SIMILAR PATTERNS OF AMINO ACIDS FOR 4IB4_A_ERMA2001

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.
1a1s ORNITHINE
CARBAMOYLTRANSFERASE

(Pyrococcus
furiosus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 VAL A 182
ALA A 232
PHE A 247
LEU A 256
VAL A 252
 None
 1.15A 4ib4A-1a1sA:
undetectable		 4ib4A-1a1sA:
21.64
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.
1a6d THERMOSOME (ALPHA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU A 171
VAL A 175
VAL A 384
ALA A 396
VAL A 199
 None
 1.27A 4ib4A-1a6dA:
2.3		 4ib4A-1a6dA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bjn PHOSPHOSERINE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 ALA A  50
PHE A 253
LEU A  61
VAL A  63
VAL A 252
 None
 1.13A 4ib4A-1bjnA:
undetectable		 4ib4A-1bjnA:
23.94
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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		5 VAL A  46
VAL A  70
ALA A 105
PHE A 124
VAL A  30
 None
 1.26A 4ib4A-1cjyA:
undetectable		 4ib4A-1cjyA:
22.19
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.
1f5a POLY(A) POLYMERASE

(Bos taurus) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		5 LEU A  68
VAL A  72
ALA A 120
PHE A 129
PHE A 170
 None
 1.20A 4ib4A-1f5aA:
undetectable		 4ib4A-1f5aA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 281
VAL A 257
ALA A 212
VAL A 195
VAL A 246
 None
 1.25A 4ib4A-1h2bA:
undetectable		 4ib4A-1h2bA:
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		5 SER A 276
VAL A 226
ALA A 316
LEU A 329
VAL A 331
 None
 1.16A 4ib4A-1iwpA:
0.4		 4ib4A-1iwpA:
22.16
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		5 VAL A 301
ALA A 277
PHE A 392
VAL A 341
VAL A 298
 None
 0.95A 4ib4A-1jv1A:
undetectable		 4ib4A-1jv1A:
22.81
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 VAL A 228
TRP A 202
PHE A 223
PHE A 243
LEU A 285
 None
 1.26A 4ib4A-1o94A:
undetectable		 4ib4A-1o94A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A1202
SER A1205
ALA A1181
LEU A1092
VAL A1094
 PO4  A1603 (-3.8A)
None
None
None
None
 1.23A 4ib4A-1p0cA:
undetectable		 4ib4A-1p0cA:
22.83
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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 LEU A 103
VAL A 199
VAL A  69
PHE A 339
LEU A 332
 KCX  A 162 ( 4.2A)
KCX  A 162 ( 4.7A)
None
None
None
 1.27A 4ib4A-1pojA:
undetectable		 4ib4A-1pojA:
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.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		5 VAL A  79
ALA A  85
PHE A 117
VAL A  21
VAL A 155
 None
 1.11A 4ib4A-1qydA:
undetectable		 4ib4A-1qydA:
23.54
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.
1vkm CONSERVED
HYPOTHETICAL PROTEIN
TM1464

(Thermotoga
maritima) 		PF04227
(Indigoidine_A) 		5 LEU A 141
PHE A 174
PHE A 156
LEU A 150
VAL A 120
 None
 1.21A 4ib4A-1vkmA:
undetectable		 4ib4A-1vkmA:
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		5 LEU A 371
VAL A 410
ALA A 402
PHE A   5
LEU A 392
 None
 1.19A 4ib4A-1wcgA:
undetectable		 4ib4A-1wcgA:
23.53
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.
1yg2 GENE ACTIVATOR APHA

(Vibrio cholerae) 		PF03551
(PadR)
PF10400
(Vir_act_alpha_C) 		5 LEU A   3
VAL A  40
MET A  47
ALA A  78
VAL A  10
 None
 1.19A 4ib4A-1yg2A:
4.8		 4ib4A-1yg2A:
17.27
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.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 LEU A 184
SER A  34
VAL A 152
ALA A  32
VAL A  20
 None
 1.29A 4ib4A-1yq2A:
undetectable		 4ib4A-1yq2A:
15.86
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.
2fcj SMALL TOPRIM DOMAIN
PROTEIN

(Geobacillus
stearothermophilus) 		PF01751
(Toprim) 		5 LEU A  66
VAL A  10
LEU A 101
VAL A 100
VAL A  53
 None
 1.13A 4ib4A-2fcjA:
undetectable		 4ib4A-2fcjA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 VAL A 168
SER A 170
LEU A 532
VAL A 531
VAL A 147
 None
 1.26A 4ib4A-2gaiA:
2.8		 4ib4A-2gaiA:
21.73
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.
2ij9 URIDYLATE KINASE

(Archaeoglobus
fulgidus) 		PF00696
(AA_kinase) 		5 VAL A   3
VAL A 106
ALA A 208
LEU A  12
VAL A  11
 None
 1.25A 4ib4A-2ij9A:
undetectable		 4ib4A-2ij9A:
19.81
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.
2o6s VARIABLE LYMPHOCYTE
RECEPTOR B

(Eptatretus
burgeri) 		PF11921
(DUF3439)
PF12799
(LRR_4)
PF13855
(LRR_8) 		6 LEU A  63
VAL A  45
ALA A 129
PHE A  95
LEU A  77
VAL A  94
 None
 1.50A 4ib4A-2o6sA:
undetectable		 4ib4A-2o6sA:
18.10
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.
2pbi GUANINE
NUCLEOTIDE-BINDING
PROTEIN SUBUNIT BETA
5
REGULATOR OF
G-PROTEIN SIGNALING
9

(Mus musculus) 		PF00400
(WD40)
PF00610
(DEP)
PF00615
(RGS)
PF00631
(G-gamma) 		5 VAL A 200
PHE B 284
PHE A  16
LEU A  23
VAL A  24
 None
 1.21A 4ib4A-2pbiA:
2.5		 4ib4A-2pbiA:
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.
2pun METHYLTHIORIBOSE
KINASE

(Bacillus
subtilis) 		PF01636
(APH) 		5 ALA A 155
TRP A 304
PHE A 300
PHE A 149
LEU A 144
 None
 1.28A 4ib4A-2punA:
undetectable		 4ib4A-2punA:
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.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 LEU A 274
VAL A 277
ALA A 606
PHE A 379
VAL A 128
 None
 1.22A 4ib4A-2vobA:
undetectable		 4ib4A-2vobA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w58 PRIMOSOME COMPONENT
(HELICASE LOADER)

(Geobacillus
kaustophilus) 		PF01695
(IstB_IS21) 		5 LEU A 257
SER A 191
ALA A 182
LEU A 200
VAL A 197
 None
 1.27A 4ib4A-2w58A:
undetectable		 4ib4A-2w58A:
17.73
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.
2x30 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
coelicolor) 		PF00977
(His_biosynth) 		5 VAL A 221
VAL A 165
ALA A 235
LEU A 211
VAL A 212
 SO4  A1242 ( 4.8A)
None
None
None
None
 1.09A 4ib4A-2x30A:
undetectable		 4ib4A-2x30A:
22.35
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.
2x77 ADP-RIBOSYLATION
FACTOR

