SIMILAR PATTERNS OF AMINO ACIDS FOR 4KEB_B_FOLB202_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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.72A 4kebB-1cz3A:
15.9		 4kebB-1cz3A:
28.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		10 ILE A   7
ALA A   9
LEU A  22
PHE A  34
THR A  56
ILE A  60
ASN A  64
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.54A 4kebB-1dr6A:
32.5		 4kebB-1dr6A:
74.73
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 ILE A 302
ALA A 309
ILE A 244
LEU A 253
THR A 311
 None
 1.03A 4kebB-1pvgA:
undetectable		 4kebB-1pvgA:
16.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		11 ILE A   7
ALA A   9
PHE A  31
PHE A  34
GLN A  35
THR A  56
ILE A  60
ASN A  64
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
MTX  A 187 (-3.7A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.30A 4kebB-1u70A:
31.3		 4kebB-1u70A:
89.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		9 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
ASN A  64
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.5A)
None
None
MXA  A 187 (-4.3A)
 0.42A 4kebB-1u71A:
32.1		 4kebB-1u71A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
PHE A  31
THR A  56
ILE A  60
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-4.3A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 1.35A 4kebB-1u71A:
32.1		 4kebB-1u71A:
99.46
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.
1ur1 ENDOXYLANASE

(Cellvibrio
mixtus) 		PF00331
(Glyco_hydro_10) 		5 ILE A 241
LEU A 263
PHE A 312
ILE A 322
ASN A  34
 None
 1.05A 4kebB-1ur1A:
undetectable		 4kebB-1ur1A:
18.32
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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU A  25
THR A   7
ILE A   5
LEU A 253
THR A 234
 None
 1.13A 4kebB-1z5vA:
undetectable		 4kebB-1z5vA:
16.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A  46
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.52A 4kebB-1zdrA:
20.1		 4kebB-1zdrA:
33.51
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.58A 4kebB-2blbA:
21.9		 4kebB-2blbA:
29.55
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.
2ejx STK_08120

(Sulfurisphaera
tokodaii) 		PF11485
(DUF3211) 		5 ILE A  20
PHE A  26
ILE A  31
ASN A 115
LEU A 119
 None
 1.08A 4kebB-2ejxA:
undetectable		 4kebB-2ejxA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 303
LEU A 164
PHE A 285
PHE A 250
LEU A 351
 None
 1.09A 4kebB-2f3oA:
undetectable		 4kebB-2f3oA:
13.78
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
THR A  80
ILE A  84
LEU A  91
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.33A 4kebB-2h2qA:
21.9		 4kebB-2h2qA:
18.18
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ALA A  43
LEU A 260
PHE A 185
ILE A 181
LEU A 174
 None
 1.04A 4kebB-2nwhA:
undetectable		 4kebB-2nwhA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.57A 4kebB-2oipA:
22.5		 4kebB-2oipA:
17.88
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.
2pef SERINE PROTEASE
INHIBITOR

(Caldanaerobacter
subterraneus) 		PF00079
(Serpin) 		5 LEU A 313
PHE A 401
ASN A  80
LEU A  82
TYR A 267
 None
 1.14A 4kebB-2pefA:
undetectable		 4kebB-2pefA:
19.83
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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		5 ILE A 131
GLN A 110
THR A 319
ILE A 241
LEU A  75
 None
 0.98A 4kebB-2phlA:
undetectable		 4kebB-2phlA:
18.20
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.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 381
ALA A 376
GLN A 351
ILE A 442
LEU A 350
 None
 1.10A 4kebB-2qf7A:
undetectable		 4kebB-2qf7A:
10.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  21
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.92A 4kebB-2qk8A:
21.0		 4kebB-2qk8A:
33.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		5 ILE A 186
ALA A  57
THR A 180
ILE A 126
LEU A 122
 ILE  A 186 ( 0.7A)
ALA  A  57 ( 0.0A)
THR  A 180 ( 0.8A)
ILE  A 126 ( 0.6A)
LEU  A 122 ( 0.6A)
 1.11A 4kebB-2rciA:
undetectable		 4kebB-2rciA:
23.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
PHE A  35
THR A  50
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.23A 4kebB-2w3wA:
21.8		 4kebB-2w3wA:
32.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.69A 4kebB-2w9sA:
20.6		 4kebB-2w9sA:
32.45
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.
2y0n MALE-SPECIFIC LETHAL
3 HOMOLOG

