SIMILAR PATTERNS OF AMINO ACIDS FOR 4A97_E_ZPCE1318_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1air PECTATE LYASE C

(Dickeya
chrysanthemi)
PF00544
(Pec_lyase_C)
4 PHE A 103
VAL A  82
ILE A  33
GLU A  60
None
0.95A 4a97D-1airA:
undetectable
4a97D-1airA:
20.55
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.
1bf6 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN


(Escherichia
coli)
PF02126
(PTE)
4 PHE A   3
VAL A  78
ARG A 153
ILE A 122
None
0.98A 4a97D-1bf6A:
0.0
4a97D-1bf6A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1by7 PROTEIN (PLASMINOGEN
ACTIVATOR
INHIBITOR-2)


(Homo sapiens)
PF00079
(Serpin)
4 VAL A 173
ILE A 169
ASN A 170
GLU A 315
None
1.10A 4a97D-1by7A:
undetectable
4a97D-1by7A:
20.90
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.
1byr PROTEIN
(ENDONUCLEASE)


(Salmonella
enterica)
PF13091
(PLDc_2)
4 PHE A 110
VAL A  19
ILE A  23
GLU A 122
None
0.97A 4a97D-1byrA:
undetectable
4a97D-1byrA:
19.61
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.
1ciy CRYIA(A)

(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
4 PHE A 574
TYR A 522
VAL A 524
ILE A 601
None
1.08A 4a97D-1ciyA:
4.0
4a97D-1ciyA:
20.10
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE


(Sus scrofa)
PF00151
(Lipase)
PF01477
(PLAT)
4 PHE A 387
TYR A 341
VAL A 343
ILE A 419
None
0.99A 4a97D-1ethA:
0.0
4a97D-1ethA:
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.
1f82 BOTULINUM NEUROTOXIN
TYPE B


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
4 PHE A 154
VAL A 135
ARG A  27
ILE A 132
None
0.99A 4a97D-1f82A:
0.0
4a97D-1f82A:
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.
1kfu M-CALPAIN LARGE
SUBUNIT


(Homo sapiens)
PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8)
4 PHE L 475
VAL L 409
ILE L 499
GLU L 460
None
0.80A 4a97D-1kfuL:
0.0
4a97D-1kfuL:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lpb LIPASE

(Homo sapiens)
PF00151
(Lipase)
PF01477
(PLAT)
4 PHE B 386
TYR B 340
VAL B 342
ILE B 420
None
0.88A 4a97D-1lpbB:
0.0
4a97D-1lpbB:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE


(Arthrobacter
sp.)
PF00857
(Isochorismatase)
4 VAL A  75
MET A  68
ILE A  71
GLU A 139
None
0.60A 4a97D-1nbaA:
undetectable
4a97D-1nbaA:
19.94
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.
1q9p HIV-1 PROTEASE

(Homo sapiens)
PF00077
(RVP)
4 TYR A  59
VAL A  75
ILE A  64
GLU A  35
None
1.10A 4a97D-1q9pA:
undetectable
4a97D-1q9pA:
16.12
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.
1qgi PROTEIN
(CHITOSANASE)


(Bacillus
circulans)
PF01374
(Glyco_hydro_46)
4 MET A  30
ILE A  33
ASN A  34
GLU A  51
None
0.97A 4a97D-1qgiA:
undetectable
4a97D-1qgiA:
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.
1qjo DIHYDROLIPOAMIDE
ACETYLTRANSFERASE


(Escherichia
coli)
PF00364
(Biotin_lipoyl)
4 VAL A  65
MET A  72
ILE A  71
GLU A  38
None
1.05A 4a97D-1qjoA:
undetectable
4a97D-1qjoA:
15.61
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 PHE A  53
VAL A  58
ILE A 117
ASN A 119
None
1.07A 4a97D-1rrhA:
undetectable
4a97D-1rrhA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1twd COPPER HOMEOSTASIS
PROTEIN CUTC


(Shigella
flexneri)
PF03932
(CutC)
4 VAL A 118
MET A 106
ILE A 109
GLU A   5
None
1.06A 4a97D-1twdA:
undetectable
4a97D-1twdA:
19.28
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.
1vpk DNA POLYMERASE III,
BETA SUBUNIT