(Leishmania
major) 		PF00025
(Arf) 		5 LEU A  37
SER A 163
MET A 173
PHE A 127
VAL A  94
 None
GDP  A 188 (-4.2A)
None
None
None
 1.21A 4ib4A-2x77A:
undetectable		 4ib4A-2x77A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		6 VAL A 470
SER A 468
ALA A 171
LEU A 186
VAL A 185
VAL A 494
 None
 1.46A 4ib4A-2xf2A:
undetectable		 4ib4A-2xf2A:
20.17
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.
2yev CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus) 		PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 TRP B  41
PHE B  44
PHE B  45
LEU B  51
VAL B  52
 None
 0.86A 4ib4A-2yevB:
3.1		 4ib4A-2yevB:
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		5 VAL A 300
ALA A 357
PHE A 365
LEU A 390
VAL A 318
 None
 1.25A 4ib4A-2z5lA:
undetectable		 4ib4A-2z5lA:
21.09
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.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 VAL A 177
VAL A 136
ALA A 231
PHE A 283
LEU A 287
 None
 1.17A 4ib4A-3a31A:
undetectable		 4ib4A-3a31A:
20.78
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 VAL A  38
VAL A 136
PHE A  33
VAL A 192
VAL A  15
 None
 1.28A 4ib4A-3b4tA:
undetectable		 4ib4A-3b4tA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bma D-ALANYL-LIPOTEICHOI
C ACID SYNTHETASE

(Streptococcus
pneumoniae) 		PF04914
(DltD) 		5 LEU A  64
VAL A  72
PHE A 313
VAL A 133
VAL A 318
 None
 1.20A 4ib4A-3bmaA:
undetectable		 4ib4A-3bmaA:
22.31
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.
3cai POSSIBLE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		5 LEU A 160
VAL A 191
PHE A 230
VAL A 242
VAL A 235
 None
 1.24A 4ib4A-3caiA:
undetectable		 4ib4A-3caiA:
22.29
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 LEU A 459
VAL A 440
ALA A 443
LEU A 546
VAL A 545
 None
 1.26A 4ib4A-3cihA:
2.3		 4ib4A-3cihA:
21.15
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.
3d0q PROTEIN CALG3

(Micromonospora
echinospora) 		PF06722
(DUF1205) 		5 VAL A 130
VAL A 371
ALA A 124
LEU A  18
VAL A 168
 None
 1.28A 4ib4A-3d0qA:
undetectable		 4ib4A-3d0qA:
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.
3d5o SERUM AMYLOID
P-COMPONENT

(Homo sapiens) 		PF00354
(Pentaxin) 		5 LEU A   4
ALA A  39
PHE A  11
PHE A 150
VAL A 196
 None
 1.13A 4ib4A-3d5oA:
undetectable		 4ib4A-3d5oA:
19.19
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.
3d5o SERUM AMYLOID
P-COMPONENT

(Homo sapiens) 		PF00354
(Pentaxin) 		5 LEU A 188
ALA A  39
PHE A  11
PHE A 150
VAL A 196
 None
 1.22A 4ib4A-3d5oA:
undetectable		 4ib4A-3d5oA:
19.19
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.
3htz ALANYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF01411
(tRNA-synt_2c) 		5 LEU A 125
VAL A 127
SER A 128
ALA A 136
PHE A 197
 None
 1.24A 4ib4A-3htzA:
2.6		 4ib4A-3htzA:
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.
3kij PROBABLE GLUTATHIONE
PEROXIDASE 8

(Homo sapiens) 		PF00255
(GSHPx) 		5 VAL A 122
ALA A  55
LEU A  71
VAL A  72
VAL A 132
 None
 1.16A 4ib4A-3kijA:
undetectable		 4ib4A-3kijA:
15.55
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.
3nnm CURA

(Lyngbya
majuscula) 		PF05721
(PhyH) 		5 LEU A 102
ALA A 219
PHE A  79
PHE A  25
VAL A  76
 None
 1.23A 4ib4A-3nnmA:
undetectable		 4ib4A-3nnmA:
22.08
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.
3orf DIHYDROPTERIDINE
REDUCTASE

(Dictyostelium
discoideum) 		PF00106
(adh_short) 		5 LEU A 169
VAL A 217
ALA A  75
LEU A 119
VAL A 196
 None
None
NAD  A 901 (-3.4A)
None
None
 1.29A 4ib4A-3orfA:
undetectable		 4ib4A-3orfA:
19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A 114
TRP A 286
PHE A 289
PHE A 290
VAL A 297
 ERC  A1201 (-3.8A)
None
ERC  A1201 (-4.5A)
ERC  A1201 (-4.8A)
None
 0.83A 4ib4A-3pdsA:
27.3		 4ib4A-3pdsA:
30.16
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.
3q80 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01128
(IspD) 		5 VAL A  42
VAL A 105
LEU A  94
VAL A  93
VAL A  51
 None
 1.11A 4ib4A-3q80A:
undetectable		 4ib4A-3q80A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qlj SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		5 VAL A  33
VAL A   3
ALA A  14
LEU A 234
VAL A  96
 None
 1.23A 4ib4A-3qljA:
undetectable		 4ib4A-3qljA:
19.14
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.
3rjz N-TYPE ATP
PYROPHOSPHATASE
SUPERFAMILY

(Pyrococcus
furiosus) 		PF01902
(Diphthami_syn_2) 		5 LEU A 117
VAL A   7
VAL A 111
ALA A  24
VAL A  35
 None
 1.26A 4ib4A-3rjzA:
undetectable		 4ib4A-3rjzA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6o SULFATE
TRANSPORTER/ANTISIGM
A-FACTOR ANTAGONIST
STAS

(Planctopirus
limnophila) 		no annotation 5 ALA A  33
PHE A  17
LEU A  49
VAL A  48
VAL A  55
 None
 1.22A 4ib4A-3t6oA:
undetectable		 4ib4A-3t6oA:
13.26
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.
3u9s METHYLCROTONYL-COA
CARBOXYLASE,
ALPHA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 340
ALA A 310
LEU A 370
VAL A 375
VAL A 362
 None
 0.94A 4ib4A-3u9sA:
undetectable		 4ib4A-3u9sA:
19.91
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.
3zbm COPPER-CONTAINING
NITRITE REDUCTASE

