SIMILAR PATTERNS OF AMINO ACIDS FOR 5KQX_A_ROCA101_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
1.05A 5kqxB-1bouB:
undetectable
5kqxB-1bouB:
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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT


(Escherichia
coli)
PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1)
5 LEU A 241
VAL A 401
ILE A 439
GLY A 277
ILE A 261
None
1.08A 5kqxB-1ddgA:
undetectable
5kqxB-1ddgA:
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.
1dkd GROEL

(Escherichia
coli)
PF00118
(Cpn60_TCP1)
5 LEU A 222
VAL A 276
ILE A 325
PRO A 279
ILE A 250
None
1.10A 5kqxB-1dkdA:
undetectable
5kqxB-1dkdA:
21.28
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
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
0.70A 5kqxB-1hvcA:
13.9
5kqxB-1hvcA:
45.81
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
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
0.68A 5kqxB-1hvcA:
13.9
5kqxB-1hvcA:
45.81
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.
1la1 GROEL

(Escherichia
coli)
PF00118
(Cpn60_TCP1)
5 LEU A 222
VAL A 276
ILE A 325
PRO A 279
ILE A 250
None
1.09A 5kqxB-1la1A:
undetectable
5kqxB-1la1A:
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.
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
1.00A 5kqxB-1lk5A:
undetectable
5kqxB-1lk5A:
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.
1mro METHYL-COENZYME M
REDUCTASE


(Methanothermobacter
marburgensis)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
5 LEU A 120
VAL A 124
ILE A 129
ILE A 231
ILE A 116
None
1.13A 5kqxB-1mroA:
undetectable
5kqxB-1mroA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poi GLUTACONATE COENZYME
A-TRANSFERASE


(Acidaminococcus
fermentans)
PF01144
(CoA_trans)
5 VAL B  27
ILE B  21
GLY B  37
ILE B  36
ILE B  51
None
0.92A 5kqxB-1poiB:
undetectable
5kqxB-1poiB:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rfz HYPOTHETICAL PROTEIN
APC35681


(Geobacillus
stearothermophilus)
PF04608
(PgpA)
5 LEU A 157
VAL A  54
ILE A 104
GLY A 147
ILE A 119
None
1.12A 5kqxB-1rfzA:
undetectable
5kqxB-1rfzA:
21.05
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
0.68A 5kqxB-1sivA:
18.2
5kqxB-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.
1v8b ADENOSYLHOMOCYSTEINA
SE


(Plasmodium
falciparum)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A 389
ASN A 342
ILE A 262
GLY A 264
ILE A 343
NAD  A 501 ( 3.8A)
None
None
NAD  A 501 (-3.6A)
NAD  A 501 (-4.4A)
1.10A 5kqxB-1v8bA:
undetectable
5kqxB-1v8bA:
13.61
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.
1wly 2-HALOACRYLATE
REDUCTASE


(Burkholderia
sp. WS)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 LEU A 234
VAL A 206
ILE A 195
GLY A 175
ILE A 151
LEU  A 234 ( 0.6A)
VAL  A 206 ( 0.6A)
ILE  A 195 ( 0.7A)
GLY  A 175 ( 0.0A)
ILE  A 151 ( 0.7A)
1.03A 5kqxB-1wlyA:
undetectable
5kqxB-1wlyA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y9i LOW TEMPERATURE
REQUIREMENT C
PROTEIN


(Listeria
monocytogenes)
PF04608
(PgpA)
5 LEU A 158
VAL A  55
ILE A 105
GLY A 148
ILE A 120
None
1.11A 5kqxB-1y9iA:
undetectable
5kqxB-1y9iA:
20.71
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.
2a8x DIHYDROLIPOYL
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 VAL A 197
ILE A 199
GLY A 183
ILE A 182
ILE A 174
None
None
None
FAD  A 480 (-4.2A)
None
1.14A 5kqxB-2a8xA:
undetectable
5kqxB-2a8xA:
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.
2afv COBALAMIN
BIOSYNTHESIS
PRECORRIN ISOMERASE


