SIMILAR PATTERNS OF AMINO ACIDS FOR 4A97_I_ZPCI1318_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
0.93A 4a97H-1airA:
undetectable
4a97H-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
1.05A 4a97H-1bf6A:
undetectable
4a97H-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.
1byr PROTEIN
(ENDONUCLEASE)


(Salmonella
enterica)
PF13091
(PLDc_2)
4 PHE A 110
VAL A  19
ILE A  23
GLU A 122
None
1.08A 4a97H-1byrA:
0.0
4a97H-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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)


(Lactobacillus
sp. 30A)
PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C)
4 VAL A 664
ARG A 245
ILE A 251
GLU A 671
None
1.11A 4a97H-1c4kA:
0.0
4a97H-1c4kA:
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.
1ce7 PROTEIN
(RIBOSOME-INACTIVATI
NG PROTEIN TYPE II)


(Viscum album)
PF00161
(RIP)
4 PHE A 209
VAL A 201
ILE A  37
ASN A  35
None
1.14A 4a97H-1ce7A:
0.0
4a97H-1ce7A:
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.
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
1.05A 4a97H-1ciyA:
0.0
4a97H-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.
1e5f METHIONINE
GAMMA-LYASE


(Trichomonas
vaginalis)
PF01053
(Cys_Met_Meta_PP)
4 PHE A 131
VAL A 129
ILE A 127
GLU A 361
None
1.09A 4a97H-1e5fA:
0.0
4a97H-1e5fA:
21.14
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE


(Sus scrofa)
PF00151
(Lipase)
PF01477
(PLAT)
4 PHE A 387
TYR A 341
VAL A 343
ILE A 419
None
0.97A 4a97H-1ethA:
0.0
4a97H-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
1.08A 4a97H-1f82A:
0.0
4a97H-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.
1gpl RP2 LIPASE

(Cavia porcellus)
PF00151
(Lipase)
PF01477
(PLAT)
4 PHE A 386
TYR A 340
VAL A 342
ILE A 420
None
0.89A 4a97H-1gplA:
undetectable
4a97H-1gplA:
18.96
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.
1jc9 TECHYLECTIN-5A

(Tachypleus
tridentatus)
PF00147
(Fibrinogen_C)
4 TYR A  79
VAL A  78
ILE A  65
GLU A 256
None
0.96A 4a97H-1jc9A:
undetectable
4a97H-1jc9A:
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.
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
0.75A 4a97H-1kfuL:
0.3
4a97H-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
0.85A 4a97H-1lpbB:
undetectable
4a97H-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.
1nbq JUNCTIONAL ADHESION
MOLECULE 1


(Homo sapiens)
PF07686
(V-set)
PF13927
(Ig_3)
4 PHE A  55
TYR A  52
VAL A  31
GLU A 113
None
1.14A 4a97H-1nbqA:
undetectable
4a97H-1nbqA:
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.
1nf2 PHOSPHATASE

(Thermotoga
maritima)
PF08282
(Hydrolase_3)
4 TYR A  36
VAL A  38
ILE A  63
GLU A 208
None
1.01A 4a97H-1nf2A:
undetectable
4a97H-1nf2A:
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.
1q9p HIV-1 PROTEASE

(Homo sapiens)
PF00077
(RVP)
4 TYR A  59
VAL A  75
ILE A  64
GLU A  35
None
1.09A 4a97H-1q9pA:
undetectable
4a97H-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.
1rrh SEED LIPOXYGENASE-3

(Glycine max)
PF00305
(Lipoxygenase)
PF01477
(PLAT)
4 PHE A  53
VAL A  58
ILE A 117
ASN A 119
None
1.14A 4a97H-1rrhA:
undetectable
4a97H-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.
1wu8 HYPOTHETICAL PROTEIN
PH0463


(Pyrococcus
horikoshii)
PF01887
(SAM_adeno_trans)
4 TYR A  85
VAL A  87
ILE A 109
GLU A 140
None
1.11A 4a97H-1wu8A:
undetectable
4a97H-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
1.39A 4a97H-1wxxA:
undetectable
4a97H-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
0.97A 4a97H-1xewX:
undetectable
4a97H-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.
1xmx HYPOTHETICAL PROTEIN
VC1899


(Vibrio cholerae)
PF09002
(DUF1887)
4 PHE A 106
TYR A 109
VAL A  87
ILE A   3
None
0.96A 4a97H-1xmxA:
undetectable
4a97H-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.
1yf8 BETA-GALACTOSIDE-SPE
CIFIC LECTIN 4


(Viscum album)
PF00161
(RIP)
4 PHE A 208
VAL A 200
ILE A  37
ASN A  35
None
1.10A 4a97H-1yf8A:
undetectable
4a97H-1yf8A:
19.93
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.
2eaa 7S GLOBULIN-3