(Ralstonia
pickettii) 		PF07732
(Cu-oxidase_3)
PF13442
(Cytochrome_CBB3) 		5 LEU A 400
VAL A 452
PHE A 387
LEU A 437
VAL A 436
 None
None
HEM  A1462 (-4.2A)
None
None
 1.29A 4ib4A-3zbmA:
undetectable		 4ib4A-3zbmA:
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 LEU A 190
VAL A 186
MET A 165
ALA A 262
LEU A 252
 None
 1.20A 4ib4A-3zphA:
undetectable		 4ib4A-3zphA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 5 SER A 347
VAL A  43
ALA A  22
PHE A 296
LEU A 413
 None
 1.23A 4ib4A-4b2nA:
undetectable		 4ib4A-4b2nA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 5 VAL A  30
VAL A  43
ALA A  22
PHE A 296
LEU A 413
 None
 1.13A 4ib4A-4b2nA:
undetectable		 4ib4A-4b2nA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b6g PUTATIVE ESTERASE

(Neisseria
meningitidis) 		PF00756
(Esterase) 		5 MET A   1
ALA A  21
PHE A  30
LEU A   3
VAL A  77
 None
 1.27A 4ib4A-4b6gA:
undetectable		 4ib4A-4b6gA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4blp PACKAGING ENZYME P4

(Pseudomonas
phage phi13) 		PF11602
(NTPase_P4) 		5 VAL A 282
VAL A 277
ALA A 157
LEU A 218
VAL A 219
 None
None
FLC  A1304 ( 4.0A)
None
None
 1.25A 4ib4A-4blpA:
undetectable		 4ib4A-4blpA:
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.
4c76 FMN REDUCTASE
(NADPH)

(Pseudomonas
putida) 		PF03358
(FMN_red) 		5 VAL A  10
PHE A 178
PHE A 177
LEU A 171
VAL A 170
 None
 1.19A 4ib4A-4c76A:
undetectable		 4ib4A-4c76A:
18.88
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.
4crn ERF1 IN
RIBOSOME-BOUND
ERF1-ERF3-GDPNP
COMPLEX

(Saccharomyces
cerevisiae) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 VAL X 199
VAL X 147
LEU X 221
VAL X 247
VAL X 205
 None
 1.17A 4ib4A-4crnX:
undetectable		 4ib4A-4crnX:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d1d HYDANTOIN TRANSPORT
PROTEIN

(Microbacterium
liquefaciens) 		PF02133
(Transp_cyt_pur) 		5 MET A 182
ALA A 286
TRP A 281
PHE A  46
VAL A  43
 None
 1.11A 4ib4A-4d1dA:
1.6		 4ib4A-4d1dA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dib GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 VAL A 322
VAL A 145
ALA A  20
PHE A  26
VAL A 329
 None
 1.22A 4ib4A-4dibA:
undetectable		 4ib4A-4dibA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e0t CYCLIC DIPEPTIDE
N-PRENYLTRANSFERASE

(Aspergillus
fumigatus) 		PF11991
(Trp_DMAT) 		5 PHE A 154
PHE A 155
LEU A 161
VAL A 162
VAL A  93
 None
 1.27A 4ib4A-4e0tA:
undetectable		 4ib4A-4e0tA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 VAL A 114
TRP A 258
PHE A 261
PHE A 262
VAL A 269
 CAU  A 500 (-3.5A)
None
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
None
 0.65A 4ib4A-4gbrA:
27.3		 4ib4A-4gbrA:
29.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 VAL A   7
ALA A  19
PHE A  91
LEU A 119
VAL A 120
 None
 1.22A 4ib4A-4heqA:
undetectable		 4ib4A-4heqA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A1114
TRP A1286
PHE A1289
PHE A1290
VAL A1297
 P0G  A1401 (-3.7A)
None
P0G  A1401 ( 4.7A)
P0G  A1401 ( 4.9A)
None
 0.35A 4ib4A-4ldeA:
28.4		 4ib4A-4ldeA:
27.13
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.
4lvo SUBTILISIN-LIKE
SERINE PROTEASE

(Plasmodium
falciparum) 		PF00082
(Peptidase_S8)
no annotation 		5 VAL A 504
ALA A 413
PHE A 415
LEU A 469
VAL P 214
 None
 1.26A 4ib4A-4lvoA:
undetectable		 4ib4A-4lvoA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p22 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Homo sapiens) 		PF00899
(ThiF)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 VAL A 163
VAL A  85
ALA A 412
LEU A  93
VAL A  99
 None
 1.08A 4ib4A-4p22A:
undetectable		 4ib4A-4p22A:
22.63
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.
4p7l POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF14883
(GHL13) 		5 LEU A 650
VAL A 324
ALA A 610
LEU A 353
VAL A 351
 None
 1.22A 4ib4A-4p7lA:
undetectable		 4ib4A-4p7lA:
22.27
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.
4pdh TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 MET A 250
ALA A 151
PHE A  57
VAL A  89
VAL A  61
 None
 1.29A 4ib4A-4pdhA:
undetectable		 4ib4A-4pdhA:
23.78
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.
4pdh TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 VAL A 108
ALA A 188
PHE A 323
PHE A 319
LEU A 114
 None
 1.28A 4ib4A-4pdhA:
undetectable		 4ib4A-4pdhA:
23.78
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.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		5 VAL A 225
VAL A 183
LEU A 179
VAL A 159
VAL A 228
 None
 1.09A 4ib4A-4ruwA:
undetectable		 4ib4A-4ruwA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4urq DIGUANYLATE CYCLASE

(Thermotoga
maritima) 		PF00990
(GGDEF) 		5 LEU U 175
VAL U 122
VAL U 157
LEU U  96
VAL U 125
 None
 1.25A 4ib4A-4urqU:
undetectable		 4ib4A-4urqU:
14.98
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.
4wk7 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 4

(Homo sapiens) 		PF01421
(Reprolysin) 		5 MET A 246
ALA A 252
PHE A 253
VAL A 266
VAL A 366
 None
 1.26A 4ib4A-4wk7A:
undetectable		 4ib4A-4wk7A:
17.82
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.
4xk8 CHLOROPHYLL A-B
BINDING PROTEIN P4,
CHLOROPLASTIC

(Pisum sativum) 		PF00504
(Chloroa_b-bind) 		5 LEU 4 177
VAL 4 166
SER 4 165
LEU 4  96
VAL 4  97
 CHL  4 615 ( 4.4A)
None
None
None
CLA  4 608 (-4.4A)
 1.28A 4ib4A-4xk84:
undetectable		 4ib4A-4xk84:
19.90
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.
5a5c LRRTM

(synthetic
construct) 		PF13855
(LRR_8) 		5 LEU A  42
VAL A  24
PHE A  74
LEU A  56
VAL A  73
 None
 1.21A 4ib4A-5a5cA:
undetectable		 4ib4A-5a5cA:
20.18
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 LEU A 714
SER A 723
PHE A 630
LEU A 704
VAL A 626
 None
 1.27A 4ib4A-5ah5A:
3.9		 4ib4A-5ah5A:
21.15
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.
5b4s CHITOSANASE

