SIMILAR PATTERNS OF AMINO ACIDS FOR 4KYA_D_FOLD703_0

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.
1cf5 PROTEIN
(BETA-MOMORCHARIN)

(Momordica
charantia) 		PF00161
(RIP) 		5 ALA A 157
SER A  61
LEU A  94
VAL A  72
THR A 156
 None
 1.41A 4kyaD-1cf5A:
undetectable		 4kyaD-1cf5A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
ASP A  27
LEU A  55
ARG A  58
THR A 121
 None
 0.50A 4kyaD-1cz3A:
11.5		 4kyaD-1cz3A:
16.82
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 VAL A   6
TRP A  22
ASP A  27
LEU A  55
ARG A  58
 None
 1.32A 4kyaD-1cz3A:
11.5		 4kyaD-1cz3A:
16.82
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  67
ARG A  70
VAL A 115
THR A 136
 HBI  A 198 ( 3.6A)
None
None
HBI  A 198 ( 4.3A)
HBI  A 198 ( 4.5A)
 0.47A 4kyaD-1dr6A:
15.6		 4kyaD-1dr6A:
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.
1l9x GAMMA-GLUTAMYL
HYDROLASE

(Homo sapiens) 		PF07722
(Peptidase_C26) 		5 VAL A  47
ALA A  45
PHE A  63
LEU A  62
VAL A  48
 None
 1.48A 4kyaD-1l9xA:
undetectable		 4kyaD-1l9xA:
18.84
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.
1q77 HYPOTHETICAL PROTEIN
AQ_178

(Aquifex
aeolicus) 		PF00582
(Usp) 		5 VAL A   6
ALA A 113
SER A  95
LEU A 127
VAL A 110
 None
 1.48A 4kyaD-1q77A:
undetectable		 4kyaD-1q77A:
16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sc6 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Escherichia
coli) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		5 VAL A 243
SER A 208
MET A 229
LEU A 235
VAL A 244
 None
 1.49A 4kyaD-1sc6A:
undetectable		 4kyaD-1sc6A:
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  31
LEU A  67
ARG A  70
VAL A 115
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 ( 4.0A)
MTX  A 187 (-4.4A)
 0.41A 4kyaD-1u70A:
15.5		 4kyaD-1u70A:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  67
ARG A  70
VAL A 115
THR A 136
 MXA  A 187 (-3.6A)
None
None
MXA  A 187 (-4.3A)
MXA  A 187 (-4.3A)
 0.41A 4kyaD-1u71A:
15.7		 4kyaD-1u71A:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uai POLYGULURONATE LYASE

(Corynebacterium
sp.) 		PF08787
(Alginate_lyase2) 		5 VAL A  47
ALA A  42
PHE A  39
LEU A  13
VAL A  54
 None
 1.12A 4kyaD-1uaiA:
undetectable		 4kyaD-1uaiA:
16.49
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.41A 4kyaD-1zdrA:
13.2		 4kyaD-1zdrA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
SER A  58
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.32A 4kyaD-2blbA:
15.0		 4kyaD-2blbA:
18.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 VAL A  26
ALA A  28
ASP A  48
PHE A  88
LEU A  91
ARG A  94
THR A 178
 None
NAP  A 523 (-3.7A)
None
None
None
None
None
 0.64A 4kyaD-2h2qA:
36.8		 4kyaD-2h2qA:
44.80
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.
2lqn CRK-LIKE PROTEIN

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07653
(SH3_2) 		5 ALA A  13
ASP A   7
PHE A   6
LEU A  84
VAL A  38
 None
 1.36A 4kyaD-2lqnA:
undetectable		 4kyaD-2lqnA:
18.94
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.
2o5f PUTATIVE NUDIX
HYDROLASE DR_0079

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 VAL A  36
ASP A 158
LEU A  29
ARG A  24
VAL A  34
 None
 1.38A 4kyaD-2o5fA:
undetectable		 4kyaD-2o5fA:
14.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 VAL A   9
ALA A  11
ASP A  32
SER A  37
LEU A  67
ARG A  70
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 2.9A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.40A 4kyaD-2oipA:
43.0		 4kyaD-2oipA:
44.56
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.
2qco CMER

