SIMILAR PATTERNS OF AMINO ACIDS FOR 3AOC_C_ERYC3402_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.
1a5l UREASE (ALPHA
SUBUNIT)


(Klebsiella
aerogenes)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
3 THR C 273
SER C 355
LYS C 406
None
1.00A 3aocC-1a5lC:
0.0
3aocC-1a5lC:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE


(Bacillus sp.
1011)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
3 THR A 516
SER A   7
LYS A 131
None
0.92A 3aocC-1dedA:
0.0
3aocC-1dedA:
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.
1dx8 RUBREDOXIN

(Guillardia
theta)
PF00301
(Rubredoxin)
3 THR A  32
SER A  38
LYS A  50
None
1.16A 3aocC-1dx8A:
undetectable
3aocC-1dx8A:
5.22
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.
1fhf SEED COAT PEROXIDASE

(Glycine max)
PF00141
(peroxidase)
3 THR A  10
SER A  96
LYS A  84
None
1.21A 3aocC-1fhfA:
undetectable
3aocC-1fhfA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ft5 CYTOCHROME C554

(Nitrosomonas
europaea)
PF13435
(Cytochrome_C554)
3 THR A  55
SER A  33
LYS A  43
None
HEM  A 216 ( 2.4A)
HEM  A 214 ( 4.8A)
1.18A 3aocC-1ft5A:
undetectable
3aocC-1ft5A:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g1t E-SELECTIN

(Homo sapiens)
PF00008
(EGF)
PF00059
(Lectin_C)
3 THR A   5
SER A  43
LYS A  96
None
1.17A 3aocC-1g1tA:
undetectable
3aocC-1g1tA:
8.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g38 MODIFICATION
METHYLASE TAQI


(Thermus
aquaticus)
PF07669
(Eco57I)
PF12950
(TaqI_C)
3 THR A 294
SER A 272
LYS A 276
None
1.07A 3aocC-1g38A:
0.0
3aocC-1g38A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hno D3,D2-ENOYL COA
ISOMERASE ECI1


(Saccharomyces
cerevisiae)
PF00378
(ECH_1)
3 THR A  57
SER A 112
LYS A 237
None
0.89A 3aocC-1hnoA:
0.0
3aocC-1hnoA:
13.81
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
3 THR A 514
SER A 543
LYS A 526
None
1.17A 3aocC-1kclA:
0.0
3aocC-1kclA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE


(Bacillus
circulans)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
3 THR A 516
SER A   7
LYS A 131
None
0.96A 3aocC-1kclA:
0.0
3aocC-1kclA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kv9 TYPE II
QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE


(Pseudomonas
putida)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3)
3 THR A 145
SER A 153
LYS A 100
None
PQQ  A 801 ( 4.8A)
None
1.10A 3aocC-1kv9A:
0.0
3aocC-1kv9A:
21.22
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.
1lv7 FTSH

(Escherichia
coli)
PF00004
(AAA)
3 THR A 277
SER A 220
LYS A 144
None
0.87A 3aocC-1lv7A:
undetectable
3aocC-1lv7A:
15.49
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.
1m9i ANNEXIN VI

(Homo sapiens)
PF00191
(Annexin)
3 THR A 577
SER A 542
LYS A 540
None
1.19A 3aocC-1m9iA:
0.0
3aocC-1m9iA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n4k INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1


(Mus musculus)
PF01365
(RYDR_ITPR)
PF02815
(MIR)
3 THR A 397
SER A 354
LYS A 417
None
0.97A 3aocC-1n4kA:
undetectable
3aocC-1n4kA:
17.35
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.
1ncb IGG2A-KAPPA NC41 FAB
(HEAVY CHAIN)


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 THR H 116
SER H 216
LYS H 218
None
0.87A 3aocC-1ncbH:
undetectable
3aocC-1ncbH:
12.93
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.
1nlr ENDO-1,4-BETA-GLUCAN
ASE


(Streptomyces
lividans)
PF01670
(Glyco_hydro_12)
3 THR A 183
SER A 162
LYS A 123
None
MHO  A 122 ( 3.5A)
MHO  A 122 ( 3.5A)
0.83A 3aocC-1nlrA:
undetectable
3aocC-1nlrA:
13.03
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.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN


(Thermus
thermophilus)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
3 THR A 186
SER A 212
LYS A 261
None
0.91A 3aocC-1oi7A:
undetectable
3aocC-1oi7A:
15.11
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.
1pzd COATOMER GAMMA
SUBUNIT