(Mitsuaria
chitosanitabida) 		PF13647
(Glyco_hydro_80) 		5 SER A 168
ALA A 157
PHE A  74
LEU A 147
VAL A  79
 None
 1.20A 4ib4A-5b4sA:
undetectable		 4ib4A-5b4sA:
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 SER A 454
VAL A 107
ALA A 460
PHE A  81
LEU A 100
 None
 1.15A 4ib4A-5bp1A:
undetectable		 4ib4A-5bp1A:
18.97
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.
5buk FADH2-DEPENDENT
HALOGENASE

(Streptomyces
sp. CNQ-418) 		PF04820
(Trp_halogenase) 		5 SER A  17
VAL A  48
ALA A 177
VAL A 366
VAL A  54
 None
 1.22A 4ib4A-5bukA:
undetectable		 4ib4A-5bukA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 LEU A 519
ALA A 633
TRP A 586
VAL A 512
VAL A 628
 None
 1.21A 4ib4A-5by3A:
2.7		 4ib4A-5by3A:
19.29
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.
5cml OSMC FAMILY PROTEIN

(Rhodothermus
marinus) 		PF12146
(Hydrolase_4) 		5 LEU A 244
VAL A 240
ALA A 227
PHE A  38
VAL A  47
 None
 1.09A 4ib4A-5cmlA:
undetectable		 4ib4A-5cmlA:
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.
5cxf ENVELOPE
GLYCOPROTEIN B

(Human
betaherpesvirus
5) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		5 VAL A 274
ALA A 257
PHE A 138
LEU A 321
VAL A 322
 None
 1.16A 4ib4A-5cxfA:
undetectable		 4ib4A-5cxfA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 5 VAL B 122
TRP B 303
PHE B 306
PHE B 307
VAL B 314
 P32  B 400 (-3.5A)
None
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
None
 0.60A 4ib4A-5f8uB:
28.1		 4ib4A-5f8uB:
29.47
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.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 5 VAL B 122
VAL B 202
TRP B 303
PHE B 306
PHE B 307
 P32  B 400 (-3.5A)
None
None
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
 1.06A 4ib4A-5f8uB:
28.1		 4ib4A-5f8uB:
29.47
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.
5fxe EUGENOL OXIDASE

(Rhodococcus
jostii) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 VAL A 287
SER A 288
TRP A 384
LEU A 277
VAL A 276
 None
 1.03A 4ib4A-5fxeA:
undetectable		 4ib4A-5fxeA:
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.
5h36 UNCHARACTERIZED
PROTEIN TRIC

(Rhodobacter
sphaeroides) 		no annotation 5 LEU E 192
SER E 101
ALA E 129
PHE E  17
VAL E  24
 None
 1.21A 4ib4A-5h36E:
undetectable		 4ib4A-5h36E:
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 LEU A1541
SER A1667
PHE A1641
LEU A1674
VAL A1773
 None
 1.25A 4ib4A-5i6hA:
undetectable		 4ib4A-5i6hA:
14.14
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.
5iwb PLS3-PPR

(unidentified) 		PF13041
(PPR_2) 		5 VAL B  83
VAL B  53
PHE B  78
VAL B  12
VAL B  73
 None
 1.24A 4ib4A-5iwbB:
2.6		 4ib4A-5iwbB:
15.71
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.
5knn ALANINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF01411
(tRNA-synt_2c) 		5 LEU A 349
VAL A 353
SER A 356
PHE A 263
VAL A  88
 None
 1.23A 4ib4A-5knnA:
undetectable		 4ib4A-5knnA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 LEU A 122
VAL A 118
PHE A 197
VAL A 109
VAL A 182
 None
 1.28A 4ib4A-5lu4A:
undetectable		 4ib4A-5lu4A:
20.19
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.
5mjv CAPSID SUBUNIT VP1
CAPSID SUBUNIT VP3

(Parechovirus A) 		no annotation 5 ALA B 240
PHE B 128
PHE B 242
VAL A  68
VAL B 127
 None
 1.15A 4ib4A-5mjvB:
undetectable		 4ib4A-5mjvB:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nv6 TRANSFORMING GROWTH
FACTOR-BETA-INDUCED
PROTEIN IG-H3

(Homo sapiens) 		PF02469
(Fasciclin) 		5 LEU A 106
VAL A 228
LEU A 217
VAL A 212
VAL A 113
 None
 1.03A 4ib4A-5nv6A:
undetectable		 4ib4A-5nv6A:
20.43
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.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		5 LEU A  65
MET A  46
TRP A 185
PHE A 281
VAL A  50
 None
 1.23A 4ib4A-5swnA:
undetectable		 4ib4A-5swnA:
22.54
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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		5 LEU A 347
VAL A 367
PHE A 383
PHE A 382
VAL A 390
 None
 1.10A 4ib4A-5uc7A:
undetectable		 4ib4A-5uc7A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 VAL A 127
VAL A  50
ALA A 372
LEU A  58
VAL A  64
 None
 1.08A 4ib4A-5um6A:
undetectable		 4ib4A-5um6A:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bf6 INSULIN-DEGRADING
ENZYME

(Homo sapiens) 		no annotation 5 VAL A  92
VAL A  75
PHE A 169
LEU A 162
VAL A 278
 None
 1.18A 4ib4A-6bf6A:
undetectable		 4ib4A-6bf6A:
13.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 6 SER A 138
ALA A 222
TRP A 324
PHE A 327
VAL A 335
VAL A 354
 E2J  A1201 (-3.2A)
E2J  A1201 ( 3.8A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
None
E2J  A1201 (-4.6A)
 0.94A 4ib4A-6bqhA:
31.9		 4ib4A-6bqhA:
62.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 6 SER A 138
TRP A 324
PHE A 327
PHE A 328
VAL A 335
VAL A 354
 E2J  A1201 (-3.2A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
None
E2J  A1201 (-4.6A)
 0.67A 4ib4A-6bqhA:
31.9		 4ib4A-6bqhA:
62.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 5 SER A 138
VAL A 208
ALA A 222
VAL A 335
VAL A 354
 E2J  A1201 (-3.2A)
None
E2J  A1201 ( 3.8A)
None
E2J  A1201 (-4.6A)
 1.18A 4ib4A-6bqhA:
31.9		 4ib4A-6bqhA:
62.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 6 VAL A 135
SER A 138
ALA A 222
TRP A 324
PHE A 327
VAL A 354
 E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
E2J  A1201 ( 3.8A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.6A)
 0.90A 4ib4A-6bqhA:
31.9		 4ib4A-6bqhA:
62.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 6 VAL A 135
SER A 138
TRP A 324
PHE A 327
PHE A 328
VAL A 354
 E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
E2J  A1201 (-4.6A)
 0.71A 4ib4A-6bqhA:
31.9		 4ib4A-6bqhA:
62.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A 135
SER A 138
VAL A 208
ALA A 222
VAL A 354
 E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
None
E2J  A1201 ( 3.8A)
E2J  A1201 (-4.6A)
 0.97A 4ib4A-6bqhA:
31.9		 4ib4A-6bqhA:
62.32
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.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 5 LEU S 126
ALA S 216
TRP S 327
PHE S 330
PHE S 331
 None
EP5  S 401 ( 4.0A)
None
EP5  S 401 (-4.0A)
EP5  S 401 (-4.7A)
 0.50A 4ib4A-6g79S:
28.1		 4ib4A-6g79S:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		4 LEU A 120
LYS A 118
GLN A 122
LEU A 134
 None
 1.10A 4ib4A-1bhwA:
undetectable		 4ib4A-1bhwA:
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.
1by2 MAC-2 BINDING
PROTEIN