(Leptospira
interrogans)
PF02570
(CbiC)
5 ILE A 194
GLY A 165
ILE A 139
PRO A 160
ILE A 136
None
0.89A 5kqxB-2afvA:
undetectable
5kqxB-2afvA:
19.03
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.
2bb0 IMIDAZOLONEPROPIONAS
E


(Bacillus
subtilis)
PF01979
(Amidohydro_1)
5 LEU A 374
VAL A  48
ILE A   5
ILE A  65
ILE A  47
None
1.13A 5kqxB-2bb0A:
undetectable
5kqxB-2bb0A:
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox)
PF00491
(Arginase)
5 LEU A  46
ILE A 101
GLY A 104
PRO A  92
ILE A   7
None
0.99A 5kqxB-2cevA:
undetectable
5kqxB-2cevA:
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.
2cl2 PUTATIVE
LAMINARINASE


(Phanerochaete
chrysosporium)
no annotation 5 LEU A  52
VAL A  89
ILE A 119
ILE A 248
ILE A 291
None
1.07A 5kqxB-2cl2A:
undetectable
5kqxB-2cl2A:
17.87
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
VAL A  32
ILE A  53
GLY A  55
PRO A  86
ILE A  89
LP1  A 201 (-3.5A)
None
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
0.64A 5kqxB-2fmbA:
14.9
5kqxB-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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
5 LEU A 192
VAL A  45
ILE A  91
ILE A  97
ILE A 158
None
0.99A 5kqxB-2fpqA:
undetectable
5kqxB-2fpqA:
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.
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
1.06A 5kqxB-2izoA:
undetectable
5kqxB-2izoA:
15.03
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.
2j3r ZGC 92866

(Danio rerio)
PF04051
(TRAPP)
5 LEU B  86
VAL B  93
ILE B 146
GLY B 144
ILE B  89
None
1.11A 5kqxB-2j3rB:
undetectable
5kqxB-2j3rB:
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.
2j3w ZGC 92866

(Danio rerio)
PF04051
(TRAPP)
5 LEU B  86
VAL B  93
ILE B 146
GLY B 144
ILE B  89
None
1.06A 5kqxB-2j3wB:
undetectable
5kqxB-2j3wB:
20.21
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.
2ma4 PUTATIVE PERIPLASMIC
PROTEIN


(Salmonella
enterica)
PF07338
(DUF1471)
5 VAL A  70
ILE A  43
GLY A  83
ILE A  81
ILE A  24
None
1.13A 5kqxB-2ma4A:
undetectable
5kqxB-2ma4A:
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.
2pyx TRYPTOPHAN
HALOGENASE


(Shewanella
frigidimarina)
PF04820
(Trp_halogenase)
5 LEU A  42
VAL A 190
GLY A  18
ILE A 349
ILE A  44
None
0.91A 5kqxB-2pyxA:
undetectable
5kqxB-2pyxA:
11.47
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.
2r6r CELL DIVISION
PROTEIN FTSZ


(Aquifex
aeolicus)
PF00091
(Tubulin)
PF12327
(FtsZ_C)
5 LEU 1 245
VAL 1 308
ILE 1 193
GLY 1 192
ILE 1 222
None
1.09A 5kqxB-2r6r1:
undetectable
5kqxB-2r6r1:
15.58
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)
0.49A 5kqxB-2rkfA:
20.4
5kqxB-2rkfA:
80.81
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE


(Clostridium
perfringens)
PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C)
5 VAL A 152
ILE A 132
GLY A 130
ILE A  74
ILE A  29
None
1.03A 5kqxB-2vcaA:
undetectable
5kqxB-2vcaA:
7.98
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens)
PF00150
(Cellulase)
5 LEU A 157
VAL A  85
ILE A  69
ILE A 107
ILE A 122
None
1.11A 5kqxB-2whlA:
undetectable
5kqxB-2whlA:
16.67
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens)
PF00150
(Cellulase)
5 LEU A 157
VAL A  85
ILE A  73
ILE A 114
ILE A 122
None
1.06A 5kqxB-2whlA:
undetectable
5kqxB-2whlA:
16.67
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.
2yv1 SUCCINYL-COA LIGASE
[ADP-FORMING]
SUBUNIT ALPHA


