SIMILAR PATTERNS OF AMINO ACIDS FOR 5KR2_C_ROCC101_2

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.
1bou 4,5-DIOXYGENASE BETA
CHAIN


(Sphingomonas
paucimobilis)
PF02900
(LigB)
5 LEU B 133
ILE B 277
GLY B   7
PRO B  51
ILE B 136
None
1.00A 5kr2D-1bouB:
undetectable
5kr2D-1bouB:
13.95
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.
1d0b INTERNALIN B

(Listeria
monocytogenes)
PF12354
(Internalin_N)
PF12799
(LRR_4)
5 LEU A 110
ASN A 108
ILE A  82
VAL A  91
ILE A  88
None
1.05A 5kr2D-1d0bA:
undetectable
5kr2D-1d0bA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fxl PARANEOPLASTIC
ENCEPHALOMYELITIS
ANTIGEN HUD


(Homo sapiens)
PF00076
(RRM_1)
5 LEU A 186
GLY A 167
ILE A 156
VAL A 200
ILE A 198
None
1.01A 5kr2D-1fxlA:
undetectable
5kr2D-1fxlA:
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.
1h0b CELLULASE

(Rhodothermus
marinus)
PF01670
(Glyco_hydro_12)
5 LEU A   5
ASN A  23
GLY A 205
VAL A  36
ILE A  34
None
1.11A 5kr2D-1h0bA:
undetectable
5kr2D-1h0bA:
17.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 ARG A   8
LEU A  23
GLY A  51
PRO A  81
VAL A  82
A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
1.12A 5kr2D-1hvcA:
13.7
5kr2D-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
8 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
0.74A 5kr2D-1hvcA:
13.7
5kr2D-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
8 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
0.56A 5kr2D-1hvcA:
13.7
5kr2D-1hvcA:
44.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 LEU A  23
GLY A  48
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
0.82A 5kr2D-1hvcA:
13.7
5kr2D-1hvcA:
44.33
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.
1irx LYSYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF01921
(tRNA-synt_1f)
5 LEU A 301
GLY A 272
ILE A 273
VAL A 302
ILE A 305
None
1.14A 5kr2D-1irxA:
undetectable
5kr2D-1irxA:
10.12
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
5 LEU A 595
ILE A 525
GLY A 522
VAL A 537
ILE A 629
None
1.10A 5kr2D-1j0nA:
undetectable
5kr2D-1j0nA:
10.27
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB


(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
5 LEU A 541
ILE A 592
ILE A 628
VAL A 517
ILE A 642
None
1.16A 5kr2D-1ji6A:
undetectable
5kr2D-1ji6A:
10.59
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE


(Pyrococcus
horikoshii)
PF06026
(Rib_5-P_isom_A)
5 LEU A 161
ILE A 200
GLY A 202
ILE A 141
ILE A 180
None
1.11A 5kr2D-1lk5A:
undetectable
5kr2D-1lk5A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini)
PF02274
(Amidinotransf)
5 LEU A  65
GLY A  18
PRO A 402
VAL A  23
ILE A  70
None
1.13A 5kr2D-1lxyA:
undetectable
5kr2D-1lxyA:
13.24
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.
1m9s INTERNALIN B

(Listeria
monocytogenes)
PF08191
(LRR_adjacent)
PF09479
(Flg_new)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13457
(SH3_8)
5 LEU A 110
ASN A 108
ILE A  82
VAL A  91
ILE A  88
None
1.08A 5kr2D-1m9sA:
undetectable
5kr2D-1m9sA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE


(Arthrobacter
sp.)
PF00857
(Isochorismatase)
5 ARG A 196
LEU A 211
ILE A 186
ILE A 168
ILE A 214
None
1.10A 5kr2D-1nbaA:
undetectable
5kr2D-1nbaA:
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE


(Methylophilus
methylotrophus)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
5 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
1.04A 5kr2D-1o94A:
undetectable
5kr2D-1o94A:
10.14
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.
1oed ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN


(Torpedo
marmorata)
PF02932
(Neur_chan_memb)
5 LEU B 218
ILE B 287
ILE B 454
VAL B 222
ILE B 221
None
1.00A 5kr2D-1oedB:
undetectable
5kr2D-1oedB:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q90 APOCYTOCHROME F

(Chlamydomonas
reinhardtii)
PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N)
5 LEU A  83
ILE A 244
ILE A  76
VAL A 128
ILE A 130
None
1.12A 5kr2D-1q90A:
undetectable
5kr2D-1q90A:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus)
PF00077
(RVP)
6 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.71A 5kr2D-1sivA:
18.4
5kr2D-1sivA:
50.98
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS


(Escherichia
coli)
PF01614
(IclR)
5 LEU A 180
GLY A  46
ILE A  45
VAL A  16
ILE A 176
None
1.05A 5kr2D-1tf1A:
undetectable
5kr2D-1tf1A:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG


(Bacillus
subtilis)
PF05343
(Peptidase_M42)
5 LEU A 350
ILE A 305
GLY A 235
ILE A 317
ILE A 232
None
1.10A 5kr2D-1vheA:
undetectable
5kr2D-1vheA:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w1k VANILLYL-ALCOHOL
OXIDASE


(Penicillium
simplicissimum)
PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C)
5 LEU A 166
GLY A 178
ILE A 102
PRO A 169
VAL A 168
None
FAD  A1561 ( 3.8A)
FAD  A1561 (-3.7A)
FAD  A1561 (-4.7A)
None
1.10A 5kr2D-1w1kA:
undetectable
5kr2D-1w1kA:
11.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
5 LEU A 167
ILE A 182
GLY A 217
ILE A 227
VAL A 188
None
1.01A 5kr2D-1wn1A:
undetectable
5kr2D-1wn1A:
14.89
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE


(Salmonella
enterica)
PF04223
(CitF)
5 LEU A 460
ILE A 250
ILE A 258
VAL A 442
ILE A 440
None
1.09A 5kr2D-1xr4A:
undetectable
5kr2D-1xr4A:
12.40
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.
1ydx TYPE I RESTRICTION
ENZYME SPECIFICITY
PROTEIN MG438


(Mycoplasma
genitalium)
PF01420
(Methylase_S)
5 ASN A 284
ILE A 204
GLY A 207
VAL A 289
ILE A 287
None
1.16A 5kr2D-1ydxA:
undetectable
5kr2D-1ydxA:
14.95
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.
2bwa ENDOGLUCANASE

(Rhodothermus
marinus)
PF01670
(Glyco_hydro_12)
5 LEU A   5
ASN A  23
GLY A 205
VAL A  36
ILE A  34
None
1.08A 5kr2D-2bwaA:
undetectable
5kr2D-2bwaA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bws XAA-PRO
AMINOPEPTIDASE P


(Escherichia
coli)
PF00557
(Peptidase_M24)
PF05195
(AMP_N)
5 LEU A 433
ILE A 403
ILE A 259
VAL A 424
ILE A 430
None
1.04A 5kr2D-2bwsA:
undetectable
5kr2D-2bwsA:
13.91
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox)
PF00491
(Arginase)
5 LEU A  46
ILE A 101
GLY A 104
PRO A  92
ILE A   7
None
1.08A 5kr2D-2cevA:
undetectable
5kr2D-2cevA:
18.75
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.
2cun PHOSPHOGLYCERATE
KINASE


(Pyrococcus
horikoshii)
PF00162
(PGK)
5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
None
0.80A 5kr2D-2cunA:
undetectable
5kr2D-2cunA:
14.73
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG)
PF05199
(GMC_oxred_C)
5 LEU A 329
ASN A 325
ILE A  77
ILE A  51
VAL A 286
None
None
FAD  A1625 (-3.9A)
None
None
1.12A 5kr2D-2f5vA:
undetectable
5kr2D-2f5vA:
13.48
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.
2f8m RIBOSE 5-PHOSPHATE
ISOMERASE


