SIMILAR PATTERNS OF AMINO ACIDS FOR 3KP2_A_PNNA5001

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.
1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE

(Homo sapiens) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 GLN A 100
SER A  49
ARG A  46
ASN A 239
 None
None
None
NDP  A 302 ( 4.2A)
 1.03A 3kp2A-1a4iA:
0.0
3kp2B-1a4iA:
0.0		 3kp2A-1a4iA:
17.82
3kp2B-1a4iA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1axd GLUTATHIONE
S-TRANSFERASE I

(Zea mays) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ASN A 111
THR A 107
SER A 170
ARG A  16
 None
 1.03A 3kp2A-1axdA:
undetectable
3kp2B-1axdA:
0.0		 3kp2A-1axdA:
24.48
3kp2B-1axdA:
24.48
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.
1cwu ENOYL ACP REDUCTASE

(Brassica napus) 		PF13561
(adh_short_C2) 		4 THR A 150
LEU A 147
SER A 203
ASN A 139
 None
 1.00A 3kp2A-1cwuA:
0.0
3kp2B-1cwuA:
0.0		 3kp2A-1cwuA:
21.32
3kp2B-1cwuA:
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 THR A 225
GLN A 712
SER A 642
ASN A 192
 MGD  A1002 ( 4.6A)
None
MGD  A1002 (-4.2A)
None
 1.12A 3kp2A-1eu1A:
0.0
3kp2B-1eu1A:
0.0		 3kp2A-1eu1A:
13.81
3kp2B-1eu1A:
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.
1fch PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF13374
(TPR_10)
PF13432
(TPR_16) 		4 ASN A 378
THR A 377
LEU A 463
ASN A 524
 None
 1.16A 3kp2A-1fchA:
0.1
3kp2B-1fchA:
undetectable		 3kp2A-1fchA:
17.03
3kp2B-1fchA:
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.
1fio SSO1 PROTEIN

(Saccharomyces
cerevisiae) 		PF00804
(Syntaxin) 		4 ASN A  69
LEU A  64
HIS A  75
ARG A  77
 None
None
ZN  A 502 (-3.2A)
None
 1.06A 3kp2A-1fioA:
2.0
3kp2B-1fioA:
1.6		 3kp2A-1fioA:
26.94
3kp2B-1fioA:
26.94
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.
1fiu TYPE II RESTRICTION
ENZYME NGOMI

(Neisseria
gonorrhoeae) 		PF09015
(NgoMIV_restric) 		4 ASN A 146
THR A 144
LEU A 180
GLN A 110
 None
 1.04A 3kp2A-1fiuA:
0.0
3kp2B-1fiuA:
0.0		 3kp2A-1fiuA:
22.06
3kp2B-1fiuA:
22.06
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ASN A 246
THR A 249
LEU A 253
HIS A 328
 None
 0.66A 3kp2A-1h0hA:
0.0
3kp2B-1h0hA:
0.0		 3kp2A-1h0hA:
10.46
3kp2B-1h0hA:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i49 ARFAPTIN 2

(Homo sapiens) 		PF06456
(Arfaptin) 		4 ASN A  89
THR A  92
LEU A  96
GLN A  65
 None
 1.02A 3kp2A-1i49A:
0.9
3kp2B-1i49A:
undetectable		 3kp2A-1i49A:
23.11
3kp2B-1i49A:
23.11
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.
1nhw ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 THR A 229
LEU A 226
SER A 282
ASN A 218
 None
None
None
NAD  A 450 (-4.1A)
 1.03A 3kp2A-1nhwA:
0.0
3kp2B-1nhwA:
undetectable		 3kp2A-1nhwA:
22.12
3kp2B-1nhwA:
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ASN A 358
LEU A 364
SER A 342
ASN A 349
 None
 1.09A 3kp2A-1ogyA:
0.0
3kp2B-1ogyA:
0.0		 3kp2A-1ogyA:
10.70
3kp2B-1ogyA:
10.70
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.
1pxy FIMBRIN-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF00307
(CH) 		4 LEU A 149
GLN A 155
SER A 153
HIS A 152
 None
 1.09A 3kp2A-1pxyA:
undetectable
3kp2B-1pxyA:
undetectable		 3kp2A-1pxyA:
16.44
3kp2B-1pxyA:
16.44
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.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		4 THR A 325
LEU A 326
GLN A 278
ASN A 265
 None
 1.02A 3kp2A-1rkxA:
undetectable
3kp2B-1rkxA:
0.0		 3kp2A-1rkxA:
17.55
3kp2B-1rkxA:
17.55
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.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE

(Aquifex
aeolicus) 		PF02446
(Glyco_hydro_77) 		4 ASN A 445
GLN A 436
SER A 382
ASN A 395
 None
 0.77A 3kp2A-1tz7A:
undetectable
3kp2B-1tz7A:
2.0		 3kp2A-1tz7A:
16.47
3kp2B-1tz7A:
16.47
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.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		4 LEU A  36
GLN A  22
SER A  20
HIS A 125
 None
None
None
NLC  A1320 (-4.5A)
 1.11A 3kp2A-1w3fA:
undetectable
3kp2B-1w3fA:
undetectable		 3kp2A-1w3fA:
19.11
3kp2B-1w3fA:
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.
2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		4 ASN A 151
THR A 152
SER A  37
ARG A  33
 None
 1.10A 3kp2A-2bv8A:
undetectable
3kp2B-2bv8A:
undetectable		 3kp2A-2bv8A:
25.41
3kp2B-2bv8A:
25.41
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.
2c0l PEROXISOMAL
TARGETING SIGNAL 1
RECEPTOR

(Homo sapiens) 		PF00515
(TPR_1)
PF13432
(TPR_16) 		4 ASN A 415
THR A 414
LEU A 500
ASN A 561
 None
 1.13A 3kp2A-2c0lA:
undetectable
3kp2B-2c0lA:
undetectable		 3kp2A-2c0lA:
16.33
3kp2B-2c0lA:
16.33
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 LEU A 311
GLN A 222
SER A 508
ASN A  92
 None
 1.05A 3kp2A-2cfzA:
undetectable
3kp2B-2cfzA:
undetectable		 3kp2A-2cfzA:
12.16
3kp2B-2cfzA:
12.16
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.
2foi ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 THR A 229
LEU A 226
SER A 282
ASN A 218
 None
None
None
NAD  A 450 (-4.1A)
 1.07A 3kp2A-2foiA:
undetectable
3kp2B-2foiA:
undetectable		 3kp2A-2foiA:
19.70
3kp2B-2foiA:
19.70
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.
2gwg 4-OXALOMESACONATE
HYDRATASE

(Rhodopseudomonas
palustris) 		PF04909
(Amidohydro_2) 		4 THR A  66
SER A 283
HIS A   6
ASN A 141
 None
None
ZN  A 401 (-3.4A)
None
 1.01A 3kp2A-2gwgA:
undetectable
3kp2B-2gwgA:
undetectable		 3kp2A-2gwgA:
18.95
3kp2B-2gwgA:
18.95
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.
2i6x HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Porphyromonas
gingivalis) 		PF13419
(HAD_2) 		4 ASN A 176
THR A 179
LEU A 183
ASN A 109
 None
 1.04A 3kp2A-2i6xA:
undetectable
3kp2B-2i6xA:
undetectable		 3kp2A-2i6xA:
23.39
3kp2B-2i6xA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i7p PANTOTHENATE KINASE
3

(Homo sapiens) 		PF03630
(Fumble) 		4 ASN A 322
LEU A 235
SER A 330
ASN A 189
 ACO  A1604 (-4.2A)
None
None
ACO  A1604 ( 4.9A)
 1.16A 3kp2A-2i7pA:
undetectable
3kp2B-2i7pA:
undetectable		 3kp2A-2i7pA:
17.24
3kp2B-2i7pA:
17.24
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.
2jf4 PERIPLASMIC
TREHALASE

(Escherichia
coli) 		PF01204
(Trehalase) 		4 ASN A 522
THR A 525
LEU A 529
HIS A 118
 None
 0.94A 3kp2A-2jf4A:
undetectable
3kp2B-2jf4A:
undetectable		 3kp2A-2jf4A:
14.82
3kp2B-2jf4A:
14.82
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.
2l42 DNA-BINDING PROTEIN
RAP1

(Saccharomyces
cerevisiae) 		PF16589
(BRCT_2) 		4 ASN A  64
THR A  66
LEU A  68
ASN A  87
 None
 1.12A 3kp2A-2l42A:
undetectable
3kp2B-2l42A:
undetectable		 3kp2A-2l42A:
19.48
3kp2B-2l42A:
19.48
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.
2nya PERIPLASMIC NITRATE
REDUCTASE

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ASN A 348
LEU A 354
SER A 332
ASN A 339
 None
 1.12A 3kp2A-2nyaA:
undetectable
3kp2B-2nyaA:
undetectable		 3kp2A-2nyaA:
10.39
3kp2B-2nyaA:
10.39
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.
2p10 MLL9387 PROTEIN