(Homo sapiens) 		PF00530
(SRCR) 		4 ASP A  39
THR A  76
LEU A  70
LYS A  92
 None
 1.11A 4ib4A-1by2A:
undetectable		 4ib4A-1by2A:
13.91
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.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		4 ASP A 176
LEU A 154
GLN A 149
LEU A 148
 None
 1.10A 4ib4A-1eg3A:
undetectable		 4ib4A-1eg3A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		4 ASP A 176
THR A  55
GLN A 149
LEU A 148
 None
 0.95A 4ib4A-1eg3A:
undetectable		 4ib4A-1eg3A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fba FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Drosophila
melanogaster) 		PF00274
(Glycolytic) 		4 THR A 259
LEU A 151
ASN A 231
LEU A 270
 None
 1.01A 4ib4A-1fbaA:
undetectable		 4ib4A-1fbaA:
23.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fdj FRUCTOSE
1,6-BISPHOSPHATE
ALDOLASE

(Oryctolagus
cuniculus) 		PF00274
(Glycolytic) 		4 THR A1259
LEU A1151
ASN A1231
LEU A1270
 None
None
None
2FP  A5001 ( 3.9A)
 1.04A 4ib4A-1fdjA:
0.0		 4ib4A-1fdjA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1idm 3-ISOPROPYLMALATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		4 THR A 335
LEU A  68
LYS A   1
LEU A 296
 None
 0.96A 4ib4A-1idmA:
1.2		 4ib4A-1idmA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k4m NAMN
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF01467
(CTP_transf_like) 		4 THR A 155
LEU A   4
LYS A   2
GLN A  96
 None
 1.12A 4ib4A-1k4mA:
0.0		 4ib4A-1k4mA:
18.33
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.
1l9y FEZ-1 B-LACTAMASE

(Fluoribacter
gormanii) 		PF00753
(Lactamase_B) 		4 ASP A  86
LEU A 112
LYS A 110
LEU A  72
 None
 1.09A 4ib4A-1l9yA:
0.0		 4ib4A-1l9yA:
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.
1qd1 FORMIMINOTRANSFERASE
-CYCLODEAMINASE

(Sus scrofa) 		PF02971
(FTCD)
PF07837
(FTCD_N) 		4 THR A 236
LEU A 309
ASN A 188
LEU A 312
 None
 1.12A 4ib4A-1qd1A:
0.0		 4ib4A-1qd1A:
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.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 ASP B 285
LEU B 222
GLN B 290
LEU B 294
 None
 1.06A 4ib4A-1qh1B:
1.0		 4ib4A-1qh1B:
23.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rqj GERANYLTRANSTRANSFER
ASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ASP A 245
THR A 203
GLN A 265
LEU A 266
 None
IPE  A 900 ( 3.3A)
None
None
 1.10A 4ib4A-1rqjA:
2.9		 4ib4A-1rqjA:
23.35
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.
1snz ALDOSE 1-EPIMERASE

(Homo sapiens) 		PF01263
(Aldose_epim) 		4 THR A 335
LEU A  43
GLN A  23
LEU A  24
 None
 0.90A 4ib4A-1snzA:
undetectable		 4ib4A-1snzA:
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.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 THR A 332
LEU A 110
ASN A 123
LEU A 121
 None
 0.95A 4ib4A-1t1sA:
undetectable		 4ib4A-1t1sA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfb ALDOLASE C

(Homo sapiens) 		PF00274
(Glycolytic) 		4 THR A 260
LEU A 152
ASN A 232
LEU A 271
 None
 1.08A 4ib4A-1xfbA:
undetectable		 4ib4A-1xfbA:
22.86
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		4 ASP A 111
THR A 160
GLN A 561
LEU A  56
 None
PQQ  A 801 (-2.6A)
None
None
 1.09A 4ib4A-1yiqA:
undetectable		 4ib4A-1yiqA:
21.10
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.
2a22 VACUOLAR PROTEIN
SORTING 29

(Cryptosporidium
parvum) 		PF12850
(Metallophos_2) 		4 THR A  43
LEU A 167
GLN A 171
LEU A 170
 None
 0.85A 4ib4A-2a22A:
undetectable		 4ib4A-2a22A:
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 THR B 354
ASN B 250
GLN B 231
LEU B 234
 None
 0.85A 4ib4A-2amcB:
undetectable		 4ib4A-2amcB:
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.
2ayx SENSOR KINASE
PROTEIN RCSC

(Escherichia
coli) 		PF00072
(Response_reg)
PF09456
(RcsC) 		4 ASP A 859
LEU A 828
ASN A 867
LEU A 800
 None
 0.85A 4ib4A-2ayxA:
undetectable		 4ib4A-2ayxA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 ASP A 608
LEU A 335
GLN A 327
LEU A 322
 None
 1.08A 4ib4A-2ddhA:
2.6		 4ib4A-2ddhA:
21.18
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.
2dt8 DEGV FAMILY PROTEIN

(Thermus
thermophilus) 		PF02645
(DegV) 		4 ASP A  39
THR A  44
ASN A 258
LEU A 120
 None
 0.76A 4ib4A-2dt8A:
undetectable		 4ib4A-2dt8A:
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.
2f28 SIALIDASE 2

(Homo sapiens) 		PF13088
(BNR_2) 		4 ASP A 336
THR A 296
GLN A 166
LEU A 165
 None
 0.93A 4ib4A-2f28A:
undetectable		 4ib4A-2f28A:
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		4 THR A 187
LEU A 125
LYS A 119
ASN A 155
 None
 1.05A 4ib4A-2gu0A:
undetectable		 4ib4A-2gu0A:
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A 613
ASN A 598
GLN A 643
LEU A 642
 None
 1.11A 4ib4A-2jgdA:
undetectable		 4ib4A-2jgdA:
19.98
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		4 THR A 438
LEU A 720
GLN A 503
LEU A 499
 None
 0.95A 4ib4A-2pggA:
3.0		 4ib4A-2pggA:
22.01
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		4 THR A 565
LEU A 637
LYS A 639
LEU A 148
 None
 1.12A 4ib4A-2pggA:
3.0		 4ib4A-2pggA:
22.01
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.
2q0f RNA URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		4 THR A 239
ASN A 158
GLN A 206
LEU A 205
 None
 1.13A 4ib4A-2q0fA:
undetectable		 4ib4A-2q0fA:
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.
2v0p TYPE 2A
PHOSPHATASE-ASSOCIAT
ED PROTEIN 42