(Plasmodium
falciparum)
PF06026
(Rib_5-P_isom_A)
5 LEU A  42
ILE A  83
GLY A  24
ILE A  53
ILE A  38
None
1.16A 5kr2D-2f8mA:
undetectable
5kr2D-2f8mA:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE


(Equine
infectious
anemia virus)
PF00077
(RVP)
7 ARG A   8
LEU A  23
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
0.66A 5kr2D-2fmbA:
14.9
5kr2D-2fmbA:
33.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2izo FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE


(Sulfolobus
solfataricus)
PF00752
(XPG_N)
PF00867
(XPG_I)
5 ARG A 183
ILE A 224
GLY A 227
ILE A 230
ILE A 174
None
1.07A 5kr2D-2izoA:
undetectable
5kr2D-2izoA:
14.45
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.
2k4m UPF0146 PROTEIN
MTH_1000


(Methanothermobacter
thermautotrophicus)
PF03686
(UPF0146)
5 LEU A  92
GLY A  43
ILE A  96
VAL A  39
ILE A  93
None
0.93A 5kr2D-2k4mA:
undetectable
5kr2D-2k4mA:
16.99
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.
2lnv GENERAL SECRETION
PATHWAY PROTEIN C


(Dickeya
dadantii)
PF11356
(T2SSC)
5 LEU A 145
ILE A 110
GLY A  99
PRO A 129
ILE A 135
None
1.13A 5kr2D-2lnvA:
undetectable
5kr2D-2lnvA:
17.43
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.
2lnv GENERAL SECRETION
PATHWAY PROTEIN C


(Dickeya
dadantii)
PF11356
(T2SSC)
5 LEU A 145
ILE A 110
PRO A 129
VAL A 128
ILE A 135
None
1.00A 5kr2D-2lnvA:
undetectable
5kr2D-2lnvA:
17.43
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.
2pcr INOSITOL-1-MONOPHOSP
HATASE


(Aquifex
aeolicus)
PF00459
(Inositol_P)
5 ARG A  82
GLY A 218
ILE A 215
PRO A 113
VAL A 108
None
1.02A 5kr2D-2pcrA:
undetectable
5kr2D-2pcrA:
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.
2pcr INOSITOL-1-MONOPHOSP
HATASE


(Aquifex
aeolicus)
PF00459
(Inositol_P)
5 ARG A  82
ILE A 221
ILE A 215
PRO A 113
VAL A 108
None
1.02A 5kr2D-2pcrA:
undetectable
5kr2D-2pcrA:
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.
2q1d 2-KETO-3-DEOXY-D-ARA
BINONATE DEHYDRATASE


(Sulfolobus
solfataricus)
PF01557
(FAA_hydrolase)
5 LEU X 266
GLY X 222
ILE X 258
VAL X 272
ILE X 212
None
1.17A 5kr2D-2q1dX:
undetectable
5kr2D-2q1dX:
14.24
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.
2qu8 PUTATIVE NUCLEOLAR
GTP-BINDING PROTEIN
1


(Plasmodium
falciparum)
PF06858
(NOG1)
5 ILE A 136
GLY A  36
ILE A 115
VAL A 111
ILE A 145
None
1.04A 5kr2D-2qu8A:
undetectable
5kr2D-2qu8A:
19.71
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.
2r7m 5-FORMAMINOIMIDAZOLE
-4-CARBOXAMIDE-1-(BE
TA)-D-RIBOFURANOSYL
5'-MONOPHOSPHATE
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF06849
(DUF1246)
PF06973
(DUF1297)
5 ILE A   7
ILE A 291
PRO A  91
VAL A  90
ILE A  88
None
0.91A 5kr2D-2r7mA:
undetectable
5kr2D-2r7mA:
15.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
ILE A  84
AB1  A 501 ( 4.7A)
None
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
0.45A 5kr2D-2rkfA:
20.8
5kr2D-2rkfA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w20 SIALIDASE A