(Mesorhizobium
japonicum) 		PF09370
(PEP_hydrolase) 		4 ASN A 126
THR A 129
LEU A  70
SER A  56
 None
None
ACT  A 286 (-3.7A)
None
 1.11A 3kp2A-2p10A:
undetectable
3kp2B-2p10A:
undetectable		 3kp2A-2p10A:
19.30
3kp2B-2p10A:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rd9 BH0186 PROTEIN

(Bacillus
halodurans) 		PF12867
(DinB_2) 		4 ASN A 104
THR A 107
LEU A 111
ARG A  62
 None
 1.04A 3kp2A-2rd9A:
undetectable
3kp2B-2rd9A:
undetectable		 3kp2A-2rd9A:
20.92
3kp2B-2rd9A:
20.92
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.
2v26 MYOSIN VI

(Sus scrofa) 		PF00063
(Myosin_head) 		4 THR A 369
LEU A 372
GLN A 383
ARG A 387
 None
 1.14A 3kp2A-2v26A:
undetectable
3kp2B-2v26A:
undetectable		 3kp2A-2v26A:
11.73
3kp2B-2v26A:
11.73
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.
2y3c TREPONEMA DENTICOLA
VARIABLE PROTEIN 1

(Treponema
denticola) 		PF03781
(FGE-sulfatase) 		4 THR A 240
GLN A 104
SER A 116
HIS A 117
 None
None
None
ACT  A1334 ( 4.5A)
 1.03A 3kp2A-2y3cA:
undetectable
3kp2B-2y3cA:
undetectable		 3kp2A-2y3cA:
18.97
3kp2B-2y3cA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3am3 ENOYL-ACP REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 THR A 229
LEU A 226
SER A 282
ASN A 218
 None
None
None
NAD  A 801 (-3.9A)
 1.10A 3kp2A-3am3A:
undetectable
3kp2B-3am3A:
undetectable		 3kp2A-3am3A:
20.26
3kp2B-3am3A:
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.
3bma D-ALANYL-LIPOTEICHOI
C ACID SYNTHETASE

(Streptococcus
pneumoniae) 		PF04914
(DltD) 		4 ASN A 232
THR A  50
GLN A  59
SER A 226
 None
GOL  A 436 (-3.8A)
None
None
 1.09A 3kp2A-3bmaA:
undetectable
3kp2B-3bmaA:
undetectable		 3kp2A-3bmaA:
16.75
3kp2B-3bmaA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ASN A  48
LEU A 149
SER A 147
ARG A 119
 None
 1.10A 3kp2A-3cmgA:
undetectable
3kp2B-3cmgA:
undetectable		 3kp2A-3cmgA:
13.43
3kp2B-3cmgA:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4b ENOYL-ACYL CARRIER
PROTEIN REDUCTASE

(Plasmodium
berghei) 		PF13561
(adh_short_C2) 		4 THR A 214
LEU A 211
SER A 267
ASN A 203
 None
None
None
NAD  A 450 (-4.0A)
 1.07A 3kp2A-3f4bA:
undetectable
3kp2B-3f4bA:
undetectable		 3kp2A-3f4bA:
18.83
3kp2B-3f4bA:
18.83
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.
3fef PUTATIVE GLUCOSIDASE
LPLD,
ALPHA-GALACTURONIDAS
E

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ASN A 209
THR A 212
HIS A 276
ASN A 151
 MG  A   1 ( 4.2A)
None
None
MG  A   1 ( 4.3A)
 1.03A 3kp2A-3fefA:
undetectable
3kp2B-3fefA:
undetectable		 3kp2A-3fefA:
15.71
3kp2B-3fefA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		4 ASN A 151
GLN A 172
ARG A 171
ASN A 111
 None
 0.99A 3kp2A-3gzaA:
undetectable
3kp2B-3gzaA:
undetectable		 3kp2A-3gzaA:
18.48
3kp2B-3gzaA:
18.48
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.
3h1n PROBABLE GLUTATHIONE
S-TRANSFERASE

(Bordetella
bronchiseptica) 		PF14497
(GST_C_3) 		4 LEU A  72
GLN A  96
SER A 168
HIS A 171
 None
 1.01A 3kp2A-3h1nA:
undetectable
3kp2B-3h1nA:
undetectable		 3kp2A-3h1nA:
20.00
3kp2B-3h1nA:
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.
3h90 FERROUS-IRON EFFLUX
PUMP FIEF