(Homo sapiens) 		PF05712
(MRG) 		5 ILE A 174
LEU A 456
PHE A 487
PHE A 484
THR A 264
 None
 0.92A 4kebB-2y0nA:
undetectable		 4kebB-2y0nA:
23.50
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.
2zxh TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Aquifex
aeolicus) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 LEU A 372
PHE A 187
THR A 149
ILE A 130
THR A 156
 None
None
None
None
FAD  A 618 (-4.4A)
 0.96A 4kebB-2zxhA:
undetectable		 4kebB-2zxhA:
15.05
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ALA X 161
LEU X 208
GLN X 124
ILE X 131
LEU X 127
 None
 1.14A 4kebB-3b8aX:
undetectable		 4kebB-3b8aX:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bwt PROTEIN PUF4

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 ILE A 716
LEU A 694
PHE A 706
LEU A 745
THR A 677
 None
 0.90A 4kebB-3bwtA:
undetectable		 4kebB-3bwtA:
21.95
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.
3d7n FLAVODOXIN,
WRBA-LIKE PROTEIN

(Agrobacterium
fabrum) 		PF03358
(FMN_red) 		5 ILE A  38
LEU A 114
PHE A  76
ILE A  58
LEU A  52
 None
 1.08A 4kebB-3d7nA:
undetectable		 4kebB-3d7nA:
21.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
LEU A  19
PHE A  30
THR A  45
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.49A 4kebB-3dfrA:
21.1		 4kebB-3dfrA:
31.22
Potential target for repurposing, i.e. matched protein structure has less than 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) 		8 ILE A  14
ALA A  16
LEU A  46
PHE A  58
ILE A 112
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.48A 4kebB-3dg8A:
22.4		 4kebB-3dg8A:
25.45
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 ILE A 557
PHE A 503
THR A 545
LEU A 471
THR A 521
 None
 1.07A 4kebB-3djaA:
undetectable		 4kebB-3djaA:
16.73
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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.07A 4kebB-3dwoX:
undetectable		 4kebB-3dwoX:
19.20
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 ALA A 112
PHE A 204
THR A 200
ILE A  88
LEU A 139
 None
 1.01A 4kebB-3emvA:
undetectable		 4kebB-3emvA:
19.84
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.
3gbz KINASE, CMGC CDK

(Giardia
intestinalis) 		PF00069
(Pkinase) 		5 ALA A 165
LEU A  66
ILE A 157
LEU A 137
TYR A  26
 None
 1.06A 4kebB-3gbzA:
undetectable		 4kebB-3gbzA:
22.59
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
THR X  46
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
NDP  X 207 (-3.2A)
None
None
N22  X 219 (-4.4A)
 0.77A 4kebB-3i8aX:
20.3		 4kebB-3i8aX:
29.19
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
THR X  46
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.74A 4kebB-3i8aX:
20.3		 4kebB-3i8aX:
29.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.61A 4kebB-3ia4A:
20.7		 4kebB-3ia4A:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ILE A   8
ALA A  10
LEU A  23
PHE A  34
THR A  49
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.81A 4kebB-3ix9A:
20.9		 4kebB-3ix9A:
32.67
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.54A 4kebB-3kjrA:
23.0		 4kebB-3kjrA:
23.28
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.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 LEU A 272
PHE A 356
PHE A 358
ASN A  29
TYR A 226
 None
 1.08A 4kebB-3ndaA:
undetectable		 4kebB-3ndaA:
19.83
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.
3onk EPSIN-3