(Streptococcus
pneumoniae)
PF13088
(BNR_2)
5 LEU A 536
GLY A 613
ILE A 585
VAL A 558
ILE A 554
None
1.01A 5kr2D-2w20A:
undetectable
5kr2D-2w20A:
12.99
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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1


(Homo sapiens)
PF01380
(SIS)
5 ILE A 634
ILE A 592
PRO A 615
VAL A 588
ILE A 589
None
0.97A 5kr2D-2zj4A:
undetectable
5kr2D-2zj4A:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE


(Sulfurisphaera
tokodaii)
PF07859
(Abhydrolase_3)
5 ARG A 221
LEU A 162
ILE A  50
GLY A  52
VAL A 121
PO4  A 306 (-2.8A)
None
None
None
None
0.96A 5kr2D-3ailA:
undetectable
5kr2D-3ailA:
17.51
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.
3b7m CELLULASE

(Rhodothermus
marinus)
PF01670
(Glyco_hydro_12)
5 LEU A   5
ASN A  23
GLY A 196
VAL A  36
ILE A  34
None
1.10A 5kr2D-3b7mA:
undetectable
5kr2D-3b7mA:
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.
3b8y ENDO-PECTATE LYASE

(Dickeya
chrysanthemi)
PF03211
(Pectate_lyase)
5 LEU A 153
ILE A 206
GLY A 209
ILE A 188
ILE A 175
None
1.12A 5kr2D-3b8yA:
undetectable
5kr2D-3b8yA:
16.99
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.
3clj PROTEIN NRD1

(Saccharomyces
cerevisiae)
PF04818
(CTD_bind)
5 LEU A 108
GLY A  73
ILE A  72
VAL A 104
ILE A 105
None
1.12A 5kr2D-3cljA:
undetectable
5kr2D-3cljA:
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.
3efb PROBABLE SOR-OPERON
REGULATOR


(Shigella
flexneri)
PF04198
(Sugar-bind)
5 LEU A  57
GLY A 230
ILE A 231
VAL A  63
ILE A 157
None
1.13A 5kr2D-3efbA:
undetectable
5kr2D-3efbA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fed GLUTAMATE
CARBOXYPEPTIDASE III


(Homo sapiens)
PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28)
5 ARG A 517
LEU A 518
ILE A 440
GLY A 365
ILE A 520
None
1.03A 5kr2D-3fedA:
undetectable
5kr2D-3fedA:
11.07
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.
3i0m DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1


(Schizosaccharomyces
pombe)
PF00498
(FHA)
5 ILE A  52
GLY A 137
ILE A 138
VAL A 191
ILE A  17
None
0.93A 5kr2D-3i0mA:
undetectable
5kr2D-3i0mA:
15.43
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.
3jzl PUTATIVE
CYSTATHIONINE
BETA-LYASE INVOLVED
IN ALUMINUM
RESISTANCE


(Listeria
monocytogenes)
PF06838
(Met_gamma_lyase)
5 LEU A 114
GLY A  95
ILE A  96
VAL A 118
ILE A 117
None
1.06A 5kr2D-3jzlA:
undetectable
5kr2D-3jzlA:
14.18
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.
3l6r SERINE RACEMASE

(Homo sapiens)
PF00291
(PALP)
5 LEU A 180
ILE A 160
GLY A 162
VAL A 197
ILE A 193
None
1.15A 5kr2D-3l6rA:
undetectable
5kr2D-3l6rA:
14.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
VAL A  82
None
0.65A 5kr2D-3mwsA:
19.5
5kr2D-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
7 LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
None
0.44A 5kr2D-3mwsA:
19.5
5kr2D-3mwsA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s7i ALLERGEN ARA H 1,
CLONE P41B