(Methanocaldococcus
jannaschii)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
5 LEU A 140
VAL A 181
ILE A 183
GLY A 190
ILE A 124
None
1.12A 5kqxB-2yv1A:
undetectable
5kqxB-2yv1A:
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.
3adp LAMBDA-CRYSTALLIN

(Oryctolagus
cuniculus)
PF00725
(3HCDH)
PF02737
(3HCDH_N)
5 ARG A  50
LEU A  72
VAL A  32
GLY A  18
ILE A  75
None
1.02A 5kqxB-3adpA:
undetectable
5kqxB-3adpA:
15.41
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE


(Colwellia
psychrerythraea)
PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C)
5 LEU A 595
VAL A 624
GLY A 583
ILE A 582
PRO A 590
None
1.08A 5kqxB-3ciaA:
undetectable
5kqxB-3ciaA:
10.62
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE


(Bacillus
subtilis)
PF02558
(ApbA)
PF08546
(ApbA_C)
5 ARG A 152
ILE A   6
GLY A   4
ILE A   3
ILE A  93
None
1.10A 5kqxB-3egoA:
undetectable
5kqxB-3egoA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f3k UNCHARACTERIZED
PROTEIN YKR043C


(Saccharomyces
cerevisiae)
PF00300
(His_Phos_1)
5 ARG A 181
VAL A 173
ILE A 155
ILE A 186
ILE A  10
None
0.91A 5kqxB-3f3kA:
undetectable
5kqxB-3f3kA:
17.18
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.
3f3s LAMBDA-CRYSTALLIN
HOMOLOG


(Homo sapiens)
PF00725
(3HCDH)
PF02737
(3HCDH_N)
5 ARG A  50
LEU A  72
VAL A  32
GLY A  18
ILE A  75
None
1.06A 5kqxB-3f3sA:
undetectable
5kqxB-3f3sA:
14.15
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.
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
1.10A 5kqxB-3fedA:
undetectable
5kqxB-3fedA:
10.91
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.
3htn PUTATIVE DNA BINDING
PROTEIN


(Bacteroides
thetaiotaomicron)
PF03479
(DUF296)
5 LEU A 117
VAL A 136
GLY A  89
ILE A 152
ILE A 114
None
1.13A 5kqxB-3htnA:
undetectable
5kqxB-3htnA:
22.88
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.
3i3v PROBABLE SECRETED
SOLUTE-BINDING
LIPOPROTEIN


(Streptomyces
coelicolor)
PF01547
(SBP_bac_1)
5 LEU A 319
ASN A 103
GLY A  80
PRO A  53
ILE A 320
None
1.06A 5kqxB-3i3vA:
undetectable
5kqxB-3i3vA:
13.58
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.
3jug BETA-MANNANASE

(Bacillus sp.
N16-5)
PF00150
(Cellulase)
5 LEU A 188
VAL A 116
ILE A 104
ILE A 145
ILE A 153
None
1.05A 5kqxB-3jugA:
undetectable
5kqxB-3jugA:
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.
3lov PROTOPORPHYRINOGEN
OXIDASE


(Exiguobacterium
sibiricum)
PF01593
(Amino_oxidase)
5 LEU A 387
VAL A 358
ILE A  54
ILE A 402
PRO A 397
None
1.11A 5kqxB-3lovA:
undetectable
5kqxB-3lovA:
11.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mt0 UNCHARACTERIZED
PROTEIN PA1789


(Pseudomonas
aeruginosa)
PF00582
(Usp)
5 LEU A 121
VAL A   9
ILE A  11
GLY A  18
ILE A  91
None
1.09A 5kqxB-3mt0A:
undetectable
5kqxB-3mt0A:
15.79
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens)
PF16114
(Citrate_bind)
5 LEU A 217
VAL A 121
ILE A 185
GLY A 187
ILE A 202
None
1.11A 5kqxB-3mweA:
undetectable
5kqxB-3mweA:
12.59
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)
8 ARG A   8
LEU A  23
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.74A 5kqxB-3mwsA:
19.3
5kqxB-3mwsA:
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.
3r9u THIOREDOXIN
REDUCTASE