(Saccharomyces
cerevisiae) 		PF04177
(TAP42) 		4 THR A 215
LEU A  42
LYS A  40
LEU A  35
 None
 1.05A 4ib4A-2v0pA:
3.7		 4ib4A-2v0pA:
22.56
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.
2w8i PUTATIVE OUTER
MEMBRANE LIPOPROTEIN
WZA

(Escherichia
coli) 		PF02563
(Poly_export)
PF10531
(SLBB) 		4 ASP A 245
LEU A 192
ASN A 238
LEU A  76
 None
 0.93A 4ib4A-2w8iA:
undetectable		 4ib4A-2w8iA:
23.57
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.
2wji FERROUS IRON
TRANSPORT PROTEIN B
HOMOLOG

(Methanocaldococcus
jannaschii) 		PF02421
(FeoB_N) 		4 LEU A  98
ASN A  87
GLN A 103
LEU A 104
 None
 1.10A 4ib4A-2wjiA:
undetectable		 4ib4A-2wjiA:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzm ALDO-KETO REDUCTASE

(Mycolicibacterium
smegmatis) 		PF00248
(Aldo_ket_red) 		4 THR A 271
LEU A 224
GLN A 230
LEU A 231
 None
 1.13A 4ib4A-2wzmA:
undetectable		 4ib4A-2wzmA:
22.83
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.
2x3l ORN/LYS/ARG
DECARBOXYLASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF01276
(OKR_DC_1)
PF03711
(OKR_DC_1_C) 		4 ASP A 337
THR A  30
LEU A 268
GLN A 191
 None
 1.10A 4ib4A-2x3lA:
undetectable		 4ib4A-2x3lA:
22.65
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.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 THR A 307
LEU A 103
ASN A 116
LEU A 114
 None
None
NDP  A3001 (-4.0A)
None
 1.07A 4ib4A-3a14A:
undetectable		 4ib4A-3a14A:
23.19
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.
3brn LIPOCALIN

(Argas
monolakensis) 		PF02098
(His_binding) 		4 THR A  85
LEU A  50
ASN A  78
GLN A  14
 None
 0.88A 4ib4A-3brnA:
undetectable		 4ib4A-3brnA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bv4 FRUCTOSE-BISPHOSPHAT
E ALDOLASE A

(Oryctolagus
cuniculus) 		PF00274
(Glycolytic) 		4 THR A 259
LEU A 151
ASN A 231
LEU A 270
 None
None
None
13P  A3371 (-3.8A)
 1.08A 4ib4A-3bv4A:
undetectable		 4ib4A-3bv4A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c4a PROBABLE TRYPTOPHAN
HYDROXYLASE VIOD

(Chromobacterium
violaceum) 		no annotation 4 ASP A 196
LEU A 171
GLN A 174
LEU A  72
 None
 1.10A 4ib4A-3c4aA:
undetectable		 4ib4A-3c4aA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqc NUCLEAR PORE COMPLEX
PROTEIN NUP133

(Homo sapiens) 		no annotation 4 ASP B1124
LEU B1071
GLN B1079
LEU B1078
 None
 0.91A 4ib4A-3cqcB:
4.3		 4ib4A-3cqcB:
20.28
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.
3drz BTB/POZ
DOMAIN-CONTAINING
PROTEIN KCTD5

(Homo sapiens) 		PF02214
(BTB_2) 		4 ASP A  95
THR A  53
LEU A 117
LYS A 115
 None
 1.12A 4ib4A-3drzA:
undetectable		 4ib4A-3drzA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ASP A 534
THR A  47
ASN A 195
LEU A 271
 None
 1.13A 4ib4A-3gdeA:
undetectable		 4ib4A-3gdeA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3grp 3-OXOACYL-(ACYL
CARRIERPROTEIN)
REDUCTASE

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		4 LEU A 166
LYS A 164
ASN A 136
LEU A 159
 None
 0.96A 4ib4A-3grpA:
undetectable		 4ib4A-3grpA:
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.
3gwy PUTATIVE CTP
PYROPHOSPHOHYDROLASE

(Bacteroides
fragilis) 		PF00293
(NUDIX) 		4 LEU A  87
LYS A  68
GLN A  48
LEU A  51
 None
 1.05A 4ib4A-3gwyA:
undetectable		 4ib4A-3gwyA:
13.02
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.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 THR A 224
LEU A 236
GLN A 244
LEU A 241
 None
 1.01A 4ib4A-3h6tA:
undetectable		 4ib4A-3h6tA:
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.
3i4r NUCLEAR PORE COMPLEX
PROTEIN NUP133

(Homo sapiens) 		PF03177
(Nucleoporin_C) 		4 ASP B1124
LEU B1071
GLN B1079
LEU B1078
 None
 0.90A 4ib4A-3i4rB:
undetectable		 4ib4A-3i4rB:
20.43
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.
3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Yersinia
pseudotuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 THR A 333
LEU A 111
ASN A 124
LEU A 122
 None
 0.97A 4ib4A-3iieA:
undetectable		 4ib4A-3iieA:
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.
3k5p D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Brucella
abortus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A  43
LYS A  45
GLN A  65
LEU A  66
 None
 0.96A 4ib4A-3k5pA:
undetectable		 4ib4A-3k5pA:
23.17
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.
3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Babesia bovis) 		PF00274
(Glycolytic) 		4 THR A 258
LEU A 148
ASN A 230
LEU A 269
 None
None
None
CIT  A 400 (-4.0A)
 1.06A 4ib4A-3kx6A:
undetectable		 4ib4A-3kx6A:
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		4 ASP A  32
THR A 340
GLN A 303
LEU A 302
 GOL  A 400 ( 4.4A)
None
None
None
 1.13A 4ib4A-3m8yA:
undetectable		 4ib4A-3m8yA:
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.
3mv3 COATOMER SUBUNIT
EPSILON

(Saccharomyces
cerevisiae) 		PF04733
(Coatomer_E) 		4 THR B 258
LEU B 224
GLN B 200
LEU B 204
 None
 1.04A 4ib4A-3mv3B:
undetectable		 4ib4A-3mv3B:
23.41
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.
3n5f N-CARBAMOYL-L-AMINO
ACID HYDROLASE

(Geobacillus
stearothermophilus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 283
LYS A 216
GLN A 264
LEU A 265
 None
 0.90A 4ib4A-3n5fA:
2.0		 4ib4A-3n5fA:
23.70
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.
3onq REGULATOR OF
POLYKETIDE SYNTHASE
EXPRESSION

(Bifidobacterium
adolescentis) 		PF13556
(HTH_30) 		4 THR A 107
LEU A 137
GLN A 145
LEU A 144
 None
None
GOL  A 264 (-2.8A)
None
 1.01A 4ib4A-3onqA:
undetectable		 4ib4A-3onqA:
22.48
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.
3pgz SINGLE-STRANDED
DNA-BINDING PROTEIN