(Arachis
hypogaea)
PF00190
(Cupin_1)
5 ARG A 185
ILE A 238
ILE A 266
VAL A 215
ILE A 217
None
1.15A 5kr2D-3s7iA:
undetectable
5kr2D-3s7iA:
15.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t32 AMINOTRANSFERASE,
CLASS I/II


(Bacillus
anthracis)
PF00155
(Aminotran_1_2)
5 ARG A 334
LEU A 338
ILE A 302
VAL A 346
ILE A 344
None
1.11A 5kr2D-3t32A:
undetectable
5kr2D-3t32A:
16.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
SO4  A 101 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
0.71A 5kr2D-3t3cA:
18.3
5kr2D-3t3cA:
73.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
ILE A  84
017  A 201 ( 4.8A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
0.46A 5kr2D-3ttpA:
19.5
5kr2D-3ttpA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
None
None
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
0.55A 5kr2D-3u7sA:
20.0
5kr2D-3u7sA:
74.75
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.
3vzq ACETOACETYL-COA
REDUCTASE


(Cupriavidus
necator)
PF00106
(adh_short)
5 LEU A 199
GLY A 184
ILE A 186
VAL A 203
ILE A 202
None
1.05A 5kr2D-3vzqA:
undetectable
5kr2D-3vzqA:
18.50
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus)
PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD)
5 LEU A 657
ASN A 653
GLY A 737
ILE A 741
ILE A 656
None
1.16A 5kr2D-3wqyA:
undetectable
5kr2D-3wqyA:
7.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a9a RIBOSOME-INTERACTING
GTPASE 1


(Saccharomyces
cerevisiae)
PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn)
5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
None
0.79A 5kr2D-4a9aA:
undetectable
5kr2D-4a9aA:
14.89
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.
4avo BETA-1,4-EXOCELLULAS
E


(Thermobifida
fusca)
PF01341
(Glyco_hydro_6)
5 LEU A 178
GLY A 313
ILE A 315
VAL A 217
ILE A 219
None
0.83A 5kr2D-4avoA:
undetectable
5kr2D-4avoA:
13.59
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.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes)
PF02274
(Amidinotransf)
5 LEU A  61
GLY A  14
PRO A 405
VAL A  19
ILE A  66
None
1.05A 5kr2D-4bofA:
undetectable
5kr2D-4bofA:
14.29
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.
4cza NA+/H+ ANTIPORTER,
PUTATIVE


(Pyrococcus
abyssi)
PF00999
(Na_H_Exchanger)
5 LEU A  46
GLY A  17
ILE A  19
VAL A  41
ILE A  42
None
1.14A 5kr2D-4czaA:
undetectable
5kr2D-4czaA:
16.61
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans)
PF02274
(Amidinotransf)
5 LEU A 109
GLY A  62
PRO A 444
VAL A  67
ILE A 114
None
1.11A 5kr2D-4e4jA:
undetectable
5kr2D-4e4jA:
11.78
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.
4ex9 ALNA

(Streptomyces
sp. CM020)
PF04227
(Indigoidine_A)
5 LEU A   9
ILE A  87
GLY A 108
ILE A 110
VAL A  68
None
1.00A 5kr2D-4ex9A:
undetectable
5kr2D-4ex9A:
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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF


(Bacteroides
thetaiotaomicron)
PF16411
(SusF_SusE)
PF17142
(DUF5115)
5 LEU A 387
ILE A 453
GLY A 482
VAL A 427
ILE A 429
None
1.15A 5kr2D-4fe9A:
undetectable
5kr2D-4fe9A:
14.29
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii)
PF13306
(LRR_5)
5 LEU A 148
ILE A  80
GLY A 105
VAL A 151
ILE A 147
None
1.15A 5kr2D-4gt6A:
undetectable
5kr2D-4gt6A:
14.10
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica)
PF00871
(Acetate_kinase)
5 LEU A 183
GLY A 208
ILE A 195
VAL A 179
ILE A 180
None
0.99A 5kr2D-4h0oA:
undetectable
5kr2D-4h0oA:
13.12
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.
4jn7 ENOLASE