(Bos taurus)
PF08752
(COP-gamma_platf)
PF16381
(Coatomer_g_Cpla)
3 THR A 759
SER A 633
LYS A 631
None
1.16A 3aocC-1pzdA:
2.9
3aocC-1pzdA:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli)
PF00485
(PRK)
3 THR A1293
SER A1096
LYS A1101
None
None
ADP  A5001 (-2.8A)
1.21A 3aocC-1sq5A:
undetectable
3aocC-1sq5A:
14.11
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.
1wnb PUTATIVE BETAINE
ALDEHYDE
DEHYDROGENASE


(Escherichia
coli)
PF00171
(Aldedh)
3 THR A 228
SER A 174
LYS A 172
NAI  A1001 (-2.9A)
NAI  A1001 (-4.4A)
NAI  A1001 (-2.8A)
1.21A 3aocC-1wnbA:
undetectable
3aocC-1wnbA:
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)


(Thermus
thermophilus)
PF02347
(GDC-P)
3 THR B 210
SER B  73
LYS B 266
None
1.17A 3aocC-1wytB:
2.1
3aocC-1wytB:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xqs HSPBP1 PROTEIN

(Homo sapiens)
PF08609
(Fes1)
3 THR A 347
SER A 298
LYS A 265
None
0.70A 3aocC-1xqsA:
undetectable
3aocC-1xqsA:
14.27
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.
2ava ACYL CARRIER PROTEIN
I, CHLOROPLAST


(Spinacia
oleracea)
PF00550
(PP-binding)
3 THR A  66
SER A  10
LYS A  14
None
0.87A 3aocC-2avaA:
undetectable
3aocC-2avaA:
7.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2da0 130-KDA
PHOSPHATIDYLINOSITOL
4,5-BIPHOSPHATE-DEPE
NDENT ARF1
GTPASE-ACTIVATING
PROTEIN


(Homo sapiens)
PF00169
(PH)
3 THR A  45
SER A  20
LYS A  18
None
1.18A 3aocC-2da0A:
undetectable
3aocC-2da0A:
8.39
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE


(Rhodobacter
sphaeroides)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
3 THR A 244
SER A 248
LYS A 346
None
0.82A 3aocC-2dwsA:
undetectable
3aocC-2dwsA:
16.55
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.
2iye COPPER-TRANSPORTING
ATPASE


(Sulfolobus
solfataricus)
PF00702
(Hydrolase)
3 THR A 420
SER A 541
LYS A 569
None
SO4  A1636 ( 3.8A)
SO4  A1636 (-2.9A)
1.14A 3aocC-2iyeA:
undetectable
3aocC-2iyeA:
14.92
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans)
PF00026
(Asp)
3 THR A 166
SER A 334
LYS A 178
None
1.11A 3aocC-2qzxA:
undetectable
3aocC-2qzxA:
16.07
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.
2vws YFAU, 2-KETO-3-DEOXY
SUGAR ALDOLASE


(Escherichia
coli)
PF03328
(HpcH_HpaI)
3 THR A 112
SER A 145
LYS A  10
None
1.16A 3aocC-2vwsA:
undetectable
3aocC-2vwsA:
14.26
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.
2w40 GLYCEROL KINASE,
PUTATIVE


(Plasmodium
falciparum)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
3 THR A 130
SER A 137
LYS A 140
EDO  A1506 (-4.1A)
EDO  A1510 ( 4.5A)
None
1.15A 3aocC-2w40A:
undetectable
3aocC-2w40A:
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.
2wae PENICILLIN-BINDING
PROTEIN 2B


(Streptococcus
pneumoniae)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
3 THR A 392
SER A 386
LYS A 615
None
1.14A 3aocC-2waeA:
3.0
3aocC-2waeA:
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.
2yn0 TRANSCRIPTION FACTOR
TAU 55 KDA SUBUNIT


(Saccharomyces
cerevisiae)
PF00300
(His_Phos_1)
3 THR A 244
SER A 199
LYS A 173
None
1.11A 3aocC-2yn0A:
undetectable
3aocC-2yn0A:
14.00
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.
2yoc PULLULANASE

