SIMILAR PATTERNS OF AMINO ACIDS FOR 4KOT_A_CE3A205_1

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.
1ghs 1,3-BETA-GLUCANASE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		5 GLY A  92
ASN A  93
ILE A 103
TYR A 148
LEU A 156
 None
 1.33A 4kotA-1ghsA:
0.0		 4kotA-1ghsA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 PRO A 195
GLY A  18
ASN A 152
PHE A  55
LEU A  59
 GDP  A 500 (-4.3A)
GDP  A 500 (-3.2A)
GDP  A 500 (-3.2A)
None
None
 1.48A 4kotA-1jnyA:
undetectable		 4kotA-1jnyA:
17.63
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		5 CYH A  48
PRO A 398
GLY A   8
ILE A  10
LEU A 361
 None
 1.44A 4kotA-1k1dA:
0.0		 4kotA-1k1dA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nw5 MODIFICATION
METHYLASE RSRI

(Rhodobacter
sphaeroides) 		PF01555
(N6_N4_Mtase) 		5 GLY A 106
ILE A 159
PHE A 162
ARG A 127
LEU A 134
 None
 1.09A 4kotA-1nw5A:
0.0		 4kotA-1nw5A:
22.87
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.
1tkl COPROPORPHYRINOGEN
III OXIDASE

(Saccharomyces
cerevisiae) 		PF01218
(Coprogen_oxidas) 		5 PHE A 269
ARG A 135
GLY A 153
ASN A 133
ILE A 211
 None
 1.09A 4kotA-1tklA:
undetectable		 4kotA-1tklA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tu7 GLUTATHIONE
S-TRANSFERASE 2

(Onchocerca
volvulus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 ARG A  95
GLY A  64
ILE A  60
ARG A  18
LEU A   5
 GSH  A1001 (-3.6A)
None
None
None
None
 1.38A 4kotA-1tu7A:
undetectable		 4kotA-1tu7A:
22.07
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.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE

(Bacillus
anthracis) 		PF00809
(Pterin_bind) 		6 PRO A 212
GLY A 249
ASN A 207
ILE A 246
PHE A 252
LEU A  21
 None
 1.49A 4kotA-1twwA:
0.4		 4kotA-1twwA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A 111
ASN A 178
ILE A 201
TYR A 202
LEU A 278
 KCX  A 198 ( 3.9A)
None
KCX  A 198 ( 3.6A)
None
None
 1.17A 4kotA-1uagA:
0.0		 4kotA-1uagA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vjg PUTATIVE LIPASE FROM
THE G-D-S-L FAMILY

(Nostoc sp. PCC
7120) 		PF13472
(Lipase_GDSL_2) 		5 CYH A  27
PRO A  25
ARG A  33
TYR A 188
GLY A  29
 None
 1.41A 4kotA-1vjgA:
0.6		 4kotA-1vjgA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		5 TYR A  34
GLY A  32
ASN A  77
ILE A 321
PHE A  28
 None
 1.24A 4kotA-1wzaA:
undetectable		 4kotA-1wzaA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aeg HYPOTHETICAL PROTEIN
AGR_PAT_140

(Agrobacterium
fabrum) 		PF02586
(SRAP) 		5 PHE A 154
PRO A 121
TYR A  30
GLY A  38
ILE A  24
 None
 1.07A 4kotA-2aegA:
undetectable		 4kotA-2aegA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aeg HYPOTHETICAL PROTEIN
AGR_PAT_140

(Agrobacterium
fabrum) 		PF02586
(SRAP) 		5 PHE A 154
PRO A 121
TYR A  30
GLY A  38
LEU A  51
 None
 1.49A 4kotA-2aegA:
undetectable		 4kotA-2aegA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bf6 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF13088
(BNR_2) 		5 CYH A 657
GLY A 667
ILE A 681
ARG A 302
LEU A 254
 None
 1.29A 4kotA-2bf6A:
undetectable		 4kotA-2bf6A:
15.02
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.
2bjs ISOPENICILLIN N
SYNTHETASE

(Aspergillus
nidulans) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 GLY A 254
ILE A 220
PHE A  41
TYR A 160
LEU A 250
 None
 1.36A 4kotA-2bjsA:
undetectable		 4kotA-2bjsA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bm3 SCAFFOLDING DOCKERIN
BINDING PROTEIN A