(Campylobacter
jejuni)
PF07992
(Pyr_redox_2)
5 LEU A  14
VAL A 290
ILE A  46
GLY A  58
ILE A  59
None
FAD  A 501 (-4.0A)
FAD  A 501 (-4.3A)
None
None
0.86A 5kqxB-3r9uA:
undetectable
5kqxB-3r9uA:
14.85
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE


(Trypanosoma
brucei)
PF00186
(DHFR_1)
5 ARG A 214
LEU A 236
VAL A  33
ILE A  41
GLY A  39
None
None
NDP  A 601 ( 3.8A)
NDP  A 601 (-3.5A)
None
1.12A 5kqxB-3rg9A:
undetectable
5kqxB-3rg9A:
17.17
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)
6 LEU A  23
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
SO4  A 101 (-4.2A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
0.62A 5kqxB-3t3cA:
18.3
5kqxB-3t3cA:
74.75
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)
0.44A 5kqxB-3ttpA:
19.3
5kqxB-3ttpA:
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis)
PF05960
(DUF885)
5 LEU A 567
VAL A 351
ILE A 430
GLY A 432
ILE A 356
None
1.13A 5kqxB-3u24A:
undetectable
5kqxB-3u24A:
11.42
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)
0.39A 5kqxB-3u7sA:
19.9
5kqxB-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.
3wn6 ALPHA-AMYLASE

(Oryza sativa)
PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2)
5 LEU A 377
VAL A 395
ILE A 365
ILE A 336
ILE A 391
None
1.12A 5kqxB-3wn6A:
undetectable
5kqxB-3wn6A:
14.91
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.
3zlc ER-DERIVED VESICLES
PROTEIN ERV41


(Saccharomyces
cerevisiae)
PF07970
(COPIIcoated_ERV)
PF13850
(ERGIC_N)
5 LEU A  80
VAL A  94
ILE A 168
GLY A 166
ILE A  82
None
1.05A 5kqxB-3zlcA:
undetectable
5kqxB-3zlcA:
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.
3zxu MCM21

(Kluyveromyces
lactis)
PF09496
(CENP-O)
5 LEU A 124
VAL A 155
ILE A 180
ILE A 187
ILE A 137
None
0.86A 5kqxB-3zxuA:
undetectable
5kqxB-3zxuA:
18.21
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE


(Bacteroides
thetaiotaomicron)
PF07494
(Reg_prop)
PF07495
(Y_Y_Y)
5 ARG A 505
VAL A 558
GLY A 515
ILE A 500
ILE A 548
None
1.02A 5kqxB-4a2lA:
undetectable
5kqxB-4a2lA:
8.84
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.
4emk U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM5
U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM7


(Schizosaccharomyces
pombe)
PF01423
(LSM)
5 LEU A  10
VAL C  88
ILE C  46
GLY C  48
ILE C  49
None
0.93A 5kqxB-4emkA:
undetectable
5kqxB-4emkA:
17.70
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A


(Catenulispora
acidiphila)
PF13768
(VWA_3)
5 LEU A 161
VAL A  96
ILE A 148
GLY A 146
ILE A  59
None
1.13A 5kqxB-4fx5A:
undetectable
5kqxB-4fx5A:
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.
4g1k TRIOSEPHOSPHATE
ISOMERASE


(Burkholderia
thailandensis)
PF00121
(TIM)
5 ARG A 248
VAL A  63
GLY A  11
ILE A 233
ILE A  42
None
1.01A 5kqxB-4g1kA:
undetectable
5kqxB-4g1kA:
17.42
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.
4g2r ACCD6,
CARBOXYLTRANSFERASE
BETA-SUBUNIT OF
ACYL-COA CARBOXYLASE