(Saccharomyces
cerevisiae) 		PF01417
(ENTH) 		5 ILE A  87
ALA A  90
PHE A  73
ASN A 114
THR A  40
 None
 1.01A 4kebB-3onkA:
undetectable		 4kebB-3onkA:
21.88
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.
3orh GUANIDINOACETATE
N-METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 ILE A 132
ALA A  57
GLN A 148
ILE A 207
LEU A 197
 None
 1.12A 4kebB-3orhA:
undetectable		 4kebB-3orhA:
20.85
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.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		5 ILE D  41
ALA D   7
ILE D  18
LEU D  60
THR D  43
 None
 1.11A 4kebB-3ossD:
undetectable		 4kebB-3ossD:
23.04
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		5 ILE A  90
PHE A  53
GLN A  85
ILE A  75
ASN A  79
 None
 0.96A 4kebB-3p13A:
undetectable		 4kebB-3p13A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
THR A  86
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
WRA  A 602 (-4.2A)
 0.48A 4kebB-3rg9A:
22.0		 4kebB-3rg9A:
28.98
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
LEU A  21
PHE A  32
THR A  47
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.61A 4kebB-3tq9A:
21.1		 4kebB-3tq9A:
29.50
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 LEU A 117
GLN A 257
LEU A 166
TYR A 247
THR A  76
 CRK  A 214 ( 4.2A)
NFA  A 213 ( 3.8A)
NFA  A 213 ( 3.7A)
None
CRK  A 214 ( 4.6A)
 1.03A 4kebB-3u0kA:
undetectable		 4kebB-3u0kA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
LEU A  46
PHE A  58
THR A 108
ILE A 112
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.56A 4kebB-3um6A:
22.3		 4kebB-3um6A:
13.98
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 275
PHE A 358
PHE A 360
ASN A  31
TYR A 228
 None
 1.02A 4kebB-3ut3A:
undetectable		 4kebB-3ut3A:
18.46
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 275
PHE A 358
PHE A 360
GLN A 375
TYR A 228
 None
 1.08A 4kebB-3ut3A:
undetectable		 4kebB-3ut3A:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  32
THR A  53
ILE A  57
LEU A  64
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.68A 4kebB-3vcoA:
23.8		 4kebB-3vcoA:
36.62
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.
3wya ELONGATION FACTOR
1-ALPHA

(Pyrococcus
horikoshii) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ILE A  24
PHE A  12
THR A 142
ILE A 140
LEU A 207
 None
 1.03A 4kebB-3wyaA:
undetectable		 4kebB-3wyaA:
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 ILE B1400
ALA B1402
PHE B1312
ILE B1319
TYR B1389
 None
 1.14A 4kebB-3zefB:
undetectable		 4kebB-3zefB:
8.11
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.
3zil AAR187CP

(Eremothecium
gossypii) 		PF16997
(Wap1) 		5 LEU A 405
PHE A 394
ILE A 471
ASN A 470
LEU A 424
 None
 1.07A 4kebB-3zilA:
undetectable		 4kebB-3zilA:
19.07
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX BETA-CHAIN
FADA

(Mycobacterium
tuberculosis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE C 399
ALA C 397
LEU C  96
ILE C   7
THR C 307
 None
 1.11A 4kebB-4b3iC:
undetectable		 4kebB-4b3iC:
17.46
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
LEU A 389
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 1.14A 4kebB-4d7sA:
undetectable		 4kebB-4d7sA:
18.01
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.
4dy0 GLIA-DERIVED NEXIN

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 274
PHE A 358
PHE A 360
ASN A  31
TYR A 227
 None
 1.09A 4kebB-4dy0A:
undetectable		 4kebB-4dy0A:
19.58
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.
4fnv HEPARINASE III
PROTEIN, HEPARITIN
SULFATE LYASE

(Bacteroides
thetaiotaomicron) 		PF07940
(Hepar_II_III)
PF16889
(Hepar_II_III_N) 		5 ILE A 215
ALA A 270
LEU A 293
GLN A 208
LEU A 209
 None
 1.07A 4kebB-4fnvA:
undetectable		 4kebB-4fnvA:
15.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		10 ILE X  10
ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
ASN X  69
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
TOP  X 301 (-4.5A)
 0.49A 4kebB-4g8zX:
25.6		 4kebB-4g8zX:
37.38
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 ILE A 302
ALA A 309
ILE A 244
LEU A 253
THR A 311
 None
 1.06A 4kebB-4gfhA:
undetectable		 4kebB-4gfhA:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gl0 LMO0810 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		5 ILE A  46
LEU A  37
PHE A  54
ILE A 282
ASN A 283
 None
 1.06A 4kebB-4gl0A:
undetectable		 4kebB-4gl0A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gul PIRIN