(Campylobacter
jejuni) 		PF00440
(TetR_N) 		5 VAL A 194
PHE A  95
SER A  94
PHE A 145
VAL A 198
 None
 1.12A 4kyaD-2qcoA:
undetectable		 4kyaD-2qcoA:
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.
2rem DISULFIDE
OXIDOREDUCTASE

(Xylella
fastidiosa) 		PF13462
(Thioredoxin_4) 		5 VAL A  64
ALA A  66
TRP A  72
PHE A 173
LEU A  48
 None
 1.45A 4kyaD-2remA:
undetectable		 4kyaD-2remA:
14.41
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.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 160
SER A 151
LEU A  15
VAL A  94
THR A 135
 VAL  A 160 ( 0.6A)
SER  A 151 ( 0.0A)
LEU  A  15 ( 0.6A)
VAL  A  94 ( 0.6A)
THR  A 135 ( 0.8A)
 1.26A 4kyaD-2vbfA:
undetectable		 4kyaD-2vbfA:
21.70
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.
2vr2 DIHYDROPYRIMIDINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A  90
SER A 130
PHE A 386
LEU A 388
THR A  87
 None
 1.30A 4kyaD-2vr2A:
undetectable		 4kyaD-2vr2A:
21.76
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 VAL A   9
ALA A  11
ASP A  31
LEU A  61
ARG A  64
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.69A 4kyaD-2w3wA:
13.9		 4kyaD-2w3wA:
16.70
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.69A 4kyaD-2w9sA:
13.4		 4kyaD-2w9sA:
15.63
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		5 ALA A 134
MET A  67
LEU A  51
VAL A  27
THR A 149
 None
 1.45A 4kyaD-2xdqA:
undetectable		 4kyaD-2xdqA:
21.85
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.
2yt0 AMYLOID BETA A4
PROTEIN AND AMYLOID
BETA A4 PRECURSOR
PROTEIN-BINDING
FAMILY B MEMBER 2

(Mus musculus) 		PF00640
(PID)
PF10515
(APP_amyloid) 		5 PHE A 145
PHE A 143
LEU A  83
VAL A  74
THR A 149
 None
 1.47A 4kyaD-2yt0A:
undetectable		 4kyaD-2yt0A:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a5i FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHA

(Salmonella
enterica) 		PF00771
(FHIPEP) 		5 VAL A 350
ALA A 352
ASP A 356
VAL A 349
THR A 353
 None
 1.29A 4kyaD-3a5iA:
undetectable		 4kyaD-3a5iA:
21.76
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.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 VAL A 501
ASP A 460
SER A 476
PHE A 483
VAL A 500
 None
CA  A 540 (-3.0A)
None
None
None
 1.42A 4kyaD-3afgA:
undetectable		 4kyaD-3afgA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		5 VAL A  59
PHE A  78
PHE A  40
LEU A  39
VAL A   5
 None
 1.21A 4kyaD-3bexA:
undetectable		 4kyaD-3bexA:
19.72
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.
3brs PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 ALA A 205
SER A 192
LEU A 127
VAL A 221
THR A 181
 None
 1.42A 4kyaD-3brsA:
undetectable		 4kyaD-3brsA:
20.25
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.
3daq DIHYDRODIPICOLINATE
SYNTHASE

(Staphylococcus
aureus) 		PF00701
(DHDPS) 		5 VAL A  75
ALA A  40
PHE A 262
LEU A  26
VAL A  43
 None
 1.17A 4kyaD-3daqA:
undetectable		 4kyaD-3daqA:
18.91
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.64A 4kyaD-3dfrA:
13.9		 4kyaD-3dfrA:
14.49
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.52A 4kyaD-3dg8A:
4.7		 4kyaD-3dg8A:
18.29
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.
3ezx MONOMETHYLAMINE
CORRINOID PROTEIN 1

(Methanosarcina
barkeri) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		5 VAL A 148
ALA A  96
PHE A  99
LEU A 170
VAL A 179
 None
 1.18A 4kyaD-3ezxA:
undetectable		 4kyaD-3ezxA:
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.
3ge4 DNA PROTECTION
DURING STARVATION
PROTEIN