(Vigna angularis)
PF00190
(Cupin_1)
4 PHE A  47
TYR A  60
VAL A  62
ILE A 134
None
0.86A 4a97H-2eaaA:
undetectable
4a97H-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.
2eo4 150AA LONG
HYPOTHETICAL
HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN


(Sulfurisphaera
tokodaii)
PF01230
(HIT)
4 PHE A 111
TYR A 107
VAL A  73
ILE A  69
None
1.05A 4a97H-2eo4A:
undetectable
4a97H-2eo4A:
16.94
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.
2f6h MYOSIN-2

(Saccharomyces
cerevisiae)
PF01843
(DIL)
4 PHE X 168
TYR X 129
VAL X 125
ILE X 175
None
1.07A 4a97H-2f6hX:
undetectable
4a97H-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
0.95A 4a97H-2fk7A:
undetectable
4a97H-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.
2gks BIFUNCTIONAL SAT/APS
KINASE


(Aquifex
aeolicus)
PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2)
4 PHE A 471
VAL A 462
ILE A 430
GLU A 517
None
1.12A 4a97H-2gksA:
undetectable
4a97H-2gksA:
19.92
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.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE


(Leptospira
interrogans)
PF01596
(Methyltransf_3)
4 PHE A 152
VAL A 225
ILE A 221
GLU A  66
None
None
None
SAH  A2001 ( 4.2A)
1.13A 4a97H-2hnkA:
undetectable
4a97H-2hnkA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ija ARYLAMINE
N-ACETYLTRANSFERASE
1


(Homo sapiens)
PF00797
(Acetyltransf_2)
4 TYR A  94
VAL A  93
ILE A 106
GLU A 182
UNX  A 502 (-4.3A)
None
None
None
1.08A 4a97H-2ijaA:
undetectable
4a97H-2ijaA:
24.79
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.
2qn0 NEUROTOXIN

(Clostridium
botulinum)
PF01742
(Peptidase_M27)
4 TYR A 202
VAL A 379
ILE A 256
GLU A 360
None
0.97A 4a97H-2qn0A:
undetectable
4a97H-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 4a97H-2uutA:
undetectable
4a97H-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
1.04A 4a97H-2v8pA:
undetectable
4a97H-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
1.04A 4a97H-2yjgA:
undetectable
4a97H-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.
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
1.10A 4a97H-2zsgA:
undetectable
4a97H-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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE


(Bifidobacterium
breve)
PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N)
4 PHE A 504
TYR A 501
ASN A 549
GLU A 479
None
1.12A 4a97H-3ahiA:
undetectable
4a97H-3ahiA:
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.
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
0.83A 4a97H-3bm3A:
1.3
4a97H-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.
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
1.05A 4a97H-3eeiA:
undetectable
4a97H-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 4a97H-3ejgA:
undetectable
4a97H-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.
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 4a97H-3ewrA:
undetectable
4a97H-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.
3ffh HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Listeria
innocua)
PF00155
(Aminotran_1_2)
4 TYR A 233
VAL A  90
ILE A  94
GLU A 195
None
SO4  A 361 (-3.5A)
None
None
1.13A 4a97H-3ffhA:
undetectable
4a97H-3ffhA:
23.56
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.
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
1.09A 4a97H-3ihpA:
undetectable
4a97H-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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF4


(Schizosaccharomyces
pombe)
PF02184
(HAT)
4 TYR R 194
VAL R 198
ASN R 206
GLU R 214
None
1.11A 4a97H-3jb9R:
undetectable
4a97H-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.
3k2n SIGMA-54-DEPENDENT
TRANSCRIPTIONAL
REGULATOR


(Chlorobaculum
tepidum)
PF13185
(GAF_2)
4 PHE A  59
VAL A 135
ILE A 117
GLU A  60
None
1.10A 4a97H-3k2nA:
undetectable
4a97H-3k2nA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4a97H-3kq0A:
undetectable
4a97H-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
0.89A 4a97H-3ltfD:
undetectable
4a97H-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.
3muq UNCHARACTERIZED
CONSERVED PROTEIN


(Vibrio
parahaemolyticus)
PF12849
(PBP_like_2)
4 PHE A  91
TYR A  96
VAL A 225
ILE A 233
None
1.13A 4a97H-3muqA:
undetectable
4a97H-3muqA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nua PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE


(Clostridium
perfringens)
PF01259
(SAICAR_synt)
4 TYR A 226
VAL A 229
ILE A 172
GLU A 193
None
1.14A 4a97H-3nuaA:
undetectable
4a97H-3nuaA:
21.34
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.
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
1.01A 4a97H-3pcoB:
undetectable
4a97H-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.
3pm0 CYTOCHROME P450 1B1