(Escherichia
coli) 		PF01545
(Cation_efflux)
PF16916
(ZT_dimer) 		4 THR A 128
LEU A 131
GLN A 135
HIS A 153
 None
None
None
ZN  A   4 (-3.5A)
 1.11A 3kp2A-3h90A:
undetectable
3kp2B-3h90A:
undetectable		 3kp2A-3h90A:
18.25
3kp2B-3h90A:
18.25
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.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 4 THR A 187
LEU A 190
GLN A 194
ASN A 338
 None
 1.05A 3kp2A-3hj4A:
undetectable
3kp2B-3hj4A:
1.4		 3kp2A-3hj4A:
16.44
3kp2B-3hj4A:
16.44
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.
3km2 SUPEROXIDE DISMUTASE
[CU-ZN],
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00080
(Sod_Cu) 		4 ASN A 110
LEU A 106
GLN A  23
ASN A  67
 None
 1.05A 3kp2A-3km2A:
undetectable
3kp2B-3km2A:
undetectable		 3kp2A-3km2A:
20.24
3kp2B-3km2A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvs C-PHYCOCYANIN ALPHA
CHAIN

(Galdieria
sulphuraria) 		PF00502
(Phycobilisome) 		4 ASN A 151
THR A 152
SER A  37
ARG A  33
 None
None
None
BLA  B 555 (-3.4A)
 1.11A 3kp2A-3kvsA:
undetectable
3kp2B-3kvsA:
1.8		 3kp2A-3kvsA:
21.26
3kp2B-3kvsA:
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.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		4 ASN A 103
THR A 101
LEU A  73
HIS A  80
 None
 1.16A 3kp2A-3l6dA:
undetectable
3kp2B-3l6dA:
undetectable		 3kp2A-3l6dA:
19.93
3kp2B-3l6dA:
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 4 THR A 479
GLN A 155
SER A 346
ARG A 268
 None
FAD  A 601 ( 4.1A)
None
None
 1.16A 3kp2A-3nlcA:
undetectable
3kp2B-3nlcA:
undetectable		 3kp2A-3nlcA:
15.12
3kp2B-3nlcA:
15.12
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ASN A 358
LEU A 364
SER A 342
ASN A 349
 None
FMT  A 804 (-4.1A)
None
None
 1.13A 3kp2A-3o5aA:
undetectable
3kp2B-3o5aA:
undetectable		 3kp2A-3o5aA:
9.85
3kp2B-3o5aA:
9.85
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.
3of6 PRE T-CELL ANTIGEN
RECEPTOR ALPHA

(Homo sapiens) 		PF15028
(PTCRA) 		4 ASN D  72
THR D  71
LEU D  34
SER D  12
 None
 1.14A 3kp2A-3of6D:
undetectable
3kp2B-3of6D:
undetectable		 3kp2A-3of6D:
21.17
3kp2B-3of6D:
21.17
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.
3p4e PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Vibrio cholerae) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 ASN A 193
SER A 246
HIS A 247
ARG A 259
 CIT  A 503 (-3.9A)
None
None
None
 1.07A 3kp2A-3p4eA:
undetectable
3kp2B-3p4eA:
undetectable		 3kp2A-3p4eA:
19.53
3kp2B-3p4eA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		4 THR A 657
LEU A 653
SER A 328
ASN A 316
 None
 1.13A 3kp2A-3pvcA:
undetectable
3kp2B-3pvcA:
undetectable		 3kp2A-3pvcA:
11.74
3kp2B-3pvcA:
11.74
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.
3q7z BETA-LACTAMASE
REGULATORY PROTEIN
BLAR1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		4 ASN A 388
THR A 390
HIS A 557
ASN A 537
 BOU  A 584 (-4.5A)
None
None
None
 1.07A 3kp2A-3q7zA:
undetectable
3kp2B-3q7zA:
undetectable		 3kp2A-3q7zA:
18.90
3kp2B-3q7zA:
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.
3sbu HYPOTHETICAL
NTF2-LIKE PROTEIN

(Bacteroides
fragilis) 		PF14254
(DUF4348) 		4 ASN A 236
THR A 115
LEU A 254
ASN A 243
 None
PEG  A 293 ( 4.4A)
MLY  A 255 ( 4.5A)
GOL  A 285 (-3.2A)
 1.10A 3kp2A-3sbuA:
undetectable
3kp2B-3sbuA:
undetectable		 3kp2A-3sbuA:
19.10
3kp2B-3sbuA:
19.10
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.
3skv SSFX3

(Streptomyces
sp. SF2575) 		PF13472
(Lipase_GDSL_2) 		4 THR A 112
LEU A 109
SER A 185
ARG A 186
 None
 1.12A 3kp2A-3skvA:
undetectable
3kp2B-3skvA:
undetectable		 3kp2A-3skvA:
16.84
3kp2B-3skvA:
16.84
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.
3ujz METALLOPROTEASE STCE