(Brucella
melitensis) 		PF00210
(Ferritin) 		5 VAL A 125
SER A 150
PHE A  62
LEU A  66
VAL A 121
 None
 1.40A 4kyaD-3ge4A:
undetectable		 4kyaD-3ge4A:
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
ASP X  27
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
None
N22  X 219 (-4.4A)
 0.76A 4kyaD-3i8aX:
13.5		 4kyaD-3i8aX:
15.33
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.
3il7 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Staphylococcus
aureus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 122
SER A 105
LEU A  94
VAL A 137
THR A 121
 None
 1.48A 4kyaD-3il7A:
undetectable		 4kyaD-3il7A:
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A  10
MET A  53
LEU A  58
ARG A  61
VAL A 100
THR A 119
 MTX  A 200 (-3.8A)
MTX  A 200 ( 4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.81A 4kyaD-3ix9A:
13.5		 4kyaD-3ix9A:
15.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
LEU A  80
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.34A 4kyaD-3kjrA:
45.4		 4kyaD-3kjrA:
42.73
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.
3l0i DRRA

(Legionella
pneumophila) 		PF14860
(DrrA_P4M) 		5 ALA A 419
ASP A 415
SER A 465
LEU A 504
VAL A 518
 None
 1.11A 4kyaD-3l0iA:
undetectable		 4kyaD-3l0iA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A  43
ALA A  45
TRP A  71
LEU A 235
VAL A  19
 None
FDA  A 547 (-3.6A)
FDA  A 547 (-4.2A)
None
None
 1.23A 4kyaD-3ljpA:
undetectable		 4kyaD-3ljpA:
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 VAL A  51
PHE A 216
SER A 185
PHE A 182
VAL A  43
 None
 1.32A 4kyaD-3n71A:
undetectable		 4kyaD-3n71A:
21.07
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.
3oo9 ABC TRANSPORTER
BINDING PROTEIN ACBH

(Actinoplanes
sp. SE50/110) 		PF01547
(SBP_bac_1) 		5 ALA A  41
PHE A  21
SER A  73
LEU A 294
THR A  42
 None
 1.47A 4kyaD-3oo9A:
undetectable		 4kyaD-3oo9A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris;
Komagataella
pastoris) 		PF00365
(PFK)
PF00365
(PFK) 		5 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.39A 4kyaD-3opyA:
undetectable		 4kyaD-3opyA:
19.40
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 VAL A 142
ALA A 144
SER A 133
LEU A 168
VAL A 165
 None
 1.44A 4kyaD-3pv2A:
undetectable		 4kyaD-3pv2A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q2i DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A 226
ALA A 339
LEU A 347
VAL A 207
THR A 211
 None
NA  A 353 ( 4.1A)
None
None
NA  A 353 (-3.6A)
 1.27A 4kyaD-3q2iA:
undetectable		 4kyaD-3q2iA:
20.32
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 VAL A  37
ALA A  39
TRP A  66
LEU A 233
VAL A  13
 None
FAY  A 600 (-3.3A)
FAY  A 600 (-4.0A)
None
None
 1.17A 4kyaD-3q9tA:
undetectable		 4kyaD-3q9tA:
22.62
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.
3qva TRANSTHYRETIN-LIKE
PROTEIN

(Klebsiella
pneumoniae) 		PF00576
(Transthyretin) 		5 VAL A  22
ALA A  77
TRP A 102
LEU A   4
THR A  61
 None
 1.48A 4kyaD-3qvaA:
undetectable		 4kyaD-3qvaA:
16.77
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 VAL A  32
ALA A  34
ASP A  54
LEU A  97
ARG A 100
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
WRA  A 602 (-4.2A)
 0.40A 4kyaD-3rg9A:
4.5		 4kyaD-3rg9A:
19.97
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 VAL A  32
PHE A  94
LEU A  97
ARG A 100
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
None
None
WRA  A 602 (-4.2A)
 0.69A 4kyaD-3rg9A:
4.5		 4kyaD-3rg9A:
19.97
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.58A 4kyaD-3tq9A:
13.8		 4kyaD-3tq9A:
17.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
PHE A 116
LEU A 119
ARG A 122
THR A 185
 1CY  A 609 (-2.9A)
None
None
None
1CY  A 609 (-4.3A)
 0.62A 4kyaD-3um6A:
40.7		 4kyaD-3um6A:
41.63
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 VAL A   6
ALA A   8
ASP A  28
LEU A  64
ARG A  67
THR A 133
 None
 0.53A 4kyaD-3vcoA:
13.6		 4kyaD-3vcoA:
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 VAL A   6
ALA A   8
PHE A  61
LEU A  64
ARG A  67
 None
 0.69A 4kyaD-3vcoA:
13.6		 4kyaD-3vcoA:
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.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		5 VAL A 155
SER A 183
MET A  57
LEU A  65
VAL A 201
 None
 1.27A 4kyaD-3vtrA:
undetectable		 4kyaD-3vtrA:
21.37
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.
3vus POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1) 		5 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
 None
 1.16A 4kyaD-3vusA:
undetectable		 4kyaD-3vusA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zvt D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE

(Actinomadura
sp. R39) 		PF02113
(Peptidase_S13) 		5 VAL A 336
ALA A 367
TRP A 376
MET A  51
LEU A 343
 None
 1.29A 4kyaD-3zvtA:
undetectable		 4kyaD-3zvtA:
22.89
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.
4a27 SYNAPTIC VESICLE
MEMBRANE PROTEIN
VAT-1 HOMOLOG-LIKE

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 VAL A 170
SER A 319
PHE A 104
LEU A 324
VAL A 166
 None
 1.43A 4kyaD-4a27A:
undetectable		 4kyaD-4a27A:
20.79
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		5 VAL A  50
ALA A 279
PHE A 272
SER A  53
VAL A 109
 None
None
None
ACY  A 702 ( 4.9A)
None
 1.27A 4kyaD-4f9dA:
undetectable		 4kyaD-4f9dA:
21.91
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.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		5 VAL A 249
TRP A 143
MET A  67
LEU A 291
THR A 185
 None
 1.12A 4kyaD-4f9dA:
undetectable		 4kyaD-4f9dA:
21.91
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
SER X  37
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
None
None
TOP  X 301 (-4.5A)
 0.53A 4kyaD-4g8zX:
15.2		 4kyaD-4g8zX:
18.92
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 11
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 22

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		no annotation
PF06179
(Med22) 		5 VAL V  64
PHE K  61
SER K  36
VAL V  67
THR V  60
 None
 1.45A 4kyaD-4h63V:
undetectable		 4kyaD-4h63V:
15.46
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.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL B 116
ALA B  89
PHE B  68
SER B  84
VAL B 114
 None
 1.47A 4kyaD-4jreB:
undetectable		 4kyaD-4jreB:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ku4 RAS-3 FROM
CRYPHONECTRIA
PARASITICA

(Cryphonectria
parasitica) 		PF00071
(Ras) 		5 VAL A 169
SER A 172
LEU A  27
VAL A 140
THR A 154
 None
GDP  A 301 (-3.2A)
None
None
None
 1.49A 4kyaD-4ku4A:
undetectable		 4kyaD-4ku4A:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmx CRYPTOPHYTE
PHYCOERYTHRIN
(ALPHA-2 CHAIN)
CRYPTOPHYTE
PHYCOERYTHRIN (BETA
CHAIN)

(Hemiselmis
andersenii;
Hemiselmis
andersenii) 		PF02972
(Phycoerythr_ab)
PF00502
(Phycobilisome) 		5 VAL A  38
ALA B  16
SER B   6
LEU B  27
VAL A  36
 None
 1.40A 4kyaD-4lmxA:
undetectable		 4kyaD-4lmxA:
7.82
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  57
ARG A  60
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 (-4.2A)
 0.56A 4kyaD-4m2xA:
13.0		 4kyaD-4m2xA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
MET A  50
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-4.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.99A 4kyaD-4m7vA:
13.1		 4kyaD-4m7vA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 VAL A 170
ALA A  48
PHE A   6
MET A 188
VAL A 169
 None
 1.24A 4kyaD-4o6rA:
undetectable		 4kyaD-4o6rA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6v OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella suis) 		PF13561
(adh_short_C2) 		5 VAL A 226
ALA A 135
TRP A 136
SER A 201
VAL A 175
 None
 1.45A 4kyaD-4o6vA:
undetectable		 4kyaD-4o6vA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pm4 IRON COMPLEX
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Mycobacterium
tuberculosis) 		PF01497
(Peripla_BP_2) 		5 ALA A  70
ASP A  43
PHE A 282
SER A 283
VAL A 290
 None
 1.46A 4kyaD-4pm4A:
undetectable		 4kyaD-4pm4A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		5 VAL A 376
ASP A 372
SER A 397
ARG A 265
THR A 374
 None
 1.44A 4kyaD-4ruwA:
undetectable		 4kyaD-4ruwA:
22.70
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.
4uid SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		PF02368
(Big_2) 		5 VAL A 524
ALA A 519
ASP A 521
PHE A 489
LEU A 452
 None
 1.47A 4kyaD-4uidA:
undetectable		 4kyaD-4uidA:
18.27
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.
4wl2 PUTATIVE EXPORTED
CHOLOYLGLYCINE
HYDROLASE