(Homo sapiens) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 ILE A 152
PHE A  42
ILE A 197
LEU A  68
THR A 169
 None
 0.97A 4kebB-4gulA:
undetectable		 4kebB-4gulA:
22.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.59A 4kebB-4h96A:
20.9		 4kebB-4h96A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 (-4.2A)
 0.51A 4kebB-4h98A:
21.9		 4kebB-4h98A:
37.56
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		5 LEU A 327
PHE A 261
ILE A 385
LEU A 367
THR A 377
 None
 1.05A 4kebB-4hz8A:
undetectable		 4kebB-4hz8A:
18.74
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		5 ILE A 377
ALA A 537
LEU A 521
THR A 337
ILE A 335
 HEC  A 807 ( 4.4A)
None
None
None
None
 1.08A 4kebB-4lm8A:
undetectable		 4kebB-4lm8A:
13.75
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.
4lmo TELOMERASE REVERSE
TRANSCRIPTASE

(Takifugu
rubripes) 		PF12009
(Telomerase_RBD) 		5 ILE A 334
LEU A 315
PHE A 366
ILE A 424
LEU A 428
 None
 1.13A 4kebB-4lmoA:
undetectable		 4kebB-4lmoA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvr INTRAFLAGELLAR
TRANSPORT PROTEIN 81

(Chlamydomonas
reinhardtii) 		no annotation 5 ILE A  44
LEU A  36
PHE A  41
ILE A  99
LEU A  69
 None
 1.14A 4kebB-4lvrA:
undetectable		 4kebB-4lvrA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
LEU A  57
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
TMQ  A 202 (-4.2A)
 0.41A 4kebB-4m2xA:
20.8		 4kebB-4m2xA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  20
PHE A  31
THR A  46
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.82A 4kebB-4m7vA:
20.1		 4kebB-4m7vA:
31.96
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.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU H 724
GLN H 693
THR H 707
ILE H 703
LEU H 669
 None
 1.12A 4kebB-4nl4H:
undetectable		 4kebB-4nl4H:
13.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.39A 4kebB-4p68A:
20.6		 4kebB-4p68A:
31.91
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.
4pav GLYOXALASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		5 ALA A  18
LEU A  50
PHE A  26
ILE A  73
LEU A  75
 None
 1.01A 4kebB-4pavA:
undetectable		 4kebB-4pavA:
21.13
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.
4u65 PUTATIVE CYSTINE
PROTEASE

(Pseudomonas
fluorescens) 		PF06035
(Peptidase_C93) 		5 ALA E 141
LEU E 128
PHE E 101
GLN E  86
ASN E  81
 None
 0.89A 4kebB-4u65E:
undetectable		 4kebB-4u65E:
23.94
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 738
LEU A 696
PHE A 713
ILE A 667
TYR A 754
 None
 1.04A 4kebB-4xriA:
undetectable		 4kebB-4xriA:
12.97
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.
4xtb CALCIUM UNIPORTER
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 LEU A 112
PHE A 149
ILE A 141
LEU A 145
THR A 157
 None
 1.11A 4kebB-4xtbA:
undetectable		 4kebB-4xtbA:
19.59
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.
4ydo UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF00432
(Prenyltrans) 		5 ILE B 318
PHE B 300
THR B 326
ILE B 342
LEU B 382
 None
 1.13A 4kebB-4ydoB:
undetectable		 4kebB-4ydoB:
14.97
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 ILE A 136
ALA A 118
GLN A 104
ASN A 148
THR A 116
 None
 1.07A 4kebB-4yhsA:
2.0		 4kebB-4yhsA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnz GLUTAMINE--TRNA
LIGASE

(Pseudomonas
aeruginosa) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 ALA A  46
LEU A 263
PHE A 311
THR A 268
ILE A 326
 None
 1.02A 4kebB-5bnzA:
undetectable		 4kebB-5bnzA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bth DECAPPING NUCLEASE
RAI1

(Candida
albicans) 		PF08652
(RAI1) 		5 ILE A 120
LEU A 273
THR A 101
ILE A  99
LEU A 335
 None
 1.02A 4kebB-5bthA:
undetectable		 4kebB-5bthA:
20.69
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.64A 4kebB-5dxvA:
12.6		 4kebB-5dxvA:
27.84
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.88A 4kebB-5ecxA:
20.1		 4kebB-5ecxA:
27.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.49A 4kebB-5fdaA:
14.1		 4kebB-5fdaA:
31.44
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.
5fii PHENYLALANINE-4-HYDR
OXYLASE