(Ruminiclostridium
thermocellum) 		PF00963
(Cohesin) 		5 GLY A 146
ASN A  42
ILE A 144
PHE A 150
TYR A 160
 None
None
None
IPA  A1167 ( 4.5A)
None
 1.24A 4kotA-2bm3A:
undetectable		 4kotA-2bm3A:
23.73
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.
2ckf RING-HYDROXYLATING
DIOXYGENASE BETA
SUBUNIT

(Sphingomonas
sp. CHY-1) 		PF00866
(Ring_hydroxyl_B) 		5 GLY B  30
ILE B  99
PHE B 173
TYR B 101
ARG B  84
 None
 1.36A 4kotA-2ckfB:
undetectable		 4kotA-2ckfB:
25.52
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.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 300
ASN A 149
ILE A 161
PHE A 107
LEU A 213
 None
 1.21A 4kotA-2jamA:
undetectable		 4kotA-2jamA:
20.41
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.
2jam CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1G

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 300
PRO A 147
ASN A 149
PHE A 107
LEU A 213
 None
 1.47A 4kotA-2jamA:
undetectable		 4kotA-2jamA:
20.41
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.
2l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF04433
(SWIRM) 		5 PHE A  25
GLY A  31
PHE A  39
ARG A  80
LEU A  77
 None
 1.39A 4kotA-2l3dA:
undetectable		 4kotA-2l3dA:
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.
2l4r POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 2

(Homo sapiens) 		PF13426
(PAS_9) 		5 PHE A 106
GLY A  47
ILE A  30
PHE A  98
LEU A  69
 None
 1.41A 4kotA-2l4rA:
undetectable		 4kotA-2l4rA:
25.00
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.
2n3w 26S PROTEASOME
REGULATORY SUBUNIT
RPN1

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep) 		5 CYH A 538
GLY A 540
ILE A 546
PHE A 534
LEU A 506
 None
 1.45A 4kotA-2n3wA:
undetectable		 4kotA-2n3wA:
21.69
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		5 PRO A 415
TYR A 418
GLY A 148
TYR A 114
LEU A  81
 None
 1.44A 4kotA-2vx4A:
undetectable		 4kotA-2vx4A:
18.10
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 PRO A 427
ARG A 176
PHE A 308
ARG A 306
LEU A 309
 None
 1.43A 4kotA-3a2qA:
0.2		 4kotA-3a2qA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c41 AMINO ACID ABC
TRANSPORTER (ARTP)

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 PRO J  35
GLY J  39
ILE J  20
PHE J 208
ARG J 231
 None
ANP  J 601 (-3.2A)
None
None
None
 1.16A 4kotA-3c41J:
undetectable		 4kotA-3c41J:
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.
3d8m BASEPLATE PROTEIN,
RECEPTOR BINDING
PROTEIN

(Lactococcus
phage TP901-1;
Lactococcus
virus P2) 		PF08931
(Caudo_bapla_RBP) 		5 PHE A 132
TYR A 162
ILE A  88
PHE A  91
LEU A  77
 None
 1.43A 4kotA-3d8mA:
undetectable		 4kotA-3d8mA:
18.64
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.
3da0 CLEAVED CHIMERIC
RECEPTOR BINDING
PROTEIN FROM
BACTERIOPHAGES
TP901-1 AND P2

(Lactococcus
phage TP901-1;
Lactococcus
virus P2) 		PF08931
(Caudo_bapla_RBP) 		5 PHE A 132
TYR A 162
ILE A  88
PHE A  91
LEU A  77
 None
 1.46A 4kotA-3da0A:
undetectable		 4kotA-3da0A:
19.76
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.
3dsm UNCHARACTERIZED
PROTEIN BACUNI_02894

(Bacteroides
uniformis) 		no annotation 5 PHE A 227
ILE A 135
TYR A 112
ARG A 167
LEU A 169
 None
 1.36A 4kotA-3dsmA:
undetectable		 4kotA-3dsmA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ehc SNOAL-LIKE
POLYKETIDE CYCLASE

(Agrobacterium
fabrum) 		PF07366
(SnoaL) 		5 ARG A  36
ILE A 110
TYR A 103
ARG A  44
LEU A  23
 SO4  A 130 (-3.7A)
None
None
None
None
 1.33A 4kotA-3ehcA:
undetectable		 4kotA-3ehcA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ehm SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 PHE A 155
PRO A 140
GLY A 509
ILE A 512
PHE A 489
 None
 1.46A 4kotA-3ehmA:
undetectable		 4kotA-3ehmA:
14.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fvb BACTERIOFERRITIN

