SIMILAR PATTERNS OF AMINO ACIDS FOR 4IB4_A_ERMA2001_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.
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