:
21.11
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.
5j5v IMMUNITY PROTEIN
CDII

(Escherichia
coli) 		no annotation 5 ILE C  30
ALA C  46
GLN C  49
PHE C  27
LEU C  35
 None
 1.05A 1xiuB-5j5vC:
undetectable		 1xiuB-5j5vC:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jr4 TYPE 1 FIMBIRAL
ADHESIN FIMH

(Escherichia
coli) 		PF00419
(Fimbrial)
PF09160
(FimH_man-bind) 		5 ALA A  62
ALA A  63
LEU A  68
VAL A  22
LEU A 109
 None
 0.94A 1xiuB-5jr4A:
undetectable		 1xiuB-5jr4A:
22.34
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		5 ALA A 514
ALA A 539
ALA A 510
VAL A 640
LEU A 608
 None
 1.04A 1xiuB-5t8vA:
undetectable		 1xiuB-5t8vA:
11.01
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.
5thh TYROSINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 ALA A  65
LEU A  13
ALA A  60
VAL A 208
LEU A  31
 None
 0.98A 1xiuB-5thhA:
undetectable		 1xiuB-5thhA:
23.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ALA A 302
LEU A 339
ARG A 346
VAL A 370
LEU A 476
 EST  A 601 ( 3.9A)
EST  A 601 (-3.9A)
EST  A 601 (-4.1A)
None
EST  A 601 (-3.5A)
 1.01A 1xiuB-5toaA:
23.6		 1xiuB-5toaA:
30.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 12 ILE A 268
ALA A 271
ALA A 272
GLN A 275
LEU A 309
PHE A 313
ARG A 316
ALA A 327
VAL A 342
CYH A 432
HIS A 435
LEU A 436
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
9CR  A 503 (-3.7A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-3.4A)
None
9CR  A 503 (-3.3A)
None
9CR  A 503 ( 4.8A)
 0.58A 1xiuB-5uanA:
33.9		 1xiuB-5uanA:
62.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uvm HISTIDINE TRIAD
(HIT) PROTEIN

(Ruminiclostridium
thermocellum) 		PF11969
(DcpS_C) 		5 ILE A  64
ALA A  67
ALA A  68
LEU A 103
ALA A  27
 None
 0.96A 1xiuB-5uvmA:
undetectable		 1xiuB-5uvmA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uvm HISTIDINE TRIAD
(HIT) PROTEIN

(Ruminiclostridium
thermocellum) 		PF11969
(DcpS_C) 		5 ILE A  64
ALA A  67
ALA A  68
LEU A 103
VAL A  50
 None
 0.86A 1xiuB-5uvmA:
undetectable		 1xiuB-5uvmA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4a GLYCOSYLTRANSFERASE
(DUF1792)

(Streptococcus
sanguinis) 		PF08759
(GT-D) 		5 ILE A 183
ALA A 186
LEU A 144
ALA A 269
LEU A 211
 None
 1.05A 1xiuB-5v4aA:
undetectable		 1xiuB-5v4aA:
20.89
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.
5vip MDCD
MDCE

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans)
PF06833
(MdcE) 		5 ALA B 139
ALA B 138
LEU A 245
ARG A 261
ALA B  94
 None
 1.06A 1xiuB-5vipB:
undetectable		 1xiuB-5vipB:
24.31
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.
5xnz CRED

(Streptomyces
cremeus) 		no annotation 5 ILE A  54
ALA A  57
ALA A  58
LEU A  30
ALA A  89
 None
 0.92A 1xiuB-5xnzA:
undetectable		 1xiuB-5xnzA:
15.22
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.
5xym 50S RIBOSOMAL
PROTEIN L22

(Mycolicibacterium
smegmatis) 		PF00237
(Ribosomal_L22) 		5 ALA S  61
ALA S  62
LEU S  76
ALA S  10
LEU S  40
 None
 0.89A 1xiuB-5xymS:
undetectable		 1xiuB-5xymS:
20.26
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.
5xym 50S RIBOSOMAL
PROTEIN L22

(Mycolicibacterium
smegmatis) 		PF00237
(Ribosomal_L22) 		5 ILE S  58
ALA S  61
ALA S  62
LEU S  76
ALA S  10
 None
 0.93A 1xiuB-5xymS:
undetectable		 1xiuB-5xymS:
20.26
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.
5zmy -

(-) 		no annotation 5 ALA A 256
ALA A 255
LEU A 251
PHE A 252
LEU A  28
 None
 0.96A 1xiuB-5zmyA:
undetectable		 1xiuB-5zmyA:
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.
6d95 -

(-) 		no annotation 5 ILE A 129
ALA A 132
ALA A 133
LEU A 138
ALA A 266
 None
 0.95A 1xiuB-6d95A:
undetectable		 1xiuB-6d95A:
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.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 5 ILE B 271
ALA B 275
GLN B 314
LEU B 318
LEU B 260
 None
 0.97A 1xiuB-6exvB:
undetectable		 1xiuB-6exvB:
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 5 ILE A1791
ALA A1794
ALA A1795
LEU A1741
HIS A1781
 None
 1.04A 1xiuB-6ez8A:
undetectable		 1xiuB-6ez8A:
10.00
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.
6f5o POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 5 ILE C 312
ALA C 315
ALA C 316
LEU C 279
VAL C 519
 None
 0.97A 1xiuB-6f5oC:
undetectable		 1xiuB-6f5oC:
17.01