(Klebsiella
oxytoca)
PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372)
3 THR A 374
SER A 558
LYS A 436
None
1.08A 3aocC-2yocA:
undetectable
3aocC-2yocA:
24.41
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.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus)
PF03193
(RsgA_GTPase)
3 THR A  88
SER A 174
LYS A 228
None
GDP  A1001 ( 4.1A)
None
1.14A 3aocC-2yv5A:
undetectable
3aocC-2yv5A:
14.78
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.
2z4q ANTI EGFR ANTIBODY
FAB, HEAVY CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
3 THR B 121
SER B 208
LYS B 210
None
1.09A 3aocC-2z4qB:
undetectable
3aocC-2z4qB:
11.57
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.
3al0 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Thermotoga
maritima)
PF01425
(Amidase)
3 THR A 227
SER A 218
LYS A  97
None
1.02A 3aocC-3al0A:
undetectable
3aocC-3al0A:
18.31
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN


(Escherichia
coli)
PF06751
(EutB)
3 THR A 113
SER A 106
LYS A 140
None
1.11A 3aocC-3anyA:
undetectable
3aocC-3anyA:
18.77
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE


(Thermoanaerobacterium
thermosulfurigenes)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
3 THR A 516
SER A   7
LYS A 132
None
1.03A 3aocC-3bmwA:
undetectable
3aocC-3bmwA:
20.73
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF01301
(Glyco_hydro_35)
3 THR A 235
SER A 276
LYS A 338
None
1.10A 3aocC-3d3aA:
undetectable
3aocC-3d3aA:
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.
3dan CYTOCHROME P450 74A2

(Parthenium
argentatum)
PF00067
(p450)
3 THR A  93
SER A 110
LYS A 424
None
HEM  A 600 ( 3.9A)
HEM  A 600 (-2.7A)
1.21A 3aocC-3danA:
undetectable
3aocC-3danA:
18.60
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.
3f8h PUTATIVE POLYKETIDE
CYCLASE


(Ruegeria sp.
TM1040)
PF12680
(SnoaL_2)
3 THR A   4
SER A  25
LYS A  41
None
0.96A 3aocC-3f8hA:
undetectable
3aocC-3f8hA:
9.33
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.
3fhc ATP-DEPENDENT RNA
HELICASE DDX19B


(Homo sapiens)
PF00270
(DEAD)
3 THR B 276
SER B 140
LYS B 144
None
1.01A 3aocC-3fhcB:
undetectable
3aocC-3fhcB:
12.48
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.
3fze PROTEIN STE5

(Saccharomyces
cerevisiae)
PF12194
(Ste5_C)
3 THR A 619
SER A 709
LYS A 739
None
1.04A 3aocC-3fzeA:
undetectable
3aocC-3fzeA:
10.01
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.
3gmw BETA-LACTAMASE
INHIBITORY PROTEIN
BLIP-I


(Streptomyces
exfoliatus)
PF07467
(BLIP)
3 THR B 132
SER B  79
LYS B  81
None
0.90A 3aocC-3gmwB:
undetectable
3aocC-3gmwB:
9.10
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.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN


(Streptococcus
thermophilus)
PF00497
(SBP_bac_3)
3 THR A 114
SER A 120
LYS A 240
None
1.11A 3aocC-3hv1A:
undetectable
3aocC-3hv1A:
14.34
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.
3hxl UNCHARACTERIZED
PROTEIN DSY3957


(Desulfitobacterium
hafniense)
PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C)
3 THR A 262
SER A 207
LYS A 213
None
1.21A 3aocC-3hxlA:
undetectable
3aocC-3hxlA:
18.81
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.
3ju8 SUCCINYLGLUTAMIC
SEMIALDEHYDE
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00171
(Aldedh)
3 THR A 226
SER A 172
LYS A 170
NAD  A 501 (-3.3A)
NAD  A 501 (-4.3A)
NAD  A 501 (-2.7A)
1.05A 3aocC-3ju8A:
1.2
3aocC-3ju8A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k32 UNCHARACTERIZED
PROTEIN MJ0690


(Methanocaldococcus
jannaschii)
no annotation 3 THR A 191
SER A 148
LYS A 197
None
1.18A 3aocC-3k32A:
undetectable
3aocC-3k32A:
12.17
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.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1


(Sus scrofa)
PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase)
3 THR A 219
SER A 477
LYS A 480
None
1.10A 3aocC-3n23A:
4.1
3aocC-3n23A:
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.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD


(Escherichia
coli)
PF00577
(Usher)
3 THR A 487
SER A 503
LYS A 483
None
1.19A 3aocC-3ohnA:
undetectable
3aocC-3ohnA:
21.04
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.
3rsj BONT/F

(Clostridium
botulinum)
PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N)
3 THR A1141
SER A1002
LYS A1007
None
1.19A 3aocC-3rsjA:
undetectable
3aocC-3rsjA:
16.63
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.
3u4a JMB19063