(Escherichia
coli) 		PF10462
(Peptidase_M66) 		4 LEU A  82
GLN A  65
SER A  88
ASN A 870
 None
 1.07A 3kp2A-3ujzA:
undetectable
3kp2B-3ujzA:
undetectable		 3kp2A-3ujzA:
10.81
3kp2B-3ujzA:
10.81
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.
3ved DYPB

(Rhodococcus
jostii) 		PF04261
(Dyp_perox) 		4 LEU A 216
GLN A 221
SER A 225
HIS A 226
 None
None
None
HEM  A 401 (-3.2A)
 1.07A 3kp2A-3vedA:
undetectable
3kp2B-3vedA:
undetectable		 3kp2A-3vedA:
18.53
3kp2B-3vedA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		4 LEU A 446
GLN A 449
SER A 418
ASN A 300
 None
None
None
B07  A 500 ( 4.2A)
 1.13A 3kp2A-3zvtA:
undetectable
3kp2B-3zvtA:
undetectable		 3kp2A-3zvtA:
16.15
3kp2B-3zvtA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		4 THR A 719
SER A 447
HIS A 450
ARG A 443
 None
 0.87A 3kp2A-4areA:
undetectable
3kp2B-4areA:
undetectable		 3kp2A-4areA:
12.18
3kp2B-4areA:
12.18
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.
4bj6 RAP1-INTERACTING
FACTOR 2

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A 343
THR A 346
GLN A 351
ASN A 377
 None
 1.02A 3kp2A-4bj6A:
undetectable
3kp2B-4bj6A:
undetectable		 3kp2A-4bj6A:
17.83
3kp2B-4bj6A:
17.83
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.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		4 THR A 338
LEU A 329
HIS A 325
ASN A 177
 None
 1.15A 3kp2A-4c41A:
undetectable
3kp2B-4c41A:
undetectable		 3kp2A-4c41A:
17.44
3kp2B-4c41A:
17.44
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.
4dcn ARFAPTIN-2

(Homo sapiens) 		PF06456
(Arfaptin) 		4 ASN C 185
THR C 188
LEU C 192
GLN C 161
 None
 1.11A 3kp2A-4dcnC:
undetectable
3kp2B-4dcnC:
1.2		 3kp2A-4dcnC:
24.76
3kp2B-4dcnC:
24.76
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.
4e4d TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
11, SOLUBLE FORM

(Mus musculus) 		PF00229
(TNF) 		4 ASN X 262
LEU X 237
HIS X 270
ASN X 266
 None
 1.16A 3kp2A-4e4dX:
undetectable
3kp2B-4e4dX:
undetectable		 3kp2A-4e4dX:
22.84
3kp2B-4e4dX:
22.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eju TRANSCRIPTIONAL
REGULATOR TCAR

(Staphylococcus
epidermidis) 		PF12802
(MarR_2) 		7 ASN A  20
THR A  23
LEU A  27
GLN A  31
SER A  41
HIS A  42
ARG A 110
 None
 0.27A 3kp2A-4ejuA:
20.8
3kp2B-4ejuA:
18.6		 3kp2A-4ejuA:
100.00
3kp2B-4ejuA:
100.00
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ASN A 944
THR A 947
LEU A 951
ARG A 567
 None
 0.65A 3kp2A-4f4cA:
undetectable
3kp2B-4f4cA:
undetectable		 3kp2A-4f4cA:
8.18
3kp2B-4f4cA:
8.18
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.
4h08 PUTATIVE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF00657
(Lipase_GDSL) 		5 ASN A 105
THR A 142
LEU A 161
HIS A 108
ASN A  76
 None
None
None
UNL  A 301 ( 3.8A)
None
 1.45A 3kp2A-4h08A:
undetectable
3kp2B-4h08A:
undetectable		 3kp2A-4h08A:
22.93
3kp2B-4h08A:
22.93
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.
4hl7 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Vibrio cholerae) 		PF04095
(NAPRTase) 		4 THR A 270
LEU A 271
SER A 247
HIS A 238
 None
 1.11A 3kp2A-4hl7A:
undetectable
3kp2B-4hl7A:
undetectable		 3kp2A-4hl7A:
17.99
3kp2B-4hl7A:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ijm CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		4 THR A  42
LEU A  36
SER A  32
HIS A 230
 None
None
None
ATP  A 804 (-3.3A)
 1.03A 3kp2A-4ijmA:
undetectable
3kp2B-4ijmA:
undetectable		 3kp2A-4ijmA:
16.84
3kp2B-4ijmA:
16.84
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.
4lt5 NAEGLERIA TET-LIKE
DIOXYGENASE