(Homo sapiens)
PF00067
(p450)
4 TYR A 214
VAL A 199
ARG A 213
ASN A 203
None
1.12A 4a97H-3pm0A:
undetectable
4a97H-3pm0A:
20.39
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.
3r0h INACTIVATION-NO-AFTE
R-POTENTIAL D
PROTEIN


(Drosophila
melanogaster)
PF00595
(PDZ)
4 PHE A 583
VAL A 585
ILE A 619
GLU A 581
None
1.09A 4a97H-3r0hA:
undetectable
4a97H-3r0hA:
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.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
4 TYR A  59
VAL A  75
ILE A  64
GLU A  35
None
1.09A 4a97H-3u7sA:
undetectable
4a97H-3u7sA:
14.33
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4


(Thermotoga
neapolitana)
PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C)
4 VAL A 162
ILE A 165
ASN A 160
GLU A 344
None
None
MN  A 601 ( 4.8A)
None
1.08A 4a97H-3u95A:
undetectable
4a97H-3u95A:
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.
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
1.03A 4a97H-3v9eA:
undetectable
4a97H-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
0.93A 4a97H-3vtzA:
undetectable
4a97H-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.
3w08 ALDOXIME DEHYDRATASE

(Pseudomonas
chlororaphis)
PF13816
(Dehydratase_hem)
4 TYR A 278
VAL A 276
ASN A 266
GLU A 321
None
1.14A 4a97H-3w08A:
undetectable
4a97H-3w08A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
0.91A 4a97H-3wiqA:
0.1
4a97H-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)
1.11A 4a97H-3wr7A:
undetectable
4a97H-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
1.09A 4a97H-3zq4A:
undetectable
4a97H-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
0.94A 4a97H-4ae0A:
undetectable
4a97H-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.
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)
1.00A 4a97H-4c8qH:
undetectable
4a97H-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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN


(Bacillus
licheniformis)
PF01839
(FG-GAP)
4 PHE A 193
VAL A 279
ARG A 555
GLU A 200
None
None
None
CA  A 605 (-2.0A)
1.13A 4a97H-4cagA:
undetectable
4a97H-4cagA:
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.
4crn ERF1 IN
RIBOSOME-BOUND
ERF1-ERF3-GDPNP
COMPLEX


(Saccharomyces
cerevisiae)
PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3)
4 TYR X 277
VAL X   5
ILE X 387
ASN X   8
None
1.14A 4a97H-4crnX:
undetectable
4a97H-4crnX:
19.38
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.
4db3 N-ACETYL-D-GLUCOSAMI
NE KINASE


(Vibrio
vulnificus)
PF00480
(ROK)
4 VAL A 226
ILE A 211
ASN A 215
GLU A 263
None
1.05A 4a97H-4db3A:
undetectable
4a97H-4db3A:
22.44
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.
4dpy MEVALONATE
DIPHOSPHATE
DECARBOXYLASE


(Staphylococcus
epidermidis)
PF00288
(GHMP_kinases_N)
4 TYR A 279
VAL A 290
ILE A 179
GLU A 269
None
0.95A 4a97H-4dpyA:
undetectable
4a97H-4dpyA:
21.45
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.
4eg9 UNCHARACTERIZED
PROTEIN
SAOUHSC_02783


(Staphylococcus
aureus)
PF04507
(DUF576)
4 VAL A  95
ILE A  75
ASN A  77
GLU A 126
None
0.63A 4a97H-4eg9A:
undetectable
4a97H-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.
4h0p ACETATE KINASE

(Cryptococcus
neoformans)
PF00871
(Acetate_kinase)
4 PHE A 162
TYR A 196
VAL A 200
ILE A 214
None
1.13A 4a97H-4h0pA:
undetectable
4a97H-4h0pA:
20.40
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.
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
0.92A 4a97H-4hpfA:
undetectable
4a97H-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.
4i8v CYTOCHROME P450 1A1

(Homo sapiens)
PF00067
(p450)
4 TYR A 207
VAL A 192
ARG A 206
ASN A 196
None
1.13A 4a97H-4i8vA:
undetectable
4a97H-4i8vA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8v CYTOCHROME P450 1A1

(Homo sapiens)
PF00067
(p450)
4 VAL A 192
ARG A 206
ASN A 196
GLU A 213
None
1.08A 4a97H-4i8vA:
undetectable
4a97H-4i8vA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j1y COMPLEMENT C1S
SUBCOMPONENT


(Homo sapiens)
PF00084
(Sushi)
PF00089
(Trypsin)
4 TYR A 468
ILE A 465
ASN A 466
GLU A 506
None
1.14A 4a97H-4j1yA:
undetectable
4a97H-4j1yA:
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.
4jkx BETA-GALACTOSIDE-SPE
CIFIC LECTIN 1 A
CHAIN