(Thermotoga
maritima)
PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3)
4 PHE A  68
VAL A  70
MET A  78
ILE A  75
None
1.08A 4a97D-1vpkA:
undetectable
4a97D-1vpkA:
23.27
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.
1wu8 HYPOTHETICAL PROTEIN
PH0463


(Pyrococcus
horikoshii)
PF01887
(SAM_adeno_trans)
4 TYR A  85
VAL A  87
ILE A 109
GLU A 140
None
1.09A 4a97D-1wu8A:
undetectable
4a97D-1wu8A:
24.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wxx HYPOTHETICAL PROTEIN
TTHA1280


(Thermus
thermophilus)
PF10672
(Methyltrans_SAM)
5 PHE A 335
TYR A 304
VAL A 339
ILE A 312
ASN A 308
None
1.30A 4a97D-1wxxA:
undetectable
4a97D-1wxxA:
22.49
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.
1xew SMC PROTEIN

(Pyrococcus
furiosus)
PF02463
(SMC_N)
4 PHE X  12
TYR X  15
VAL X  82
ILE X  84
None
0.92A 4a97D-1xewX:
undetectable
4a97D-1xewX:
20.97
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.
1xl3 PROTEIN TYPE A

(Yersinia pestis)
PF09059
(TyeA)
4 PHE C  60
VAL C  16
MET C   9
ILE C  12
None
1.04A 4a97D-1xl3C:
4.4
4a97D-1xl3C:
15.85
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.
1xmx HYPOTHETICAL PROTEIN
VC1899


(Vibrio cholerae)
PF09002
(DUF1887)
4 PHE A 106
TYR A 109
VAL A  87
ILE A   3
None
0.96A 4a97D-1xmxA:
undetectable
4a97D-1xmxA:
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.
1yal CHYMOPAPAIN

(Carica papaya)
PF00112
(Peptidase_C1)
4 VAL A 161
MET A 191
ILE A 177
ASN A 179
None
0.93A 4a97D-1yalA:
undetectable
4a97D-1yalA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eaa 7S GLOBULIN-3

(Vigna angularis)
PF00190
(Cupin_1)
4 PHE A  47
TYR A  60
VAL A  62
ILE A 134
None
0.89A 4a97D-2eaaA:
undetectable
4a97D-2eaaA:
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.
2f6h MYOSIN-2

(Saccharomyces
cerevisiae)
PF01843
(DIL)
4 PHE X 168
TYR X 129
VAL X 125
ILE X 175
None
1.07A 4a97D-2f6hX:
2.7
4a97D-2f6hX:
21.78
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.
2fk7 METHOXY MYCOLIC ACID
SYNTHASE 4


(Mycobacterium
tuberculosis)
PF02353
(CMAS)
4 TYR A  59
VAL A  62
ILE A 145
GLU A  93
None
0.96A 4a97D-2fk7A:
undetectable
4a97D-2fk7A:
18.79
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.
2fuq HEPARINASE II
PROTEIN


(Pedobacter
heparinus)
PF07940
(Hepar_II_III)
PF16332
(DUF4962)
4 TYR A 417
ARG A 384
ILE A 382
GLU A 648
None
1.06A 4a97D-2fuqA:
4.6
4a97D-2fuqA:
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.
2gwn DIHYDROOROTASE

(Porphyromonas
gingivalis)
PF01979
(Amidohydro_1)
4 PHE A 415
VAL A 396
ILE A 401
GLU A 345
None
1.10A 4a97D-2gwnA:
undetectable
4a97D-2gwnA:
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.
2qc7 ENDOPLASMIC
RETICULUM PROTEIN
ERP29


(Homo sapiens)
PF07749
(ERp29)
PF07912
(ERp29_N)
4 PHE A  46
VAL A  91
ILE A  93
ASN A 101
None
1.00A 4a97D-2qc7A:
2.7
4a97D-2qc7A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qn0 NEUROTOXIN

(Clostridium
botulinum)
PF01742
(Peptidase_M27)
4 TYR A 202
VAL A 379
ILE A 256
GLU A 360
None
1.01A 4a97D-2qn0A:
undetectable
4a97D-2qn0A:
22.07
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.
2uut RNA-DIRECTED RNA
POLYMERASE


(Sapporo virus)
PF00680
(RdRP_1)
4 PHE A 337
TYR A  90
VAL A  87
ILE A 261
None
1.11A 4a97D-2uutA:
undetectable
4a97D-2uutA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE


(Aquifex
aeolicus)
PF00288
(GHMP_kinases_N)
4 TYR A  63
VAL A  62
ILE A  83
GLU A  70
None
1.03A 4a97D-2v8pA:
undetectable
4a97D-2v8pA:
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.
2yjg LACTATE RACEMASE
APOPROTEIN


(Thermoanaerobacterium
thermosaccharolyticum)
PF09861
(DUF2088)
4 TYR A 381
VAL A 384
ILE A 293
GLU A 397
None
0.93A 4a97D-2yjgA:
undetectable
4a97D-2yjgA:
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.
2z3k LEUCYL/PHENYLALANYL-
TRNA-PROTEIN
TRANSFERASE


(Escherichia
coli)
PF03588
(Leu_Phe_trans)
4 TYR A  87
VAL A  89
MET A 144
ILE A 132
None
None
PHE  A 302 ( 3.6A)
None
0.79A 4a97D-2z3kA:
undetectable
4a97D-2z3kA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zi8 PROBABLE
BIPHENYL-2,3-DIOL
1,2-DIOXYGENASE BPHC


(Mycobacterium
tuberculosis)
PF00903
(Glyoxalase)
4 PHE A 136
VAL A 218
MET A 257
ILE A 265
None
0.93A 4a97D-2zi8A:
undetectable
4a97D-2zi8A:
21.26
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.
2zsg AMINOPEPTIDASE P,
PUTATIVE


(Thermotoga
maritima)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
4 PHE A  38
ILE A  24
ASN A  23
GLU A  67
None
1.07A 4a97D-2zsgA:
undetectable
4a97D-2zsgA:
21.32
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.
3al8 SEMAPHORIN-6A

(Mus musculus)
PF01403
(Sema)
PF01437
(PSI)
4 PHE A 291
TYR A 292
ILE A 295
ASN A 294
None
1.09A 4a97D-3al8A:
undetectable
4a97D-3al8A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bm3 PSPGI RESTRICTION
ENDONUCLEASE


(Pyrococcus sp.
GI-H)
PF09019
(EcoRII-C)
4 PHE A 104
VAL A 159
ILE A 157
GLU A  60
None
0.66A 4a97D-3bm3A:
4.4
4a97D-3bm3A:
23.82
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
4 VAL A 140
MET A 104
ILE A 126
ASN A 124
None
RJ6  A 609 ( 4.0A)
None
None
0.96A 4a97D-3dg8A:
undetectable
4a97D-3dg8A:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE


(Neisseria
meningitidis)
PF01048
(PNP_UDP_1)
4 VAL A 172
ARG A 166
ILE A 165
GLU A 145
None
1.07A 4a97D-3eeiA:
undetectable
4a97D-3eeiA:
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.
3ejg NON-STRUCTURAL
PROTEIN 3


(Human
coronavirus
229E)
PF01661
(Macro)
4 PHE A   6
TYR A  15
VAL A 150
ILE A 120
None
0.96A 4a97D-3ejgA:
undetectable
4a97D-3ejgA:
16.16
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.
3eo6 PROTEIN OF UNKNOWN
FUNCTION (DUF1255)


(Acidithiobacillus
ferrooxidans)
PF06865
(DUF1255)
4 VAL A  59
MET A  83
ILE A  57
GLU A  97
None
0.99A 4a97D-3eo6A:
undetectable
4a97D-3eo6A:
14.58
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.
3ewr NON-STRUCTURAL
PROTEIN 3


(Human
coronavirus
229E)
PF01661
(Macro)
4 PHE A   7
TYR A  16
VAL A 151
ILE A 121
None
None
APR  A 169 ( 4.6A)
None
0.93A 4a97D-3ewrA:
undetectable
4a97D-3ewrA:
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.
3fmq METHIONINE
AMINOPEPTIDASE 2


(Encephalitozoon
cuniculi)
PF00557
(Peptidase_M24)
4 PHE A 148
VAL A 146
MET A 101
ILE A 129
None
1.06A 4a97D-3fmqA:
undetectable
4a97D-3fmqA:
24.05
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.
3i83 2-DEHYDROPANTOATE
2-REDUCTASE