(Bartonella
henselae) 		PF00436
(SSB) 		4 THR A  36
LEU A  84
GLN A 105
LEU A 104
 None
 1.10A 4ib4A-3pgzA:
undetectable		 4ib4A-3pgzA:
17.47
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.
3qkx UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR HI_0893

(Haemophilus
influenzae) 		PF00440
(TetR_N) 		4 ASP A 161
THR A 154
LEU A 102
GLN A 107
 None
 1.02A 4ib4A-3qkxA:
undetectable		 4ib4A-3qkxA:
18.97
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.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		4 ASP A 286
LEU A 176
GLN A 239
LEU A 240
 3QZ  A 501 ( 4.7A)
None
None
None
 1.12A 4ib4A-3qz1A:
undetectable		 4ib4A-3qz1A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		4 LEU A 309
ASN A 241
GLN A 337
LEU A 338
 None
 0.91A 4ib4A-3u37A:
undetectable		 4ib4A-3u37A:
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		4 THR B  44
LEU B 187
GLN B 223
LEU B 224
 None
 0.87A 4ib4A-3u44B:
2.3		 4ib4A-3u44B:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 THR A4015
LYS A4082
GLN A4066
LEU A4033
 None
 1.03A 4ib4A-3vkgA:
undetectable		 4ib4A-3vkgA:
8.80
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.
4bax GLUTAMINE SYNTHETASE

(Streptomyces
coelicolor) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 ASP A 327
THR A  22
LEU A 202
LEU A  83
 None
 1.11A 4ib4A-4baxA:
undetectable		 4ib4A-4baxA:
20.22
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.
4cvm UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D- ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 THR A 115
LEU A 247
GLN A 272
LEU A 271
 ANP  A1456 (-3.6A)
None
None
None
 1.11A 4ib4A-4cvmA:
undetectable		 4ib4A-4cvmA:
23.30
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.
4d2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Toxoplasma
gondii) 		PF00274
(Glycolytic) 		4 THR A 331
LEU A 221
ASN A 303
LEU A 342
 None
 1.04A 4ib4A-4d2jA:
undetectable		 4ib4A-4d2jA:
21.81
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.
4fmz INTERNALIN

(Listeria
monocytogenes) 		PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8) 		4 ASP A 372
THR A 348
GLN A 331
LEU A 332
 None
 0.90A 4ib4A-4fmzA:
undetectable		 4ib4A-4fmzA:
23.70
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.
4g8x RNA POLYMERASE SIGMA
FACTOR RPOD

(Staphylococcus
aureus) 		PF04545
(Sigma70_r4) 		4 THR A 326
LEU A 351
LYS A 349
LEU A 304
 None
 0.98A 4ib4A-4g8xA:
undetectable		 4ib4A-4g8xA:
9.09
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.
4hfx TRANSCRIPTION
ELONGATION FACTOR B
POLYPEPTIDE 3

(Homo sapiens) 		PF06881
(Elongin_A) 		4 ASP A  38
LEU A  23
GLN A  68
LEU A  65
 None
 1.13A 4ib4A-4hfxA:
undetectable		 4ib4A-4hfxA:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0u 2-CYS PEROXIREDOXIN,
PUTATIVE

(Plasmodium
vivax) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 ASP A  58
LEU A 102
LYS A  79
ASN A  21
 None
 0.85A 4ib4A-4l0uA:
undetectable		 4ib4A-4l0uA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l63 ECXA

(Escherichia
coli) 		PF16313
(DUF4953) 		4 THR A 114
LEU A  75
LYS A  72
ASN A 143
 None
 1.09A 4ib4A-4l63A:
undetectable		 4ib4A-4l63A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4leo RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 THR C 280
LEU C 575
LYS C 578
ASN C 256
 None
 1.07A 4ib4A-4leoC:
undetectable		 4ib4A-4leoC:
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.
4p69 ISOCITRATE
DEHYDROGENASE
KINASE/PHOSPHATASE

(Escherichia
coli) 		PF06315
(AceK) 		4 ASP A 172
THR A 238
LEU A 153
LEU A 160
 None
 0.98A 4ib4A-4p69A:
undetectable		 4ib4A-4p69A:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q00 FERROUS IRON
TRANSPORT PROTEIN B

(Escherichia
coli) 		PF02421
(FeoB_N) 		4 LEU A 102
ASN A  91
GLN A 107
LEU A 108
 None
 1.09A 4ib4A-4q00A:
undetectable		 4ib4A-4q00A:
22.25
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.
4q58 PLECTIN

(Homo sapiens) 		PF00307
(CH) 		4 ASP A 237
THR A  47
LEU A 219
GLN A 221
 None
 0.97A 4ib4A-4q58A:
undetectable		 4ib4A-4q58A:
20.18
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.
4q6x PHOSPHOLIPASE D
STSICTOX-BETAIC1

(Sicarius
terrosus) 		no annotation 4 LEU A  67
LYS A  65
GLN A  72
LEU A  73
 None
 1.11A 4ib4A-4q6xA:
undetectable		 4ib4A-4q6xA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q85 RIBOSOMAL PROTEIN
S12
METHYLTHIOTRANSFERAS
E ACCESSORY FACTOR
YCAO

(Escherichia
coli) 		PF02624
(YcaO) 		4 THR A 485
LEU A 428
GLN A 433
LEU A 434
 None
 1.03A 4ib4A-4q85A:
undetectable		 4ib4A-4q85A:
21.70
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.
4qqr 3,5-EPIMERASE/4-REDU
CTASE

(Arabidopsis
thaliana) 		PF04321
(RmlD_sub_bind) 		4 THR A 113
LEU A  95
ASN A  66
LEU A 108
 None
 0.95A 4ib4A-4qqrA:
undetectable		 4ib4A-4qqrA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u9v N-ALPHA-ACETYLTRANSF
ERASE 40

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		4 LEU B 155
LYS B 153
GLN B 160
LEU B 161
 None
 1.12A 4ib4A-4u9vB:
undetectable		 4ib4A-4u9vB:
16.82
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.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		4 THR A 148
ASN A  37
GLN A  74
LEU A  75
 None
 1.05A 4ib4A-4w7hA:
undetectable		 4ib4A-4w7hA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkj D-LACTATE
DEHYDROGENASE

(Sporolactobacillus
inulinus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ASP A  84
LEU A  73
GLN A 327
LEU A 328
 None
 0.92A 4ib4A-4xkjA:
undetectable		 4ib4A-4xkjA:
23.28
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		4 ASP A 243
THR A 293
ASN A 410
LEU A 414
 None
 1.07A 4ib4A-4z43A:
undetectable		 4ib4A-4z43A:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aga DNA POLYMERASE THETA

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ASP A 665
THR A 662
LEU A 672
LEU A 694
 None
 0.99A 4ib4A-5agaA:
undetectable		 4ib4A-5agaA:
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.
5ck3 PUTATIVE SIGNAL
RECOGNITION PARTICLE
PROTEIN