(compost
metagenome)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
3 THR A 620
SER A 562
LYS A 564
None
1.19A 3aocC-3u4aA:
undetectable
3aocC-3u4aA:
22.41
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.
3ugg SUCROSE:(SUCROSE/FRU
CTAN)
6-FRUCTOSYLTRANSFERA
SE


(Pachysandra
terminalis)
PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C)
3 THR A 507
SER A 459
LYS A 463
None
1.05A 3aocC-3uggA:
undetectable
3aocC-3uggA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zl8 UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE


(Thermotoga
maritima)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
3 THR A 183
SER A  90
LYS A  93
None
None
ADP  A1441 (-2.8A)
1.11A 3aocC-3zl8A:
undetectable
3aocC-3zl8A:
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE


(Staphylococcus
aureus)
PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
3 THR A  32
SER A 158
LYS A 162
None
1.18A 3aocC-4c13A:
undetectable
3aocC-4c13A:
18.26
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.
4efi 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
SYNTHASE


(Paraburkholderia
xenovorans)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
3 THR A 358
SER A  68
LYS A 163
None
1.16A 3aocC-4efiA:
undetectable
3aocC-4efiA:
17.03
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.
4eze HALOACID
DEHALOGENASE-LIKE
HYDROLASE


(Salmonella
enterica)
PF12710
(HAD)
3 THR A  96
SER A 180
LYS A 225
None
1.14A 3aocC-4ezeA:
3.6
3aocC-4ezeA:
15.17
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.
4fcs VERSATILE PEROXIDASE
VPL2


(Pleurotus
eryngii)
PF00141
(peroxidase)
PF11895
(Peroxidase_ext)
3 THR A  73
SER A  86
LYS A  89
None
1.08A 3aocC-4fcsA:
undetectable
3aocC-4fcsA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fg0 POLYPROTEIN

(Saint Louis
encephalitis
virus)
PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C)
3 THR A 357
SER A  29
LYS A  44
None
1.00A 3aocC-4fg0A:
undetectable
3aocC-4fg0A:
16.41
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE


(Solanum
lycopersicum)
PF00171
(Aldedh)
3 THR A 242
SER A 187
LYS A 185
NAD  A 601 (-2.8A)
NAD  A 601 (-3.5A)
NAD  A 601 (-2.7A)
1.16A 3aocC-4i8qA:
undetectable
3aocC-4i8qA:
18.47
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.
4jrf PUTATIVE CELL
ADHESION PROTEIN


(Bacteroides
ovatus)
PF15495
(Fimbrillin_C)
3 THR A 487
SER A 280
LYS A 246
PG4  A 614 (-3.6A)
None
None
1.21A 3aocC-4jrfA:
undetectable
3aocC-4jrfA:
19.25
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.
4loa DE-NOVO DESIGN
AMIDASE


(synthetic
construct)
PF01202
(SKI)
3 THR A 134
SER A  13
LYS A  17
None
0.95A 3aocC-4loaA:
undetectable
3aocC-4loaA:
9.97
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.
4n7b LYTB

(Plasmodium
falciparum)
PF02401
(LYTB)
3 THR A 200
SER A 194
LYS A 103
None
None
NA  A 405 ( 4.6A)
0.86A 3aocC-4n7bA:
undetectable
3aocC-4n7bA:
18.78
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.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL


(Homo sapiens)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc)
3 THR D 872
SER D 882
LYS D 885
None
None
MLY  D 884 ( 3.1A)
1.17A 3aocC-4ngeD:
5.2
3aocC-4ngeD:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL


(Homo sapiens)
PF00171
(Aldedh)
3 THR A 290
SER A 208
LYS A 233
None
1.02A 3aocC-4oe5A:
undetectable
3aocC-4oe5A:
19.65
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.
4p4s INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1
INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1


(Homo sapiens;
Homo sapiens)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
3 THR A 225
SER B  80
LYS B  83
None
GCP  B 701 (-4.5A)
GCP  B 701 (-2.5A)
1.20A 3aocC-4p4sA:
undetectable
3aocC-4p4sA:
13.49
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.
4p4s INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1
INTERFERON-INDUCED
GTP-BINDING PROTEIN
MX1


(Homo sapiens;
Homo sapiens)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
3 THR B 225
SER A  80
LYS A  83
None
GCP  A 401 (-4.4A)
GCP  A 401 (-2.6A)
1.16A 3aocC-4p4sB:
3.0
3aocC-4p4sB:
16.50
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.
4pba UNCHARACTERIZED
PROTEIN ABASI