(Pectobacterium
atrosepticum) 		PF02275
(CBAH) 		5 VAL A 125
ASP A 155
SER A 175
MET A 181
THR A 120
 None
 1.42A 4kyaD-4wl2A:
undetectable		 4kyaD-4wl2A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z0v 2',5'-PHOSPHODIESTER
ASE 12

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 ALA A 304
ASP A 353
SER A 360
PHE A 385
LEU A 339
 None
 1.43A 4kyaD-4z0vA:
undetectable		 4kyaD-4z0vA:
22.17
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.
4ztp HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 VAL H 110
ALA H  84
PHE H  66
LEU H  19
VAL H 108
 None
 1.41A 4kyaD-4ztpH:
undetectable		 4kyaD-4ztpH:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cho FLAVIN REDUCTASE

(uncultured
bacterium) 		PF01613
(Flavin_Reduct) 		5 VAL A  98
TRP A 129
PHE A 186
VAL A 100
THR A  52
 None
None
FAD  A 201 (-4.8A)
None
None
 1.42A 4kyaD-5choA:
undetectable		 4kyaD-5choA:
16.40
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.
5fl7 ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 VAL D 401
ASP D 477
SER D 471
PHE D 488
VAL D 405
 None
 1.26A 4kyaD-5fl7D:
undetectable		 4kyaD-5fl7D:
24.72
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 VAL B 731
PHE B 677
SER B  93
LEU B 960
VAL B 761
 None
 1.39A 4kyaD-5fq6B:
undetectable		 4kyaD-5fq6B:
19.68
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 VAL A 142
ASP A 110
MET A 106
LEU A 102
VAL A 140
 None
 1.19A 4kyaD-5hwqA:
undetectable		 4kyaD-5hwqA:
21.73
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 VAL A1331
ASP A1302
MET A1279
LEU A1242
VAL A1284
 None
 1.16A 4kyaD-5jbeA:
undetectable		 4kyaD-5jbeA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 VAL A 122
MET A 130
LEU A 137
VAL A  73
THR A 102
 None
 1.26A 4kyaD-5lp4A:
undetectable		 4kyaD-5lp4A:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 VAL A   8
ALA A  10
ASP A  31
PHE A  32
SER A  36
MET A  87
PHE A  91
LEU A  94
ARG A  97
VAL A 151
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-4.7A)
None
73X  A 704 (-4.8A)
73X  A 704 ( 4.2A)
None
None
73X  A 704 ( 3.8A)
73X  A 704 (-4.2A)
 0.43A 4kyaD-5t0lA:
52.5		 4kyaD-5t0lA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 VAL A   8
ALA A  10
TRP A  25
ASP A  31
VAL A 151
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
73X  A 704 ( 3.8A)
73X  A 704 (-4.2A)
 1.29A 4kyaD-5t0lA:
52.5		 4kyaD-5t0lA:
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.
5uh0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE F

(Yersinia pestis) 		PF00497
(SBP_bac_3) 		5 VAL A 228
ALA A 107
ASP A  67
MET A 244
PHE A 247
 None
 1.44A 4kyaD-5uh0A:
undetectable		 4kyaD-5uh0A:
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.
5uqc DIHYDROPYRIMIDINASE-
RELATED PROTEIN 2

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 ALA A  96
SER A 136
PHE A 392
LEU A 394
THR A  93
 None
 1.26A 4kyaD-5uqcA:
undetectable		 4kyaD-5uqcA:
22.13
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.
5v12 HERCYNYLCYSTEINE
SULFOXIDE LYASE