(Naegleria
gruberi) 		no annotation 4 THR A 189
LEU A 182
SER A 239
ASN A 275
 EDO  A 406 ( 4.5A)
None
None
None
 1.03A 3kp2A-4lt5A:
undetectable
3kp2B-4lt5A:
undetectable		 3kp2A-4lt5A:
19.38
3kp2B-4lt5A:
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.
4o0m CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		4 THR A  43
LEU A  37
SER A  33
HIS A 231
 None
 1.16A 3kp2A-4o0mA:
undetectable
3kp2B-4o0mA:
undetectable		 3kp2A-4o0mA:
15.42
3kp2B-4o0mA:
15.42
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.
4o1m ENOYL-ACYL CARRIER
REDUCTASE

(Toxoplasma
gondii) 		PF13561
(adh_short_C2) 		4 THR A 141
LEU A 138
SER A 194
ASN A 130
 None
 0.92A 3kp2A-4o1mA:
undetectable
3kp2B-4o1mA:
undetectable		 3kp2A-4o1mA:
19.56
3kp2B-4o1mA:
19.56
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.
4o1m ENOYL-ACYL CARRIER
REDUCTASE

(Toxoplasma
gondii) 		PF13561
(adh_short_C2) 		4 THR A 141
LEU A 138
SER A 194
ASN A 152
 None
 1.11A 3kp2A-4o1mA:
undetectable
3kp2B-4o1mA:
undetectable		 3kp2A-4o1mA:
19.56
3kp2B-4o1mA:
19.56
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.
4o2z MITOGEN-ACTIVATED
PROTEIN KINASE 3,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		4 THR A 183
LEU A 189
GLN A 158
HIS A 151
 None
 0.87A 3kp2A-4o2zA:
undetectable
3kp2B-4o2zA:
undetectable		 3kp2A-4o2zA:
18.79
3kp2B-4o2zA:
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.
4oby ARGININE--TRNA
LIGASE

(Escherichia
coli) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 ASN A 239
THR A 242
LEU A 246
HIS A 132
 None
None
None
ARG  A 601 (-4.0A)
 0.86A 3kp2A-4obyA:
undetectable
3kp2B-4obyA:
undetectable		 3kp2A-4obyA:
14.36
3kp2B-4obyA:
14.36
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		4 THR A 185
LEU A 188
SER A 296
HIS A 295
 None
 0.82A 3kp2A-4oc9A:
1.6
3kp2B-4oc9A:
undetectable		 3kp2A-4oc9A:
17.26
3kp2B-4oc9A:
17.26
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.
4omb PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		4 THR A  50
LEU A 269
ARG A 267
ASN A 182
 PO4  A 401 (-3.4A)
None
PO4  A 401 ( 4.9A)
None
 1.01A 3kp2A-4ombA:
undetectable
3kp2B-4ombA:
undetectable		 3kp2A-4ombA:
18.93
3kp2B-4ombA:
18.93
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.
4tl9 CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Synechococcus
elongatus) 		PF06745
(ATPase) 		4 THR A  42
LEU A  36
SER A  32
HIS A 230
 None
 1.02A 3kp2A-4tl9A:
undetectable
3kp2B-4tl9A:
undetectable		 3kp2A-4tl9A:
21.83
3kp2B-4tl9A:
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.
4v2x ENDO-BETA-1,4-GLUCAN
ASE (CELLULASE B)

(Bacillus
halodurans) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 THR A 222
SER A 131
HIS A 128
ASN A  47
 None
 1.02A 3kp2A-4v2xA:
undetectable
3kp2B-4v2xA:
undetectable		 3kp2A-4v2xA:
12.56
3kp2B-4v2xA:
12.56
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.
4v33 POLYSACCHARIDE
DEACETYLASE-LIKE
PROTEIN

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		4 ASN A 197
THR A 183
LEU A 185
ARG A 189
 None
EDO  A1365 (-4.5A)
None
None
 1.10A 3kp2A-4v33A:
undetectable
3kp2B-4v33A:
undetectable		 3kp2A-4v33A:
17.36
3kp2B-4v33A:
17.36
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.
5ajh CUTINASE

(Fusarium
oxysporum) 		PF01083
(Cutinase) 		4 ASN A  48
LEU A 126
HIS A 102
ASN A  22
 None
None
None
MPD  A1219 (-3.6A)
 1.13A 3kp2A-5ajhA:
undetectable
3kp2B-5ajhA:
undetectable		 3kp2A-5ajhA:
20.45
3kp2B-5ajhA:
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.
5avm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 THR A  59
LEU A  91
GLN A  94
HIS A 243
ASN A 188
 None
 1.49A 3kp2A-5avmA:
undetectable
3kp2B-5avmA:
undetectable		 3kp2A-5avmA:
20.00
3kp2B-5avmA:
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.
5bn4 NEQ263