(Brucella
abortus) 		PF00210
(Ferritin) 		5 PRO A  76
ARG A  78
GLY A  93
PHE A  16
TYR A 101
 None
 1.29A 4kotA-3fvbA:
undetectable		 4kotA-3fvbA:
22.45
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 PHE A 342
ARG A 194
GLY A 112
ASN A 110
PHE A 330
 HBX  A 530 ( 4.7A)
None
FAD  A 522 (-3.9A)
FAD  A 522 (-4.2A)
HBX  A 530 (-4.0A)
 1.43A 4kotA-3gdnA:
undetectable		 4kotA-3gdnA:
14.75
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.
3ht4 ALUMINUM RESISTANCE
PROTEIN

(Bacillus cereus) 		PF06838
(Met_gamma_lyase) 		5 PHE A 213
PRO A 235
GLY A 244
ILE A 246
PHE A  78
 None
 1.34A 4kotA-3ht4A:
undetectable		 4kotA-3ht4A:
16.28
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.
3ik4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Herpetosiphon
aurantiacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PRO A 324
GLY A 295
ILE A 293
PHE A 336
LEU A 343
 None
 0.95A 4kotA-3ik4A:
undetectable		 4kotA-3ik4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3irz URO-ADHERENCE FACTOR
A

(Staphylococcus
saprophyticus) 		PF17210
(SdrD_B) 		5 PRO A 729
GLY A 473
ILE A 476
TYR A 495
LEU A 734
 None
 1.31A 4kotA-3irzA:
undetectable		 4kotA-3irzA:
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.
3jb8 COAT PROTEIN

(Maize chlorotic
mottle virus) 		PF00729
(Viral_coat) 		5 PHE A 168
CYH A  71
PRO A 190
ILE A 211
PHE A 103
 None
 1.44A 4kotA-3jb8A:
1.0		 4kotA-3jb8A:
22.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		6 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
None
EDO  A 176 ( 4.8A)
 1.31A 4kotA-3kkwA:
31.9		 4kotA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		5 CYH A  29
PRO A  31
ARG A  49
ASN A  80
PHE A  27
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 ( 4.3A)
EDO  A 171 ( 4.5A)
 1.41A 4kotA-3kkwA:
31.9		 4kotA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		12 PHE A  27
CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 EDO  A 171 ( 4.5A)
EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
None
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.36A 4kotA-3kkwA:
31.9		 4kotA-3kkwA:
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.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ARG A  71
GLY A 427
ILE A 431
PHE A 148
TYR A 236
 None
 1.33A 4kotA-3lewA:
undetectable		 4kotA-3lewA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA

(Archaeoglobus
fulgidus) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 PRO A 102
GLY A 134
ILE A 137
PHE A 160
LEU A 115
 None
SRM  A 580 (-4.1A)
None
None
None
 1.05A 4kotA-3mm5A:
undetectable		 4kotA-3mm5A:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 PRO A  70
GLY A 181
PHE A  72
ARG A  98
LEU A  94
 None
 1.36A 4kotA-3n0tA:
undetectable		 4kotA-3n0tA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n92 ALPHA-AMYLASE, GH57
FAMILY

(Thermococcus
kodakarensis) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 PRO A 248
GLY A 347
ILE A 349
PHE A 259
LEU A 386
 None
 1.43A 4kotA-3n92A:
undetectable		 4kotA-3n92A:
13.84
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 PHE A 212
GLY A 204
ASN A 207
ILE A 239
PHE A 233
 None
 1.47A 4kotA-3omnA:
0.5		 4kotA-3omnA:
14.74
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.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		5 PRO A 322
GLY A 352
ASN A 320
ILE A 372
ARG A 362
 None
 1.48A 4kotA-3q3vA:
undetectable		 4kotA-3q3vA:
16.87
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 PHE A 343
ARG A 194
GLY A 112
ASN A 110
PHE A 331
 None
None
FAD  A 773 (-3.9A)
FAD  A 773 (-4.3A)
None
 1.42A 4kotA-3redA:
undetectable		 4kotA-3redA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rw9 SPERMIDINE SYNTHASE

(Homo sapiens) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 CYH A 205
TYR A 233
GLY A 207
ILE A 246
TYR A  79
 None
None
None
None
DSH  A 303 ( 4.9A)
 1.27A 4kotA-3rw9A:
0.8		 4kotA-3rw9A:
19.75
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.
3s5s MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sorangium
cellulosum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PRO A 327
GLY A 298
ILE A 296
PHE A 339
LEU A 346
 None
 1.01A 4kotA-3s5sA:
undetectable		 4kotA-3s5sA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 PRO A  30
ARG A  48
GLY A  67
PHE A 168
LEU A 172
 None
 1.31A 4kotA-3sl1A:
undetectable		 4kotA-3sl1A:
16.13
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.
3vte TETRAHYDROCANNABINOL
IC ACID SYNTHASE