(Acinetobacter
baumannii)
no annotation 3 THR B 246
SER B 239
LYS B  55
None
1.17A 3aocC-4pbaB:
undetectable
3aocC-4pbaB:
15.00
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.
4tm3 KTZI

(Kutzneria sp.
744)
PF13434
(K_oxygenase)
3 THR A 274
SER A 406
LYS A  67
None
None
BR  A 504 (-4.0A)
1.19A 3aocC-4tm3A:
undetectable
3aocC-4tm3A:
17.31
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.
4txa ROQUIN-1

(Mus musculus)
PF13445
(zf-RING_UBOX)
3 THR A 167
SER A 160
LYS A 136
None
1.13A 3aocC-4txaA:
undetectable
3aocC-4txaA:
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.
4u0p LIPOYL SYNTHASE 2

(Thermosynechococcus
elongatus)
PF04055
(Radical_SAM)
3 THR B  55
SER B 282
LYS B 206
NA  B 304 (-4.0A)
NA  B 304 ( 4.9A)
None
1.14A 3aocC-4u0pB:
undetectable
3aocC-4u0pB:
14.80
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER


(Drosophila
melanogaster)
PF00209
(SNF)
3 THR A  29
SER A 259
LYS A 263
None
1.20A 3aocC-4xnuA:
undetectable
3aocC-4xnuA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xzk PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS


(Vibrio
splendidus)
PF03496
(ADPrib_exo_Tox)
3 THR A  82
SER A 234
LYS A 122
None
1.18A 3aocC-4xzkA:
undetectable
3aocC-4xzkA:
12.28
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
3 THR C 278
SER C 360
LYS C 411
None
0.74A 3aocC-4z42C:
undetectable
3aocC-4z42C:
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.
4zb6 PCURE2P4

(Phanerochaete
chrysosporium)
PF00043
(GST_C)
PF02798
(GST_N)
3 THR A  98
SER A  93
LYS A 165
None
0.96A 3aocC-4zb6A:
undetectable
3aocC-4zb6A:
11.26
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.
4zb8 PCURE2P6

(Phanerochaete
chrysosporium)
PF00043
(GST_C)
PF02798
(GST_N)
3 THR A  97
SER A  92
LYS A 164
None
0.94A 3aocC-4zb8A:
undetectable
3aocC-4zb8A:
10.98
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.
4zk6 QUINOLINATE SYNTHASE
A


(Pyrococcus
horikoshii)
PF02445
(NadA)
3 THR A 263
SER A  78
LYS A 275
None
1.21A 3aocC-4zk6A:
undetectable
3aocC-4zk6A:
14.94
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.
5amw FRA A 2 ALLERGEN

(Fragaria x
ananassa)
PF00407
(Bet_v_1)
3 THR A   8
SER A 142
LYS A 146
None
1.21A 3aocC-5amwA:
undetectable
3aocC-5amwA:
10.75
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.
5bpz ANAPC5 PROTEIN

(Xenopus laevis)
no annotation 3 THR A 120
SER A  45
LYS A  55
None
1.05A 3aocC-5bpzA:
undetectable
3aocC-5bpzA:
10.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5csa ACETYL-COA
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF00364
(Biotin_lipoyl)
PF08326
(ACC_central)
3 THR A1288
SER A1306
LYS A1328
None
0.89A 3aocC-5csaA:
3.0
3aocC-5csaA:
23.01
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.
5csl ACETYL-COA
CARBOXYLASE


(Saccharomyces
cerevisiae)
PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central)
3 THR A1288
SER A1306
LYS A1328
None
1.02A 3aocC-5cslA:
2.3
3aocC-5cslA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB


(Escherichia
coli)
PF00873
(ACR_tran)
3 THR A  91
SER A 134
LYS A 292
None
0.56A 3aocC-5enoA:
47.3
3aocC-5enoA:
73.16
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.
5ey5 LBCA-B

(synthetic
construct)
PF00291
(PALP)
3 THR B 382
SER B 296
LYS B 257
None
1.15A 3aocC-5ey5B:
undetectable
3aocC-5ey5B:
17.88
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.
5fji BETA-GLUCOSIDASE

(Aspergillus
fumigatus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
3 THR A 656
SER A 594
LYS A 596
EDO  A1875 ( 4.7A)
None
None
1.11A 3aocC-5fjiA:
undetectable
3aocC-5fjiA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gja 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
OXIDASE 2