(Methylococcus
capsulatus)
PF02558
(ApbA)
PF08546
(ApbA_C)
4 TYR A 293
VAL A 292
ILE A 219
GLU A 300
None
0.84A 4a97D-3i83A:
2.7
4a97D-3i83A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib5 SEX PHEROMONE
PRECURSOR


(Lactobacillus
salivarius)
PF07537
(CamS)
4 TYR A 146
VAL A 147
MET A 227
ILE A 172
None
0.84A 4a97D-3ib5A:
undetectable
4a97D-3ib5A:
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.
3ihp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 5


(Homo sapiens)
PF00443
(UCH)
PF00627
(UBA)
PF02148
(zf-UBP)
4 PHE A 461
TYR A 568
VAL A 570
ILE A 827
None
1.05A 4a97D-3ihpA:
undetectable
4a97D-3ihpA:
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.
3j82 C-TYPE LECTIN DOMAIN
FAMILY 9 MEMBER A


(Mus musculus)
PF00059
(Lectin_C)
4 TYR A 236
VAL A 198
MET A 181
ILE A 175
None
0.98A 4a97D-3j82A:
undetectable
4a97D-3j82A:
15.81
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF4


(Schizosaccharomyces
pombe)
PF02184
(HAT)
4 TYR R 194
VAL R 198
ASN R 206
GLU R 214
None
1.05A 4a97D-3jb9R:
4.8
4a97D-3jb9R:
17.16
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.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1


(Homo sapiens)
PF00061
(Lipocalin)
4 PHE A  32
TYR A  37
VAL A  41
ILE A  44
None
1.06A 4a97D-3kq0A:
undetectable
4a97D-3kq0A:
19.33
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.
3ltf PROTEIN SPITZ

(Drosophila
melanogaster)
no annotation 4 PHE D  23
VAL D  25
ILE D  27
GLU D  36
None
0.84A 4a97D-3ltfD:
undetectable
4a97D-3ltfD:
10.10
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.
3ltg PROTEIN SPITZ

(Drosophila
melanogaster)
PF00008
(EGF)
4 PHE D  23
VAL D  25
ILE D  27
GLU D  36
None
0.81A 4a97D-3ltgD:
undetectable
4a97D-3ltgD:
10.26
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.
3ml6 CHIMERIC COMPLEX
BETWEEN PROTEIN
DISHEVLLED2 HOMOLOG
DVL-2 AND CLATHRIN
ADAPTOR AP-2 COMPLEX
SUBUNIT MU


(Mus musculus;
Rattus
norvegicus)
PF00610
(DEP)
PF00928
(Adap_comp_sub)
4 PHE A 469
TYR A 463
VAL A 466
MET A 430
None
0.93A 4a97D-3ml6A:
2.2
4a97D-3ml6A:
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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, BETA
CHAIN


(Escherichia
coli)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5)
4 VAL B 250
ILE B 246
ASN B 254
GLU B 334
None
1.06A 4a97D-3pcoB:
undetectable
4a97D-3pcoB:
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Plasmodium
falciparum)
PF00186
(DHFR_1)
PF00303
(Thymidylat_synt)
4 VAL A 140
MET A 104
ILE A 126
ASN A 124
None
1CY  A 609 ( 4.5A)
None
None
0.81A 4a97D-3um6A:
undetectable
4a97D-3um6A:
17.59
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.
3v9e LACCASE

(Botrytis aclada)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
4 PHE A 393
TYR A 397
VAL A 399
GLU A 390
None
0.96A 4a97D-3v9eA:
undetectable
4a97D-3v9eA:
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.
3vtz GLUCOSE
1-DEHYDROGENASE


(Thermoplasma
volcanium)
PF13561
(adh_short_C2)
4 TYR A 109
VAL A 105
ILE A 101
ASN A 106
None
0.91A 4a97D-3vtzA:
undetectable
4a97D-3vtzA:
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.
3wiq KOJIBIOSE
PHOSPHORYLASE


(Caldicellulosiruptor
saccharolyticus)
PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N)
4 PHE A 655
VAL A 307
ILE A 311
ASN A 310
None
0.93A 4a97D-3wiqA:
3.0
4a97D-3wiqA:
16.58
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.
3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE


(Escherichia
coli)
PF13302
(Acetyltransf_3)
4 TYR A  30
VAL A 122
ILE A 130
ASN A 126
COA  A 202 (-3.4A)
COA  A 202 ( 4.8A)
None
COA  A 202 ( 4.7A)
1.04A 4a97D-3wr7A:
undetectable
4a97D-3wr7A:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis)
PF00753
(Lactamase_B)
PF07521
(RMMBL)
4 PHE A 130
VAL A 128
ILE A 122
GLU A  32
None
0.89A 4a97D-3zq4A:
undetectable
4a97D-3zq4A:
19.18
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.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae)
PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T)
4 PHE A  17
VAL A 135
ILE A 150
ASN A 151
None
0.84A 4a97D-4ae0A:
2.9
4a97D-4ae0A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4avo BETA-1,4-EXOCELLULAS
E


(Thermobifida
fusca)
PF01341
(Glyco_hydro_6)
4 TYR A 397
VAL A 398
ARG A 387
ILE A 386
None
0.97A 4a97D-4avoA:
undetectable
4a97D-4avoA:
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.
4bwf UBIQUITIN-CONJUGATIN
G ENZYME E2-21 KDA


(Saccharomyces
cerevisiae)
PF00179
(UQ_con)
4 ARG A 177
ILE A 102
ASN A 101
GLU A  62
None
0.86A 4a97D-4bwfA:
undetectable
4a97D-4bwfA:
19.22
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.
4c8q DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1


(Saccharomyces
cerevisiae)
PF09770
(PAT1)
4 PHE H 681
VAL H 727
ILE H 724
GLU H 701
None
None
None
CO  H1080 (-3.8A)
1.05A 4a97D-4c8qH:
undetectable
4a97D-4c8qH:
23.14
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.
4eg9 UNCHARACTERIZED
PROTEIN
SAOUHSC_02783


(Staphylococcus
aureus)
PF04507
(DUF576)
4 VAL A  95
ILE A  75
ASN A  77
GLU A 126
None
0.79A 4a97D-4eg9A:
undetectable
4a97D-4eg9A:
19.50
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.
4hpf POTASSIUM CHANNEL
SUBFAMILY U MEMBER 1


(Homo sapiens)
PF03493
(BK_channel_a)
4 TYR A 917
ILE A 472
ASN A 471
GLU A 558
None
1.03A 4a97D-4hpfA:
undetectable
4a97D-4hpfA:
18.58
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.
4my5 PUTATIVE AMINO ACID
AMINOTRANSFERASE


(Streptococcus
mutans)
PF00155
(Aminotran_1_2)
4 TYR A 208
ILE A 171
ASN A 173
GLU A  39
None
1.07A 4a97D-4my5A:
undetectable
4a97D-4my5A:
23.47
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.
4p27 VENOM ALLERGEN-LIKE
(VAL) 4 PROTEIN


(Schistosoma
mansoni)
PF00188
(CAP)
4 PHE A  14
VAL A  18
ILE A  27
GLU A  85
None
0.92A 4a97D-4p27A:
undetectable
4a97D-4p27A:
18.57
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.
4p68 DIHYDROFOLATE
REDUCTASE


(Escherichia
coli)
PF00186
(DHFR_1)
4 VAL A  72
MET A  42
ILE A  61
ASN A  59
None
None
None
XCN  A  54 ( 3.0A)
0.84A 4a97D-4p68A:
undetectable
4a97D-4p68A:
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.
4q3o MGS-MT1

(unidentified)
PF07859
(Abhydrolase_3)
4 TYR A 157
VAL A 155
MET A 190
ILE A 122
None
1.06A 4a97D-4q3oA:
undetectable
4a97D-4q3oA:
21.98
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.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524)
PF08787
(Alginate_lyase2)
4 PHE A 239
TYR A 395
VAL A 393
ILE A 175
None
1.03A 4a97D-4q8kA:
undetectable
4a97D-4q8kA:
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.
4q8l ALGINASE

(Pseudoalteromonas
sp. SM0524)
PF08787
(Alginate_lyase2)
4 PHE A  72
TYR A 228
VAL A 226
ILE A   8
None
1.02A 4a97D-4q8lA:
undetectable
4a97D-4q8lA:
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.
4qni UNCHARACTERIZED
PROTEIN