(Mycobacterium
tuberculosis)
PF01039
(Carboxyl_trans)
5 ARG A  37
LEU A  33
ILE A  90
GLY A  92
ILE A  93
None
1.08A 5kqxB-4g2rA:
undetectable
5kqxB-4g2rA:
13.61
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)
8 ARG A   8
LEU A  23
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
RIT  A 500 (-3.2A)
None
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)
0.67A 5kqxB-4njvA:
20.0
5kqxB-4njvA:
84.85
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.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE


(Homo sapiens)
PF00067
(p450)
5 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
None
0.89A 5kqxB-4nkyA:
undetectable
5kqxB-4nkyA:
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.
4p1e TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Escherichia
fergusonii)
PF03480
(DctP)
5 LEU A 143
VAL A  90
ILE A  42
GLY A  45
ILE A 241
None
1.10A 5kqxB-4p1eA:
undetectable
5kqxB-4p1eA:
16.92
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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER


(Chromobacterium
violaceum)
PF04348
(LppC)
5 LEU A 166
VAL A  88
GLY A 107
ILE A 337
ILE A 146
None
0.80A 5kqxB-4pyrA:
undetectable
5kqxB-4pyrA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3o MGS-MT1

(unidentified)
PF07859
(Abhydrolase_3)
5 VAL A  94
ILE A 138
GLY A 141
ILE A 144
PRO A 109
GOL  A 405 (-4.4A)
None
None
None
None
1.09A 5kqxB-4q3oA:
undetectable
5kqxB-4q3oA:
17.75
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.
4xa9 GALA PROTEIN TYPE 1,
3 OR 4


(Legionella
pneumophila)
PF13516
(LRR_6)
5 LEU A  49
VAL A  97
ILE A 102
GLY A  82
ILE A  73
None
0.96A 5kqxB-4xa9A:
undetectable
5kqxB-4xa9A:
14.98
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.
4xk2 ALDO/KETO REDUCTASE

(Polaromonas sp.
JS666)
PF00248
(Aldo_ket_red)
5 ARG A 116
LEU A 117
VAL A 152
ILE A 155
ILE A 122
None
1.14A 5kqxB-4xk2A:
undetectable
5kqxB-4xk2A:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y81 PROTEASOME SUBUNIT
BETA TYPE-6


(Saccharomyces
cerevisiae)
PF00227
(Proteasome)
5 ARG L 213
VAL L  43
ILE L  12
GLY L  14
ILE L  15
None
1.12A 5kqxB-4y81L:
undetectable
5kqxB-4y81L:
19.63
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.
4y9v PARTICLE-ASSOCIATED
LYASE


(Acinetobacter
virus AP22)
no annotation 5 LEU A 354
VAL A 404
GLY A 395
ILE A 366
ILE A 382
None
1.13A 5kqxB-4y9vA:
undetectable
5kqxB-4y9vA:
9.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1)
PF00077
(RVP)
5 ARG A  10
LEU A  30
VAL A  39
GLY A  58
ILE A 100
None
None
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
0.79A 5kqxB-4ydfA:
12.7
5kqxB-4ydfA:
31.30
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21


(Pyrococcus
furiosus)
PF14551
(MCM_N)
PF17207
(MCM_OB)
5 VAL A 221
ILE A 187
GLY A 205
ILE A 206
ILE A 249
None
1.10A 5kqxB-4ywlA:
undetectable
5kqxB-4ywlA:
19.35
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.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN


(Candidatus
Nitrososphaera
gargensis)
PF00561
(Abhydrolase_1)
5 VAL A 251
ILE A 122
GLY A  97
ILE A  29
ILE A  38
None
1.08A 5kqxB-5a62A:
undetectable
5kqxB-5a62A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ctm BETA-LACTAMASE

(Bacillus
pumilus)
PF00905
(Transpeptidase)
5 LEU A 262
VAL A  87
GLY A  73
ILE A 266
PRO A 197
None
1.10A 5kqxB-5ctmA:
undetectable
5kqxB-5ctmA:
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.
5cw5 BRCA1/BRCA2-CONTAINI
NG COMPLEX SUBUNIT 3