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab) 		4 LEU B 125
GLN B 128
SER B 325
HIS B 122
 None
 1.13A 3kp2A-5bn4B:
undetectable
3kp2B-5bn4B:
undetectable		 3kp2A-5bn4B:
18.14
3kp2B-5bn4B:
18.14
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.
5bpt MGC81278 PROTEIN

(Xenopus laevis) 		PF12894
(ANAPC4_WD40)
PF12896
(ANAPC4) 		4 ASN A 605
LEU A 609
SER A 666
ARG A 696
 None
 1.16A 3kp2A-5bptA:
1.6
3kp2B-5bptA:
1.2		 3kp2A-5bptA:
13.70
3kp2B-5bptA:
13.70
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.
5e0c CELLULASE

(Bacillus sp.
BG-CS10) 		PF00150
(Cellulase)
PF03442
(CBM_X2) 		4 THR A 197
SER A 106
HIS A 103
ASN A  22
 None
 1.03A 3kp2A-5e0cA:
undetectable
3kp2B-5e0cA:
undetectable		 3kp2A-5e0cA:
14.93
3kp2B-5e0cA:
14.93
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.
5g2x GROUP II
INTRON-ENCODED
PROTEIN LTRA

(Lactococcus
lactis) 		PF00078
(RVT_1)
PF01348
(Intron_maturas2) 		4 THR C 466
SER C 423
ARG C 422
ASN C 433
 None
 1.12A 3kp2A-5g2xC:
undetectable
3kp2B-5g2xC:
undetectable		 3kp2A-5g2xC:
14.05
3kp2B-5g2xC:
14.05
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.
5gtj DUAL SPECIFICITY
PROTEIN PHOSPHATASE
26

(Homo sapiens) 		PF00782
(DSPc) 		4 SER A 159
HIS A 151
ARG A 158
ASN A  78
 PO4  A 301 ( 4.1A)
None
PO4  A 301 (-4.0A)
None
 1.12A 3kp2A-5gtjA:
undetectable
3kp2B-5gtjA:
undetectable		 3kp2A-5gtjA:
20.11
3kp2B-5gtjA:
20.11
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 THR A 324
SER A 482
HIS A 438
ASN A 357
 ADP  A1001 (-4.1A)
None
None
None
 1.08A 3kp2A-5jcfA:
4.1
3kp2B-5jcfA:
4.2		 3kp2A-5jcfA:
13.25
3kp2B-5jcfA:
13.25
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 THR A  55
LEU A  59
GLN A  89
HIS A  85
 None
 1.00A 3kp2A-5jo7A:
1.3
3kp2B-5jo7A:
1.2		 3kp2A-5jo7A:
15.74
3kp2B-5jo7A:
15.74
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASN A 513
THR A 509
GLN A 204
ASN A 519
 NAG  A 931 (-3.3A)
None
None
NAG  A 931 (-1.9A)
 0.93A 3kp2A-5ju6A:
undetectable
3kp2B-5ju6A:
undetectable		 3kp2A-5ju6A:
10.95
3kp2B-5ju6A:
10.95
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.
5jwr CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		4 THR A  43
LEU A  37
SER A  33
HIS A 231
 None
 1.03A 3kp2A-5jwrA:
undetectable
3kp2B-5jwrA:
undetectable		 3kp2A-5jwrA:
21.15
3kp2B-5jwrA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5knm CDNA FLJ39643 FIS,
CLONE SMINT2004023,
HIGHLY SIMILAR TO
HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHACHAIN
F

(Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 ASN A  70
THR A  73
HIS A 116
ASN A  99
 None
 1.11A 3kp2A-5knmA:
undetectable
3kp2B-5knmA:
undetectable		 3kp2A-5knmA:
20.07
3kp2B-5knmA:
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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		4 THR A 241
LEU A 261
GLN A 258
HIS A 303
 None
 1.08A 3kp2A-5l8vA:
undetectable
3kp2B-5l8vA:
undetectable		 3kp2A-5l8vA:
20.89
3kp2B-5l8vA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m09 SERINE/THREONINE-PRO
TEIN KINASE PKNI

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		4 ASN A 139
THR A 191
LEU A 188
HIS A 135
 None
 0.99A 3kp2A-5m09A:
undetectable
3kp2B-5m09A:
undetectable		 3kp2A-5m09A:
18.08
3kp2B-5m09A:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n0l GTP-SENSING
TRANSCRIPTIONAL
PLEIOTROPIC
REPRESSOR CODY