(Arabidopsis
thaliana)
PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N)
3 THR A 228
SER A 234
LYS A 295
None
1.16A 3aocC-5gjaA:
undetectable
3aocC-5gjaA:
12.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gwj DNA TOPOISOMERASE
2-BETA


(Homo sapiens)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C)
3 THR A1012
SER A1015
LYS A1027
None
1.12A 3aocC-5gwjA:
2.1
3aocC-5gwjA:
22.04
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00202
(Aminotran_3)
3 THR A 168
SER A 183
LYS A 143
None
1.16A 3aocC-5hdmA:
1.3
3aocC-5hdmA:
19.31
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN


(Chaetomium
thermophilum)
PF01039
(Carboxyl_trans)
PF08326
(ACC_central)
3 THR A1087
SER A1306
LYS A1350
None
1.04A 3aocC-5i6hA:
undetectable
3aocC-5i6hA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5izd D-GLYCERALDEHYDE
DEHYDROGENASE
(NADP(+))


(Thermoplasma
acidophilum)
PF00171
(Aldedh)
3 THR A 229
SER A 174
LYS A 172
NAP  A 601 (-3.3A)
NAP  A 601 (-3.4A)
NAP  A 601 (-3.0A)
1.10A 3aocC-5izdA:
1.7
3aocC-5izdA:
19.78
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE


(Rhizobium
leguminosarum)
PF00920
(ILVD_EDD)
3 THR A 202
SER A 276
LYS A 397
None
1.09A 3aocC-5j84A:
undetectable
3aocC-5j84A:
20.64
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.
5k6o B-GLUCOSIDASE

(metagenome)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
3 THR A 280
SER A 222
LYS A 224
None
1.02A 3aocC-5k6oA:
undetectable
3aocC-5k6oA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5okd CYTOCHROME C1, HEME
PROTEIN,
MITOCHONDRIAL


(Bos taurus)
no annotation 3 THR D 188
SER D  20
LYS D 202
None
0.92A 3aocC-5okdD:
undetectable
3aocC-5okdD:
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.
5oqr CONDENSIN COMPLEX
SUBUNIT 3


(Schizosaccharomyces
pombe)
no annotation 3 THR A 803
SER A 767
LYS A 771
None
1.06A 3aocC-5oqrA:
3.5
3aocC-5oqrA:
20.56
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.
5t96 HE PROTEIN

(Salmon isavirus)
PF06215
(ISAV_HA)
3 THR A  92
SER A  67
LYS A 171
None
1.16A 3aocC-5t96A:
undetectable
3aocC-5t96A:
16.93
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.
5thx FERREDOXIN--NADP
REDUCTASE


(Neisseria
gonorrhoeae)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
3 THR A  21
SER A  57
LYS A 127
None
0.88A 3aocC-5thxA:
undetectable
3aocC-5thxA:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wab PUTATIVE
BETA-GLUCOSIDASE


(Bifidobacterium
adolescentis)
no annotation 3 THR A  43
SER A  52
LYS A  65
None
1.14A 3aocC-5wabA:
undetectable
3aocC-5wabA:
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.
5y89 PUTATIVE HEMIN
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN


(Burkholderia
cenocepacia)
no annotation 3 THR A  72
SER A 107
LYS A 141
HEM  A 401 (-3.1A)
None
None
1.06A 3aocC-5y89A:
undetectable
3aocC-5y89A:
14.11
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.
5yq7 CYTOCHROME SUBUNIT
OF PHOTOSYNTHETIC
REACTION CENTER


(Roseiflexus
castenholzii)
no annotation 3 THR C 212
SER C 251
LYS C 257
HEM  C 503 (-3.0A)
None
None
1.15A 3aocC-5yq7C:
undetectable
3aocC-5yq7C:
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8


(Homo sapiens)
no annotation 3 THR A 179
SER A 310
LYS A 314
GGL  A 601 (-3.2A)
None
GGL  A 601 (-3.0A)
1.17A 3aocC-6bszA:
undetectable
3aocC-6bszA:
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.
6cei G117

(Conus
geographus)
no annotation 3 THR A   4
SER A  17
LYS A  32
None
1.11A 3aocC-6ceiA:
undetectable
3aocC-6ceiA:
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.
6fmq -

(-)
no annotation 3 THR A 588
SER A 592
LYS A 551
None
0.93A 3aocC-6fmqA:
undetectable
3aocC-6fmqA:
undetectable