(Camponotus
floridanus)
PF01398
(JAB)
5 LEU A  79
VAL A  89
GLY A  33
ILE A  51
ILE A  36
None
0.87A 5kqxB-5cw5A:
undetectable
5kqxB-5cw5A:
14.90
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.
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
0.95A 5kqxB-5dtbA:
undetectable
5kqxB-5dtbA:
15.73
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.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN


(Snake
atadenovirus A)
PF01696
(Adeno_E1B_55K)
5 LEU A  49
ILE A  86
ILE A  83
PRO A  37
ILE A  68
None
1.12A 5kqxB-5g5nA:
undetectable
5kqxB-5g5nA:
14.12
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.
5gv1 ENDO-1,4-BETA-XYLANA
SE


(termite gut
metagenome)
PF00457
(Glyco_hydro_11)
5 ILE A 145
GLY A 123
ILE A 122
PRO A 210
ILE A 206
None
1.11A 5kqxB-5gv1A:
undetectable
5kqxB-5gv1A:
14.98
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.
5gyg ENDO-1,4-BETA-XYLANA
SE


(termite gut
metagenome)
PF00457
(Glyco_hydro_11)
5 ILE A 145
GLY A 123
ILE A 122
PRO A 210
ILE A 206
None
1.12A 5kqxB-5gygA:
undetectable
5kqxB-5gygA:
16.39
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7)
PF00704
(Glyco_hydro_18)
5 LEU B1407
ILE B1299
GLY B1392
ILE B1047
ILE B1410
None
1.12A 5kqxB-5gztB:
undetectable
5kqxB-5gztB:
6.97
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7)
PF00704
(Glyco_hydro_18)
5 LEU A1407
ILE A1299
GLY A1392
ILE A1047
ILE A1410
None
1.11A 5kqxB-5gzuA:
undetectable
5kqxB-5gzuA:
8.72
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.
5h7j ELONGATION FACTOR 2

(Pyrococcus
horikoshii)
no annotation 5 LEU A  92
ILE A 119
GLY A  28
ILE A  96
ILE A  93
None
1.09A 5kqxB-5h7jA:
undetectable
5kqxB-5h7jA:
21.57
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus)
PF07521
(RMMBL)
PF12706
(Lactamase_B_2)
5 LEU A 137
VAL A 160
ILE A  31
ILE A 102
ILE A 145
None
1.12A 5kqxB-5habA:
undetectable
5kqxB-5habA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihe DNA POLYMERASE II
SMALL SUBUNIT


(Pyrococcus
abyssi)
PF00149
(Metallophos)
5 LEU A 488
VAL A 199
GLY A 447
ILE A 401
ILE A 486
None
1.02A 5kqxB-5iheA:
undetectable
5kqxB-5iheA:
12.04
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.
5kd0 AROMATIC
PRENYLTRANSFERASE


(Aspergillus
terreus)
PF11991
(Trp_DMAT)
5 LEU A 121
ASN A 172
ILE A 253
GLY A 251
ILE A 173
None
1.10A 5kqxB-5kd0A:
undetectable
5kqxB-5kd0A:
11.48
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.
5lcn UNCHARACTERIZED
PROTEIN


(Pyrococcus
furiosus)
PF12146
(Hydrolase_4)
5 LEU A 159
VAL A 214
ILE A 175
ILE A 228
ILE A 156
None
1.10A 5kqxB-5lcnA:
undetectable
5kqxB-5lcnA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mnj E3 UBIQUITIN-PROTEIN
LIGASE MDM2


(Homo sapiens)
PF13920
(zf-C3HC4_3)
5 VAL C 439
GLY C 448
ILE C 485
PRO C 476
ILE C 440
None
1.11A 5kqxB-5mnjC:
undetectable
5kqxB-5mnjC:
21.50
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.
5mu3 CENTRAL KINETOCHORE
SUBUNIT MCM21