(Bacteroides
thetaiotaomicron)
PF14274
(DUF4361)
PF16343
(DUF4973)
4 TYR A 328
VAL A 330
ILE A 200
ASN A 202
None
None
EDO  A 403 ( 4.1A)
EDO  A 403 ( 4.9A)
0.98A 4a97D-4qniA:
undetectable
4a97D-4qniA:
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.
4rep GAMMA-CAROTENE
DESATURASE


(Nonlabens
dokdonensis)
PF01593
(Amino_oxidase)
4 VAL A 257
MET A 286
ILE A 250
GLU A 486
None
0.95A 4a97D-4repA:
undetectable
4a97D-4repA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL


(Dickeya
chrysanthemi)
PF02931
(Neur_chan_LBD)
6 PHE A  19
TYR A  38
VAL A  40
ARG A  91
MET A  93
ILE A 101
None
0.45A 4a97D-4twfA:
33.6
4a97D-4twfA:
99.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL


(Dickeya
chrysanthemi)
PF02931
(Neur_chan_LBD)
5 PHE A  19
VAL A  40
ARG A  91
MET A  93
ASN A 103
None
0.85A 4a97D-4twfA:
33.6
4a97D-4twfA:
99.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL


(Dickeya
chrysanthemi)
PF02931
(Neur_chan_LBD)
4 TYR A  38
ARG A  91
MET A  93
GLU A 150
None
0.91A 4a97D-4twfA:
33.6
4a97D-4twfA:
99.35
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1


(Mus musculus)
PF00307
(CH)
PF01494
(FAD_binding_3)
4 PHE A 351
VAL A 361
MET A 296
ILE A 240
None
0.98A 4a97D-4txkA:
undetectable
4a97D-4txkA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4unw H3 HAEMAGGLUTININ
HA1 CHAIN


(Influenza A
virus)
PF00509
(Hemagglutinin)
4 TYR A  56
VAL A  58
MET A 268
ILE A  88
None
0.98A 4a97D-4unwA:
undetectable
4a97D-4unwA:
22.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL


(Dickeya
chrysanthemi;
Gloeobacter
violaceus)
PF02931
(Neur_chan_LBD)
6 PHE A  19
TYR A  38
VAL A  40
ARG A  91
ILE A 101
ASN A 103
None
0.55A 4a97D-4yeuA:
29.5
4a97D-4yeuA:
71.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL


(Dickeya
chrysanthemi;
Gloeobacter
violaceus)
PF02931
(Neur_chan_LBD)
5 PHE A  19
VAL A  40
ARG A  91
MET A  93
ILE A 101
None
0.65A 4a97D-4yeuA:
29.5
4a97D-4yeuA:
71.88
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.
4z81 EGF FAMILY
DOMAIN-CONTAINING
PROTEIN


(Toxoplasma
gondii)
PF02430
(AMA-1)
PF07974
(EGF_2)
4 PHE A 367
TYR A 368
VAL A 370
ILE A 154
None
1.10A 4a97D-4z81A:
undetectable
4a97D-4z81A:
19.39
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.
5aee ALPHA-GLUCOSIDASE
YIHQ


(Escherichia
coli)
PF01055
(Glyco_hydro_31)
4 PHE A 530
VAL A 564
ARG A 560
ILE A 678
None
1.09A 4a97D-5aeeA:
undetectable
4a97D-5aeeA:
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9


(Staphylococcus
aureus)
PF13395
(HNH_4)
PF16592
(Cas9_REC)
4 ARG A 980
ILE A 982
ASN A 995
GLU A1006
None
1.02A 4a97D-5czzA:
undetectable
4a97D-5czzA:
13.78
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.
5dxv RETHREADED DHFR

(synthetic
construct)
PF00186
(DHFR_1)
4 VAL A  89
MET A  59
ILE A  78
ASN A  76
None
0.78A 4a97D-5dxvA:
undetectable
4a97D-5dxvA:
18.12
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.
5flz SPINDLE POLE BODY
COMPONENT SPC98


(Saccharomyces
cerevisiae)
PF04130
(Spc97_Spc98)
4 TYR B 187
VAL B 188
ILE B 224
GLU B 182
None
1.07A 4a97D-5flzB:
2.8
4a97D-5flzB:
15.07
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.
5ii5 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR


(Escherichia
coli;
Haliotis
rufescens)
PF11386
(VERL)
PF13416
(SBP_bac_8)
4 PHE A4106
VAL A4123
MET A4077
ILE A4070
None
0.80A 4a97D-5ii5A:
undetectable
4a97D-5ii5A:
19.79
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.
5jb3 30S RIBOSOMAL
PROTEIN S3