(Neurospora
crassa) 		no annotation 5 ALA C 106
SER C  47
MET C 228
ARG C 438
THR C 107
 EXA  C 247 ( 3.5A)
FMT  C 501 (-3.2A)
None
FMT  C 501 (-3.2A)
EXA  C 247 ( 3.5A)
 1.47A 4kyaD-5v12C:
undetectable		 4kyaD-5v12C:
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.
5v6l HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
ANTI-HIV1 GP120 V3
MAB 10A37

(Oryctolagus
cuniculus) 		no annotation 5 VAL H 111
ALA H  85
LEU H  20
VAL H 109
THR H  83
 None
 1.33A 4kyaD-5v6lH:
undetectable		 4kyaD-5v6lH:
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		5 VAL A  40
ALA A  42
SER A  67
LEU A  96
VAL A  73
 None
 1.34A 4kyaD-5vj1A:
undetectable		 4kyaD-5vj1A:
23.37
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.
5xa1 INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 VAL A 435
ALA A 438
ASP A 442
SER A 278
VAL A 239
 None
 1.34A 4kyaD-5xa1A:
undetectable		 4kyaD-5xa1A:
16.51
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.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN

(Deinococcus
radiodurans) 		no annotation 5 ALA A 251
SER A 376
LEU A 393
ARG A 277
VAL A 389
 None
 1.46A 4kyaD-5xevA:
undetectable		 4kyaD-5xevA:
22.41
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 ALA A 716
TRP A 719
PHE A 706
SER A 755
LEU A 747
 None
 1.40A 4kyaD-5xqoA:
undetectable		 4kyaD-5xqoA:
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.
5y3r X-RAY REPAIR
CROSS-COMPLEMENTING
PROTEIN 5
DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens;
Homo sapiens) 		PF02735
(Ku)
PF03730
(Ku_C)
PF03731
(Ku_N)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 ALA C 120
ASP B 299
SER C  72
LEU C  66
VAL C 114
 None
 1.29A 4kyaD-5y3rC:
undetectable		 4kyaD-5y3rC:
9.10
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.
6br6 NEURAMINIDASE

(Influenza A
virus) 		no annotation 5 VAL A 216
ALA A 201
TRP A 178
LEU A 255
VAL A 215
 None
 1.30A 4kyaD-6br6A:
undetectable		 4kyaD-6br6A:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 ALA B 215
SER B 407
LEU B 189
VAL B 212
THR B 414
 None
 1.25A 4kyaD-6btmB:
undetectable		 4kyaD-6btmB:
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.
6bwr PYRIDINIUM-3,5-BISTH
IOCARBOXYLIC ACID
MONONUCLEOTIDE
NICKEL INSERTION
PROTEIN

(Lactobacillus
plantarum) 		no annotation 5 VAL A 371
ALA A 389
PHE A 402
LEU A 410
VAL A 373
 None
 1.31A 4kyaD-6bwrA:
undetectable		 4kyaD-6bwrA:
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 5 ALA A 393
ASP A 180
PHE A 157
PHE A 155
ARG A 402
 None
 1.33A 4kyaD-6cboA:
undetectable		 4kyaD-6cboA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A   8
ASP A  28
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.44A 4kyaD-6cxmA:
4.1		 4kyaD-6cxmA:
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 5 ALA A 354
TRP A 273
PHE A 409
LEU A 360
THR A 355
 None
 1.43A 4kyaD-6d5iA:
undetectable		 4kyaD-6d5iA:
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.
6d6q EXOSOME COMPLEX
COMPONENT RRP42

(Homo sapiens) 		no annotation 5 VAL E 139
ALA E 106
SER E 153
LEU E 160
VAL E 137
 None
 1.21A 4kyaD-6d6qE:
undetectable		 4kyaD-6d6qE:
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.
6e4e -

(-) 		no annotation 5 ALA A   7
ASP A  27
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
None
None
MMV  A 202 (-4.3A)
 0.67A 4kyaD-6e4eA:
4.2		 4kyaD-6e4eA:
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 VAL A  70
ALA A  72
PHE A 242
VAL A 133
THR A  73
 None
None
GOL  A 503 (-4.0A)
None
None
 1.46A 4kyaD-6enoA:
undetectable		 4kyaD-6enoA:
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.
6f2x PROTEIN TYROSINE
KINASE A

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 258
ALA A 280
PHE A 267
ARG A 241
VAL A 257
 None
 1.45A 4kyaD-6f2xA:
undetectable		 4kyaD-6f2xA:
undetectable