(Clostridioides
difficile) 		no annotation 4 ASN A  91
THR A 113
LEU A 129
SER A  39
 None
 1.13A 3kp2A-5n0lA:
undetectable
3kp2B-5n0lA:
undetectable		 3kp2A-5n0lA:
undetectable
3kp2B-5n0lA:
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.
5vol PUTATIVE ESTERASE

(Bacteroides
intestinalis) 		PF00756
(Esterase) 		4 ASN A 160
LEU A 223
SER A 166
HIS A 165
 None
None
None
IPA  A 304 (-3.7A)
 1.10A 3kp2A-5volA:
undetectable
3kp2B-5volA:
undetectable		 3kp2A-5volA:
18.37
3kp2B-5volA:
18.37
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ASN A 447
THR A 448
LEU A 451
ASN A 204
 None
 1.03A 3kp2A-5vywA:
undetectable
3kp2B-5vywA:
undetectable		 3kp2A-5vywA:
8.91
3kp2B-5vywA:
8.91
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.
5wu6 SPECKLE TARGETED
PIP5K1A-REGULATED
POLY(A) POLYMERASE

(Homo sapiens) 		PF00076
(RRM_1)
PF03828
(PAP_assoc) 		4 LEU A 547
GLN A 542
SER A 513
ARG A 515
 None
 1.07A 3kp2A-5wu6A:
undetectable
3kp2B-5wu6A:
undetectable		 3kp2A-5wu6A:
15.27
3kp2B-5wu6A:
15.27
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.
5y92 RECEPTOR-LIKE
PROTEIN KINASE
ANXUR2

(Arabidopsis
thaliana) 		no annotation 4 ASN A 410
THR A 139
LEU A 148
ARG A 150
 NAG  A 501 (-4.2A)
None
None
None
 1.12A 3kp2A-5y92A:
undetectable
3kp2B-5y92A:
undetectable		 3kp2A-5y92A:
undetectable
3kp2B-5y92A:
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.
5zrt -

(-) 		no annotation 4 ASN A  74
GLN A  44
SER A  40
ASN A  35
 None
 1.07A 3kp2A-5zrtA:
undetectable
3kp2B-5zrtA:
undetectable		 3kp2A-5zrtA:
undetectable
3kp2B-5zrtA:
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.
6aq7 POM6 FAB HEAVY CHAIN
POM6 FAB LIGHT CHAIN

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 ASN H  58
THR L  98
LEU L 100
SER H  98
 None
 0.70A 3kp2A-6aq7H:
undetectable
3kp2B-6aq7H:
undetectable		 3kp2A-6aq7H:
undetectable
3kp2B-6aq7H:
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.
6aq7 POM6 FAB HEAVY CHAIN
POM6 FAB LIGHT CHAIN

(Mus musculus;
Mus musculus) 		no annotation
no annotation 		4 THR L  98
LEU L 100
SER H  98
ASN H  56
 None
 1.14A 3kp2A-6aq7L:
undetectable
3kp2B-6aq7L:
undetectable		 3kp2A-6aq7L:
undetectable
3kp2B-6aq7L:
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.
6c0m HEMAGGLUTININ-NEURAM
INIDASE

(Human
respirovirus 3) 		no annotation 4 ASN A 208
THR A 193
SER A 257
ASN A 252
 None
8LM  A 610 ( 4.6A)
None
None
 1.07A 3kp2A-6c0mA:
undetectable
3kp2B-6c0mA:
undetectable		 3kp2A-6c0mA:
undetectable
3kp2B-6c0mA:
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 4 THR A2062
LEU A2020
SER A2023
ASN A2033
 None
 1.02A 3kp2A-6ez8A:
undetectable
3kp2B-6ez8A:
undetectable		 3kp2A-6ez8A:
undetectable
3kp2B-6ez8A:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A 630
LEU A 669
SER A 561
ASN A 648
 None
 1.03A 3kp2A-6f42A:
0.1
3kp2B-6f42A:
undetectable		 3kp2A-6f42A:
undetectable
3kp2B-6f42A:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 ASN A 902
THR A 905
LEU A 909
ARG A 542
 None
 0.92A 3kp2A-6fn1A:
1.2
3kp2B-6fn1A:
undetectable		 3kp2A-6fn1A:
undetectable
3kp2B-6fn1A:
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4

(Mus musculus) 		no annotation 4 ASN M 366
THR M 322
LEU M 444
SER M 372
 None
None
None
3PE  M 503 ( 4.3A)
 1.16A 3kp2A-6g2jM:
undetectable
3kp2B-6g2jM:
undetectable		 3kp2A-6g2jM:
undetectable
3kp2B-6g2jM:
undetectable