(Agrobacterium
tumefaciens)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 LEU A  23
ILE A 266
GLY A 270
ILE A  86
VAL A  21
None
1.16A 5kr2D-4jn7A:
undetectable
5kr2D-4jn7A:
17.25
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.
4lik DNA PRIMASE SMALL
SUBUNIT


(Homo sapiens)
PF01896
(DNA_primase_S)
5 LEU A 336
GLY A 164
ILE A 110
VAL A 339
ILE A 334
None
0.86A 5kr2D-4likA:
undetectable
5kr2D-4likA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2


(Arabidopsis
thaliana)
PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8)
5 LEU A 776
ASN A 779
GLY A 736
ILE A 714
VAL A 762
None
1.16A 5kr2D-4mn8A:
undetectable
5kr2D-4mn8A:
10.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
7 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
0.54A 5kr2D-4njvA:
20.4
5kr2D-4njvA:
83.84
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.
4o7h GLUTATHIONE
S-TRANSFERASE


(Rhodospirillum
rubrum)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
5 LEU A 170
ILE A 130
PRO A 180
VAL A 179
ILE A 173
None
1.11A 5kr2D-4o7hA:
undetectable
5kr2D-4o7hA:
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae)
PF07859
(Abhydrolase_3)
5 ARG A 221
LEU A 163
ILE A  51
GLY A  53
VAL A 122
None
0.98A 5kr2D-4p9nA:
undetectable
5kr2D-4p9nA:
15.56
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.
4pv4 PROLINE
AMINOPEPTIDASE P II


(Yersinia pestis)
PF00557
(Peptidase_M24)
PF05195
(AMP_N)
5 LEU A 432
ILE A 402
ILE A 257
VAL A 423
ILE A 429
None
1.05A 5kr2D-4pv4A:
undetectable
5kr2D-4pv4A:
13.74
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28


(Saccharomyces
cerevisiae)
PF00270
(DEAD)
PF00271
(Helicase_C)
5 LEU A 359
ILE A 294
ILE A 259
VAL A 362
ILE A 358
None
1.15A 5kr2D-4w7sA:
undetectable
5kr2D-4w7sA:
14.42
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.
4xcu FIBROBLAST GROWTH
FACTOR RECEPTOR 4


(Homo sapiens)
PF07714
(Pkinase_Tyr)
5 LEU A 526
ILE A 628
ILE A 609
VAL A 523
ILE A 527
None
1.13A 5kr2D-4xcuA:
undetectable
5kr2D-4xcuA:
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21


(Pyrococcus
furiosus)
PF14551
(MCM_N)
PF17207
(MCM_OB)
5 ILE A 187
GLY A 205
ILE A 206
VAL A 214
ILE A 249
None
0.95A 5kr2D-4ywlA:
undetectable
5kr2D-4ywlA:
20.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 ARG A   8
ASN A  25
GLY A  49
PRO A  81
ILE A  84
None
1.10A 5kr2D-5b18A:
17.9
5kr2D-5b18A:
71.72
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.
5dlq EXPORTIN-4

(Mus musculus)
no annotation 5 LEU B 608
ILE B 578
ILE B 660
VAL B 604
ILE B 605
None
1.07A 5kr2D-5dlqB:
undetectable
5kr2D-5dlqB:
7.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML


(Bacillus
velezensis)
PF13847
(Methyltransf_31)
5 LEU A  78
ILE A  97
ILE A  67
VAL A  74
ILE A  75
None
1.12A 5kr2D-5dlyA:
undetectable
5kr2D-5dlyA:
16.54
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA


(Cupriavidus
necator)
PF07005
(DUF1537)
PF17042
(DUF1357_C)
5 LEU A 179
ILE A 106
GLY A 232
ILE A 236
ILE A 208
None
1.15A 5kr2D-5dmhA:
undetectable
5kr2D-5dmhA:
12.30
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.
5dtb CG3822