(Cannabis sativa) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 188
ASN A 483
ILE A 431
PHE A 511
LEU A 518
 None
FAD  A 607 (-3.3A)
None
None
None
 1.13A 4kotA-3vteA:
undetectable		 4kotA-3vteA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 PRO A 432
TYR A 426
GLY A 184
ILE A 416
PHE A 181
 None
 0.88A 4kotA-4c51A:
undetectable		 4kotA-4c51A:
12.98
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.
4cok PYRUVATE
DECARBOXYLASE

(Gluconacetobacter
diazotrophicus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PRO A 426
TYR A  60
GLY A 420
ASN A 421
ILE A  45
 None
 1.29A 4kotA-4cokA:
undetectable		 4kotA-4cokA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		5 TYR A 337
GLY A 338
ASN A 339
ARG A 232
LEU A 233
 None
 0.96A 4kotA-4cp6A:
undetectable		 4kotA-4cp6A:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		5 ARG A 287
GLY A 152
ASN A 291
ARG A 295
LEU A 337
 None
 1.39A 4kotA-4eb5A:
undetectable		 4kotA-4eb5A:
17.02
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 5 PHE A 664
GLY A 618
ASN A 639
PHE A 643
LEU A 626
 None
 1.47A 4kotA-4ecoA:
undetectable		 4kotA-4ecoA:
14.67
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.
4ezi UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 5 PHE A 269
GLY A 309
ILE A 311
PHE A 302
LEU A 248
 None
None
None
None
PEG  A 501 ( 4.8A)
 1.34A 4kotA-4eziA:
2.8		 4kotA-4eziA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pel PENICILLIN G ACYLASE
SUBUNIT ALPHA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 PRO A  75
GLY A 140
ASN A 144
ILE A 137
PHE A 132
 None
 1.34A 4kotA-4pelA:
undetectable		 4kotA-4pelA:
19.74
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.
4tqv ALGM1

(Sphingomonas
sp.) 		PF00528
(BPD_transp_1) 		5 PRO A 112
GLY A 104
ILE A 253
PHE A 111
LEU A 246
 None
 1.50A 4kotA-4tqvA:
undetectable		 4kotA-4tqvA:
18.60
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.
4xhj ENVELOPE
GLYCOPROTEIN H
ENVELOPE
GLYCOPROTEIN L

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF05259
(Herpes_UL1)
PF17488
(Herpes_glycoH_C) 		5 PHE A 149
PRO B 143
GLY A 313
ASN A 317
LEU A 226
 None
 1.09A 4kotA-4xhjA:
0.0		 4kotA-4xhjA:
11.97
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.
4z17 ENOLASE

(Chloroflexus
aurantiacus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 PHE A 199
PRO A 211
GLY A 208
ILE A 150
LEU A 222
 None
 1.40A 4kotA-4z17A:
undetectable		 4kotA-4z17A:
18.02
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.
5afu DYNACTIN

(Sus scrofa) 		PF00022
(Actin) 		5 PRO A  11
GLY A  27
ILE A 346
PHE A 353
LEU A 109
 None
 1.45A 4kotA-5afuA:
undetectable		 4kotA-5afuA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5avo HOMOSERINE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ARG A 140
GLY A 124
ILE A  97
PHE A 109
TYR A  87
 None
 1.42A 4kotA-5avoA:
undetectable		 4kotA-5avoA:
19.00
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.
5c2i ALR1585 PROTEIN

(Nostoc sp. PCC
7120) 		PF04261
(Dyp_perox) 		5 GLY A 423
ASN A 407
ILE A 449
PHE A 387
ARG A 365
 None
None
HEM  A 501 (-4.1A)
HEM  A 501 (-4.0A)
HEM  A 501 (-2.7A)
 1.45A 4kotA-5c2iA:
undetectable		 4kotA-5c2iA:
15.72
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA2

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 PHE B   5
GLY B 221
ILE B 224
PHE B  28
LEU B 216
 None
 1.34A 4kotA-5d3mB:
undetectable		 4kotA-5d3mB:
21.28
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.
5fn4 NICASTRIN