(Pyrococcus
abyssi)
PF00189
(Ribosomal_S3_C)
PF07650
(KH_2)
4 TYR Z 166
VAL Z 180
ILE Z 130
GLU Z  22
G  21010 ( 4.4A)
None
None
None
0.95A 4a97D-5jb3Z:
undetectable
4a97D-5jb3Z:
20.38
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.
5l0l UNCHARACTERIZED
PROTEIN


(Legionella
pneumophila)
no annotation 4 TYR A 130
VAL A 132
MET A 224
ILE A 144
None
0.82A 4a97D-5l0lA:
undetectable
4a97D-5l0lA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN


(Pyrococcus
abyssi)
PF00005
(ABC_tran)
PF00037
(Fer4)
PF04068
(RLI)
4 PHE B 322
TYR B 288
VAL B 286
ILE B 284
None
1.09A 4a97D-5lw7B:
undetectable
4a97D-5lw7B:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mc5 XAA-PRO DIPEPTIDASE

(Homo sapiens)
no annotation 4 PHE A  96
TYR A  83
VAL A  85
ILE A  45
None
0.64A 4a97D-5mc5A:
undetectable
4a97D-5mc5A:
14.38
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN6


(Saccharomyces
cerevisiae)
PF01399
(PCI)
4 VAL Q 302
MET Q 271
ILE Q 270
GLU Q 322
None
0.95A 4a97D-5mpdQ:
2.2
4a97D-5mpdQ:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n0l GTP-SENSING
TRANSCRIPTIONAL
PLEIOTROPIC
REPRESSOR CODY


(Clostridioides
difficile)
no annotation 4 PHE A  74
TYR A  78
VAL A  82
ILE A  85
ILE  A 201 ( 4.7A)
None
None
None
1.02A 4a97D-5n0lA:
undetectable
4a97D-5n0lA:
15.25
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.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus)
no annotation 4 VAL A 155
ARG A 332
ILE A 325
GLU A 152
None
0.90A 4a97D-5n7qA:
undetectable
4a97D-5n7qA:
16.14
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.
5tcb PELA

(Pseudomonas
aeruginosa)
PF03537
(Glyco_hydro_114)
4 PHE A 202
VAL A 217
ILE A 220
GLU A 203
None
1.03A 4a97D-5tcbA:
undetectable
4a97D-5tcbA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tph DE NOVO NTF2
HOMODIMER


(synthetic
construct)
PF12680
(SnoaL_2)
4 PHE A  42
VAL A  37
MET A  89
GLU A  47
None
1.01A 4a97D-5tphA:
undetectable
4a97D-5tphA:
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.
5uwb TOLUENE TOLERANCE
PROTEIN


(Pseudomonas
putida)
no annotation 4 TYR B 144
VAL B 164
ILE B 167
ASN B 165
PEF  B 302 (-4.0A)
PEF  B 302 ( 4.6A)
None
PEF  B 302 ( 4.1A)
1.00A 4a97D-5uwbB:
undetectable
4a97D-5uwbB:
19.11
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.
5yfb DIPEPTIDYL PEPTIDASE
3


(Armillaria
tabescens)
no annotation 4 TYR A 313
VAL A 314
ILE A 164
GLU A 324
None
1.00A 4a97D-5yfbA:
undetectable
4a97D-5yfbA:
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.
6d46 BETA SLIDING CLAMP

(Rickettsia
typhi)
no annotation 4 PHE A 353
TYR A 352
VAL A 362
ILE A 376
None
0.98A 4a97D-6d46A:
undetectable
4a97D-6d46A:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f36 MITOCHONDRIAL ATP
SYNTHASE SUBUNIT
ASA6


(Polytomella sp.
Pringsheim
198.80)
no annotation 4 PHE N 129
TYR N 126
VAL N 125
ILE N 120
None
1.09A 4a97D-6f36N:
undetectable
4a97D-6f36N:
14.71
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.
6fhs ARP5

(Chaetomium
thermophilum)
no annotation 4 VAL J  68
MET J 158
ILE J  61
ASN J  63
None
0.73A 4a97D-6fhsJ:
undetectable
4a97D-6fhsJ:
15.07