(Kluyveromyces
lactis)
no annotation 5 LEU A 124
VAL A 155
ILE A 180
ILE A 187
ILE A 137
None
0.79A 5kqxB-5mu3A:
undetectable
5kqxB-5mu3A:
21.74
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.
5nno ALDEHYDE
DEHYDROGENASE


(Trypanosoma
brucei)
PF00171
(Aldedh)
5 LEU A 393
VAL A 423
ILE A 253
GLY A 256
ILE A 260
NAD  A 601 (-4.3A)
None
None
None
92N  A 602 ( 4.7A)
1.09A 5kqxB-5nnoA:
undetectable
5kqxB-5nnoA:
11.09
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.
5opt 40S RIBOSOMAL
PROTEIN S5, PUTATIVE


(Trypanosoma
cruzi)
no annotation 5 ASN O 134
VAL O 102
ILE O  28
ILE O  52
ILE O 137
U  E2147 ( 3.1A)
None
None
None
None
1.12A 5kqxB-5optO:
undetectable
5kqxB-5optO:
19.47
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)
8 ARG A   8
LEU A  23
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.54A 5kqxB-5t2zA:
20.0
5kqxB-5t2zA:
80.81
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.
5tc4 BIFUNCTIONAL
METHYLENETETRAHYDROF
OLATE
DEHYDROGENASE/CYCLOH
YDROLASE,
MITOCHONDRIAL


(Homo sapiens)
PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C)
5 LEU A  45
VAL A 180
ILE A 251
ILE A 305
ILE A 183
None
0.99A 5kqxB-5tc4A:
undetectable
5kqxB-5tc4A:
17.41
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.
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Naegleria
gruberi)
no annotation 5 VAL A  28
ILE A  31
GLY A  13
ILE A  12
ILE A   4
None
None
None
NAD  A 401 (-4.1A)
None
0.93A 5kqxB-5ur0A:
undetectable
5kqxB-5ur0A:
22.81
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL


(Homo sapiens)
no annotation 5 ARG A 425
LEU A 381
ASN A 379
VAL A 354
GLY A 257
8Z1  A 601 ( 3.8A)
None
None
None
None
1.09A 5kqxB-5v7iA:
undetectable
5kqxB-5v7iA:
12.72
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE


(Naegleria
fowleri)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A 386
ASN A 339
ILE A 259
GLY A 261
ILE A 340
NAD  A 501 (-3.9A)
None
None
NAD  A 501 (-3.6A)
NAD  A 501 (-4.4A)
1.05A 5kqxB-5v96A:
undetectable
5kqxB-5v96A:
12.74
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli)
PF00118
(Cpn60_TCP1)
5 LEU A 222
VAL A 276
ILE A 325
PRO A 279
ILE A 250
None
1.04A 5kqxB-5w0sA:
undetectable
5kqxB-5w0sA:
11.67
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.
5wvr KLLA0C04147P

(Kluyveromyces
lactis)
PF01237
(Oxysterol_BP)
5 VAL A 909
ILE A1041
GLY A1058
ILE A1070
ILE A 906
None
1.00A 5kqxB-5wvrA:
undetectable
5kqxB-5wvrA:
11.72
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens)
no annotation 5 LEU A 694
VAL A 779
GLY A 762
ILE A 761
ILE A 707
None
1.13A 5kqxB-6ej2A:
6.5
5kqxB-6ej2A:
21.21
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3


(Homo sapiens)
no annotation 5 LEU A   6
VAL A1100
ILE A 412
ILE A1092
ILE A1110
None
1.08A 5kqxB-6en4A:
undetectable
5kqxB-6en4A:
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.
6fml INO80

(Chaetomium
thermophilum)
no annotation 5 LEU G1190
ILE G 991
GLY G 993
ILE G 994
ILE G1193
None
1.00A 5kqxB-6fmlG:
undetectable
5kqxB-6fmlG:
18.37
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 ARG A   8
LEU A  23
GLY A  49
ILE A  50
ILE A  84
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
0.78A 5kqxB-6upjA:
17.9
5kqxB-6upjA:
48.48
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
0.75A 5kqxB-6upjA:
17.9
5kqxB-6upjA:
48.48