(Drosophila
melanogaster)
PF10613
(Lig_chan-Glu_bd)
5 LEU A 242
ASN A 238
ILE A  91
ILE A  96
ILE A 241
None
0.98A 5kr2D-5dtbA:
undetectable
5kr2D-5dtbA:
17.98
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.
5gs2 REPEBODY

(Escherichia
coli)
PF11921
(DUF3439)
PF12354
(Internalin_N)
PF13855
(LRR_8)
5 LEU B  75
ASN B  73
ILE B  47
VAL B  56
ILE B  53
None
1.15A 5kr2D-5gs2B:
undetectable
5kr2D-5gs2B:
15.48
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.
5il7 RAB FAMILY PROTEIN

(Chlorobaculum
tepidum)
PF12799
(LRR_4)
PF13516
(LRR_6)
5 LEU A 415
ASN A 413
ILE A 342
PRO A 387
ILE A 383
None
1.13A 5kr2D-5il7A:
undetectable
5kr2D-5il7A:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1


(Acidaminococcus
sp. BV3L6)
no annotation 5 LEU A  66
ILE A 121
GLY A 112
ILE A 111
VAL A  69
None
1.03A 5kr2D-5kk5A:
undetectable
5kr2D-5kk5A:
6.11
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.
5mz9 -

(-)
no annotation 5 LEU A 552
GLY A 387
ILE A 385
VAL A 547
ILE A 395
None
1.15A 5kr2D-5mz9A:
undetectable
5kr2D-5mz9A:
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.
5n9m COBYRIC ACID
SYNTHASE


(Staphylococcus
aureus)
no annotation 5 LEU A 203
ILE A 135
GLY A 177
ILE A 178
ILE A 199
None
1.11A 5kr2D-5n9mA:
undetectable
5kr2D-5n9mA:
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA


(Caulobacter
vibrioides)
PF00043
(GST_C)
PF13417
(GST_N_3)
5 LEU A 176
GLY A 139
PRO A 186
VAL A 185
ILE A 179
None
1.15A 5kr2D-5nr1A:
undetectable
5kr2D-5nr1A:
14.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30)
PF09995
(DUF2236)
5 LEU A  79
ASN A  76
GLY A  70
ILE A  67
PRO A  94
None
1.17A 5kr2D-5o1mA:
undetectable
5kr2D-5o1mA:
14.53
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.
5oy9 GLYCOPROTEIN G

(Indiana
vesiculovirus)
no annotation 5 LEU A 374
ILE A 319
GLY A 321
VAL A 366
ILE A 368
None
1.12A 5kr2D-5oy9A:
undetectable
5kr2D-5oy9A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
7 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.44A 5kr2D-5t2zA:
20.1
5kr2D-5t2zA:
77.78
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG


(Methanothermobacter
wolfeii)
PF12838
(Fer4_7)
5 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.07A 5kr2D-5t5iG:
undetectable
5kr2D-5t5iG:
24.00
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.
5ud0 FRUCTOSE-BISPHOSPHAT
E ALDOLASE


(Helicobacter
pylori)
no annotation 5 LEU A  44
GLY A  63
ILE A  67
VAL A  77
ILE A  46
None
1.17A 5kr2D-5ud0A:
undetectable
5kr2D-5ud0A:
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1


(Schizosaccharomyces
pombe)
PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB)
5 LEU A 805
ASN A 735
GLY A 615
VAL A 624
ILE A 621
None
1.07A 5kr2D-5um6A:
undetectable
5kr2D-5um6A:
7.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fml INO80

(Chaetomium
thermophilum)
no annotation 5 LEU G1190
ILE G 991
GLY G 993
ILE G 994
ILE G1193
None
1.09A 5kr2D-6fmlG:
undetectable
5kr2D-6fmlG:
19.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
5 LEU A  23
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
0.69A 5kr2D-6upjA:
18.1
5kr2D-6upjA:
47.47