(Homo sapiens) 		PF05450
(Nicastrin) 		5 ARG A 117
TYR A  94
GLY A  89
PHE A 210
LEU A 212
 None
 1.08A 4kotA-5fn4A:
undetectable		 4kotA-5fn4A:
12.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 PRO A 253
TYR A 651
GLY A 652
ASN A 653
ILE A 660
 None
 1.39A 4kotA-5fokA:
undetectable		 4kotA-5fokA:
11.59
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 GLY A 234
ASN A 180
ILE A 230
PHE A 238
TYR A 299
 None
 1.30A 4kotA-5g5zA:
undetectable		 4kotA-5g5zA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 PHE A 242
GLY A 234
ASN A 180
ILE A 230
PHE A 238
 None
 1.36A 4kotA-5g5zA:
undetectable		 4kotA-5g5zA:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gyl LEGUMIN-LIKE PROTEIN

(Cicer arietinum) 		PF00190
(Cupin_1) 		5 GLY A  96
ASN A  97
ILE A 160
PHE A  92
LEU A 386
 None
 1.30A 4kotA-5gylA:
undetectable		 4kotA-5gylA:
15.87
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.
5hy6 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5A

(Spodoptera
frugiperda) 		PF01287
(eIF-5a) 		5 PHE A  32
CYH A  40
GLY A  68
ARG A  88
LEU A 141
 None
 1.38A 4kotA-5hy6A:
undetectable		 4kotA-5hy6A:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5icl LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 PHE A 260
ARG A  96
GLY A 287
ILE A 291
LEU A 329
 None
 1.15A 4kotA-5iclA:
undetectable		 4kotA-5iclA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ipw OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 PHE A 287
GLY A 294
ILE A 292
ARG A 142
LEU A  74
 None
 1.40A 4kotA-5ipwA:
1.1		 4kotA-5ipwA:
13.05
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		5 TYR A 464
GLY A 400
ILE A 402
ARG A 393
LEU A 538
 None
 1.24A 4kotA-5jwfA:
undetectable		 4kotA-5jwfA:
13.92
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.
5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME

(Pseudomonas
savastanoi) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 PHE A 283
ARG A 321
GLY A  77
TYR A 126
LEU A 173
 ARG  A 403 ( 4.2A)
None
None
None
OGA  A 402 (-4.5A)
 1.50A 4kotA-5lunA:
undetectable		 4kotA-5lunA:
20.29
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.
5tdx ANCESTRAL
HYDROXYNITRILE LYASE
1

(synthetic
construct) 		no annotation 5 PRO A 108
GLY A  82
ILE A  12
ARG A 186
LEU A 183
 None
 1.28A 4kotA-5tdxA:
undetectable		 4kotA-5tdxA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		6 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
None
93M  A 207 (-4.9A)
 1.30A 4kotA-5vdbA:
32.0		 4kotA-5vdbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		12 PHE A  27
CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 None
93M  A 207 (-4.6A)
93M  A 207 (-4.0A)
93M  A 207 ( 4.3A)
93M  A 207 (-3.4A)
93M  A 207 (-3.5A)
None
None
None
93M  A 207 (-4.9A)
SO4  A 206 (-3.0A)
93M  A 207 (-4.6A)
 0.29A 4kotA-5vdbA:
32.0		 4kotA-5vdbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vdb ACETYLTRANSFERASE
PA4794

(Pseudomonas
aeruginosa) 		PF00583
(Acetyltransf_1) 		5 PHE A 118
CYH A  29
PRO A  31
ARG A  49
ASN A  80
 None
93M  A 207 (-4.6A)
93M  A 207 (-4.0A)
93M  A 207 ( 4.3A)
None
 1.32A 4kotA-5vdbA:
32.0		 4kotA-5vdbA:
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.
6bb4 MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
HEAVY CHAIN
MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
LIGHT CHAIN

(Mus musculus) 		no annotation 5 PHE L  36
PRO L  44
GLY L  41
PHE L  87
LEU H  45
 None
 1.16A 4kotA-6bb4L:
undetectable		 4kotA-6bb4L:
16.46
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.
6bo6 -

(-) 		no annotation 5 PHE A 549
GLY A 506
PHE A 514
ARG A 480
LEU A 478
 None
 1.12A 4kotA-6bo6A:
undetectable		 4kotA-6bo6A:
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.
6cw5 RIBOKINASE

(Cryptococcus
neoformans) 		no annotation 5 PHE A 162
PRO A 164
GLY A 189
ASN A 187
LEU A 173
 None
 1.00A 4kotA-6cw5A:
undetectable		 4kotA-6cw5A:
19.64