(Homo sapiens) 		PF01842
(ACT) 		5 ILE A  94
LEU A  41
PHE A  55
ILE A  65
LEU A  62
 None
None
None
PHE  A 901 ( 4.3A)
PHE  A 901 (-3.6A)
 1.10A 4kebB-5fiiA:
undetectable		 4kebB-5fiiA:
21.79
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.
5fwx GLUTAMATE RECEPTOR 4

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		6 ILE B 204
ALA B 236
LEU B 358
ILE B 226
ASN B 220
LEU B 197
 None
 1.50A 4kebB-5fwxB:
undetectable		 4kebB-5fwxB:
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.
5gpl PUTATIVE NUCLEOSOME
ASSEMBLY PROTEIN
C36B7.08C

(Schizosaccharomyces
pombe) 		PF00956
(NAP) 		5 ALA A 200
PHE A  49
ILE A  79
ASN A  78
LEU A  76
 None
 1.12A 4kebB-5gplA:
undetectable		 4kebB-5gplA:
22.30
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.
5gvi UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Danio rerio) 		PF00443
(UCH) 		5 ILE A 270
LEU A 313
PHE A 244
ILE A 319
LEU A 249
 None
 1.09A 4kebB-5gviA:
undetectable		 4kebB-5gviA:
18.52
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.
5h9h ACYL CARRIER PROTEIN

(Helicobacter
pylori) 		PF00550
(PP-binding) 		5 ILE A  54
LEU A   3
PHE A  50
ILE A  11
LEU A  42
 None
 1.12A 4kebB-5h9hA:
undetectable		 4kebB-5h9hA:
18.68
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.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.10A 4kebB-5husA:
2.8		 4kebB-5husA:
22.15
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.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 ILE A1347
GLN A1354
ILE A1427
LEU A1357
TYR A1080
 None
 1.13A 4kebB-5i6eA:
undetectable		 4kebB-5i6eA:
12.48
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.
5ohk UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
30,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
30,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Homo sapiens) 		PF00443
(UCH) 		5 ILE A 274
LEU A 317
PHE A 248
ILE A 323
LEU A 253
 None
 1.05A 4kebB-5ohkA:
undetectable		 4kebB-5ohkA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
LEU A  23
PHE A  32
PHE A  35
THR A  83
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.38A 4kebB-5t0lA:
24.0		 4kebB-5t0lA:
16.02
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.
5wch PROBABLE UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE FAF-X

(Homo sapiens) 		no annotation 5 ILE A1744
ALA A1948
PHE A1921
PHE A1816
GLN A1748
 None
 1.11A 4kebB-5wchA:
undetectable		 4kebB-5wchA:
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.
5wut ULAM111

(Flavobacterium
sp.) 		no annotation 5 ALA A  87
PHE A  13
THR A  74
ILE A  72
LEU A  18
 None
 1.13A 4kebB-5wutA:
undetectable		 4kebB-5wutA:
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
THR A 362
ILE A 366
 None
 1.09A 4kebB-6aonA:
undetectable		 4kebB-6aonA:
16.81
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.
6ar2 SARCOLEMMAL
MEMBRANE-ASSOCIATED
PROTEIN

(Homo sapiens) 		no annotation 5 ILE A  30
LEU A 127
GLN A  70
ILE A  80
LEU A  85
 None
 1.09A 4kebB-6ar2A:
undetectable		 4kebB-6ar2A:
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.
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus) 		no annotation 5 LEU A 159
PHE A 142
PHE A 141
ILE A  51
LEU A  41
 None
None
None
None
IOD  A 403 ( 4.8A)
 1.10A 4kebB-6b4mA:
undetectable		 4kebB-6b4mA:
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.
6bqw BACTERIAL ACTIN ALFA

(Bacillus
subtilis) 		no annotation 5 ILE A  86
PHE A 122
THR A  14
ILE A   7
LEU A  92
 None
 1.09A 4kebB-6bqwA:
undetectable		 4kebB-6bqwA:
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 7 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.46A 4kebB-6cxmA:
20.3		 4kebB-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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
THR A  46
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.75A 4kebB-6e4eA:
20.5		 4kebB-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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 6 ILE A 292
ALA A 300
LEU A 277
GLN A 217
ILE A 252
LEU A 219
 None
 1.35A 4kebB-6eojA:
undetectable		 4kebB-6eojA:
8.35