(Chaetomium
thermophilum) 		PF09439
(SRPRB) 		4 ASP B 222
THR B 216
LEU B 302
GLN B 279
 None
 1.04A 4ib4A-5ck3B:
undetectable		 4ib4A-5ck3B:
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2

(Homo sapiens) 		no annotation 4 THR I 752
LEU I 667
GLN I 652
LEU I 653
 None
 0.98A 4ib4A-5furI:
undetectable		 4ib4A-5furI:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gp9 TRANSCRIPTIONAL
REGULATOR (TETR/ACRR
FAMILY)

(Bacillus
halodurans) 		PF00440
(TetR_N)
PF08359
(TetR_C_4) 		4 THR A 166
LEU A 124
LYS A 119
GLN A  60
 None
PLM  A 203 ( 4.7A)
None
None
 1.01A 4ib4A-5gp9A:
undetectable		 4ib4A-5gp9A:
18.89
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 4 THR A 550
LEU A 605
GLN A 499
LEU A 502
 None
 1.13A 4ib4A-5hdtA:
3.6		 4ib4A-5hdtA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j4o SPECTRIN ALPHA
CHAIN, ERYTHROCYTIC
1

(Homo sapiens) 		PF00435
(Spectrin) 		4 ASP A 142
LEU A 217
GLN A 225
LEU A 224
 None
 1.13A 4ib4A-5j4oA:
undetectable		 4ib4A-5j4oA:
19.15
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.
5kjo ENDOGLUCANASE V-LIKE
PROTEIN

(Phanerochaete
chrysosporium) 		no annotation 4 ASP A  85
LEU A 159
GLN A 152
LEU A 153
 EDO  A 203 ( 4.2A)
None
None
None
 1.12A 4ib4A-5kjoA:
undetectable		 4ib4A-5kjoA:
16.75
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 ASP A 100
LEU A 192
GLN A 248
LEU A 249
 None
NAG  A 601 (-4.9A)
None
None
 1.12A 4ib4A-5la7A:
undetectable		 4ib4A-5la7A:
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN6
26S PROTEASOME
REGULATORY SUBUNIT
RPN7
26S PROTEASOME
REGULATORY SUBUNIT
RPN8

(Saccharomyces
cerevisiae) 		PF01398
(JAB)
PF01399
(PCI)
PF10602
(RPN7)
PF13012
(MitMem_reg) 		4 ASP Q 424
ASN U 270
GLN R 415
LEU R 414
 None
 1.13A 4ib4A-5mpdQ:
undetectable		 4ib4A-5mpdQ:
21.89
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 ASP B 307
LEU B 526
GLN B 528
LEU B 500
 None
 0.94A 4ib4A-5mrwB:
2.6		 4ib4A-5mrwB:
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 10
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 19

(Schizosaccharomyces
pombe) 		PF08633
(Rox3)
PF08638
(Med14)
PF09748
(Med10) 		4 THR C  33
ASN B  98
GLN A  90
LEU A  87
 None
 0.75A 4ib4A-5n9jC:
undetectable		 4ib4A-5n9jC:
14.29
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 THR A1552
ASN A1643
GLN A1651
LEU A1650
 None
 1.11A 4ib4A-5nugA:
undetectable		 4ib4A-5nugA:
6.86
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.
5te4 HIV-1 CLADE G STRAIN
X2088 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 THR G 387
LEU G 288
GLN G 348
LEU G 349
 None
 1.06A 4ib4A-5te4G:
undetectable		 4ib4A-5te4G:
22.59
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.
5thz CURJ

(Moorea
producens) 		no annotation 4 THR B 164
LEU B 122
GLN B 117
LEU B  42
 None
 0.95A 4ib4A-5thzB:
undetectable		 4ib4A-5thzB:
21.24
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.
5vaz DNA PRIMASE

(Pseudomonas
aeruginosa) 		PF08275
(Toprim_N)
PF10410
(DnaB_bind)
PF13662
(Toprim_4) 		4 ASP A 312
LEU A 352
GLN A 279
LEU A 276
 None
 1.09A 4ib4A-5vazA:
undetectable		 4ib4A-5vazA:
21.56
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.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		4 THR A 736
LEU A 748
GLN A 756
LEU A 753
 None
 1.13A 4ib4A-5welA:
4.0		 4ib4A-5welA:
16.92
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.
5y7r IRON/ALPHA-KETOGLUTA
RATE-DEPENDENT
DIOXYGENASE ASQJ

(Aspergillus
nidulans) 		no annotation 4 ASP B 136
LEU B 238
ASN B  70
LEU B  79
 FE  B 401 (-2.6A)
None
58K  B 403 (-3.5A)
58K  B 403 (-4.6A)
 1.13A 4ib4A-5y7rB:
undetectable		 4ib4A-5y7rB:
11.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 4 ASP A 134
LEU A 209
ASN A 331
LEU A 350
 E2J  A1201 (-3.0A)
None
None
E2J  A1201 ( 4.3A)
 1.06A 4ib4A-6bqhA:
31.9		 4ib4A-6bqhA:
62.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 4 ASP A 134
THR A 139
LEU A 209
LEU A 350
 E2J  A1201 (-3.0A)
E2J  A1201 (-4.3A)
None
E2J  A1201 ( 4.3A)
 1.01A 4ib4A-6bqhA:
31.9		 4ib4A-6bqhA:
62.32
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM

(Saccharomyces
cerevisiae) 		no annotation 4 THR A 549
LEU A 586
GLN A 634
LEU A 637
 None
 1.10A 4ib4A-6c6lA:
undetectable		 4ib4A-6c6lA:
10.21
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.
6cfp UBIQUITIN-LIKE
PROTEIN
SMT3,POLYMERASE
ACIDIC PROTEIN

(Influenza A
virus;
Saccharomyces
cerevisiae) 		no annotation 4 THR A 639
LEU A 702
GLN A 654
LEU A 655
 None
 1.08A 4ib4A-6cfpA:
undetectable		 4ib4A-6cfpA:
9.22
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.
6dk2 -

(-) 		no annotation 4 THR A 106
LEU A 136
GLN A 164
LEU A 167
 None
 0.98A 4ib4A-6dk2A:
3.7		 4ib4A-6dk2A:
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.
6elq CARBON MONOXIDE
DEHYDROGENASE

(Carboxydothermus
hydrogenoformans) 		no annotation 4 ASP X 454
LEU X 481
ASN X 298
LEU X 308
 None
 1.08A 4ib4A-6elqX:
2.3		 4ib4A-6elqX:
10.25
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.
6ezn DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT OST2

(Saccharomyces
cerevisiae) 		no annotation 4 ASP B  48
LEU B  91
GLN B  97
LEU B  98
 None
 1.00A 4ib4A-6eznB:
4.0		 4ib4A-6eznB:
12.09