(Viscum album)
PF00161
(RIP)
4 PHE A 214
VAL A 206
ILE A  37
ASN A  35
None
1.14A 4a97H-4jkxA:
undetectable
4a97H-4jkxA:
21.60
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.
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
1.14A 4a97H-4my5A:
undetectable
4a97H-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
0.96A 4a97H-4p27A:
undetectable
4a97H-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.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524)
PF08787
(Alginate_lyase2)
4 PHE A 239
TYR A 395
VAL A 393
ILE A 175
None
1.03A 4a97H-4q8kA:
undetectable
4a97H-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
1.01A 4a97H-4q8lA:
undetectable
4a97H-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)
1.07A 4a97H-4qniA:
undetectable
4a97H-4qniA:
20.45
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
TYR A  38
VAL A  40
ARG A  91
ILE A 101
None
0.46A 4a97H-4twfA:
33.9
4a97H-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 PHE A  19
VAL A  40
ARG A  91
ASN A 103
None
0.97A 4a97H-4twfA:
33.9
4a97H-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.
4upi SULFATASE FAMILY
PROTEIN


(Ruegeria
pomeroyi)
PF00884
(Sulfatase)
4 TYR A 332
ARG A  16
ILE A 291
GLU A 261
None
1.00A 4a97H-4upiA:
undetectable
4a97H-4upiA:
21.27
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
0.56A 4a97H-4yeuA:
29.4
4a97H-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
1.11A 4a97H-4z81A:
undetectable
4a97H-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
1.04A 4a97H-5aeeA:
undetectable
4a97H-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.
5e9o CELLULASE, GLYCOSYL
HYDROLASE FAMILY 5,
TPS LINKER, DOMAIN X


(Spirochaeta
thermophila)
no annotation 4 TYR A 526
ILE A 517
ASN A 503
GLU A 461
None
1.10A 4a97H-5e9oA:
undetectable
4a97H-5e9oA:
14.19
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.
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
0.98A 4a97H-5flzB:
1.3
4a97H-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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)


(Parageobacillus
thermoglucosidasius)
PF00171
(Aldedh)
4 PHE A 359
VAL A 309
ILE A 337
GLU A 350
None
1.09A 4a97H-5j78A:
undetectable
4a97H-5j78A:
19.49
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.
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
1.10A 4a97H-5jb3Z:
undetectable
4a97H-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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA


(Mus musculus)
PF01532
(Glyco_hydro_47)
4 PHE A 479
VAL A 410
ILE A 446
GLU A 552
None
None
None
LA  A 711 ( 4.6A)
1.15A 4a97H-5kkbA:
undetectable
4a97H-5kkbA:
18.49
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.
5lmg DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1


(Saccharomyces
cerevisiae)
PF09770
(PAT1)
4 PHE A 681
VAL A 727
ILE A 724
GLU A 701
None
None
None
EDO  A 804 (-2.9A)
1.07A 4a97H-5lmgA:
0.8
4a97H-5lmgA:
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.
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
1.10A 4a97H-5lw7B:
undetectable
4a97H-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
0.66A 4a97H-5mc5A:
undetectable
4a97H-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.
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
1.04A 4a97H-5n0lA:
undetectable
4a97H-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.
5tcb PELA

(Pseudomonas
aeruginosa)
PF03537
(Glyco_hydro_114)
4 PHE A 202
VAL A 217
ILE A 220
GLU A 203
None
1.09A 4a97H-5tcbA:
undetectable
4a97H-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.
5te1 ATP-CITRATE SYNTHASE

(Homo sapiens)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
PF16114
(Citrate_bind)
4 PHE A 493
VAL A 568
ILE A 591
GLU A 683
None
1.07A 4a97H-5te1A:
undetectable
4a97H-5te1A:
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.
5tet ATP-CITRATE SYNTHASE

(Homo sapiens)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
4 PHE B 493
VAL B 568
ILE B 591
GLU B 683
None
1.08A 4a97H-5tetB:
undetectable
4a97H-5tetB:
19.24
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.
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)
0.95A 4a97H-5uwbB:
undetectable
4a97H-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
1.02A 4a97H-5yfbA:
0.6
4a97H-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.
6caa ELECTROGENIC SODIUM
BICARBONATE
COTRANSPORTER 1


(Homo sapiens)
no annotation 4 PHE A 865
TYR A 862
VAL A 864
ILE A 692
None
1.09A 4a97H-6caaA:
0.7
4a97H-6caaA:
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
1.02A 4a97H-6d46A:
undetectable
4a97H-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.
6deg BETA SLIDING CLAMP

(Bartonella
birtlesii)
no annotation 4 PHE A  57
VAL A   5
ILE A  87
GLU A  55
None
1.14A 4a97H-6degA:
undetectable
4a97H-6degA:
13.36
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.
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
1.08A 4a97H-6f36N:
undetectable
4a97H-6f36N:
14.71