SIMILAR PATTERNS OF AMINO ACIDS FOR 4KIC_B_SAMB401_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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 404
GLY A 420
ALA A 401
ALA A 272
ARG A 153
 None
None
None
FAD  A 600 (-3.8A)
FAD  A 600 (-3.6A)
 1.04A 4kicB-1bhyA:
3.7		 4kicB-1bhyA:
23.60
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.
1e2z CYTOCHROME F

(Chlamydomonas
reinhardtii) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		5 ILE A  19
CYH A  21
GLY A 238
ILE A  33
ALA A 240
 None
HEC  A 900 (-1.8A)
None
None
None
 1.11A 4kicB-1e2zA:
undetectable		 4kicB-1e2zA:
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ILE B  93
GLY B 452
GLY B  91
ILE B 450
ALA B 456
 None
 1.10A 4kicB-1e9yB:
undetectable		 4kicB-1e9yB:
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 ILE A 206
CYH A 215
GLY A 197
GLY A 200
PHE A 218
 None
None
SAH  A1699 ( 4.2A)
None
None
 1.11A 4kicB-1fp2A:
15.5		 4kicB-1fp2A:
24.58
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.
1hx5 10 KDA CHAPERONIN

(Mycobacterium
tuberculosis) 		PF00166
(Cpn10) 		5 GLY A  46
GLY A  48
ILE A  12
ALA A  90
ALA A  44
 None
 0.92A 4kicB-1hx5A:
undetectable		 4kicB-1hx5A:
13.03
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.
1i78 PROTEASE VII

(Escherichia
coli) 		PF01278
(Omptin) 		5 GLY A  54
GLY A  70
ILE A  56
ALA A  68
ALA A  14
 None
 1.06A 4kicB-1i78A:
undetectable		 4kicB-1i78A:
22.38
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.
1jn1 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Haemophilus
influenzae) 		PF02542
(YgbB) 		6 ILE A  58
GLY A  51
GLY A  56
ILE A  49
ALA A  81
ALA A 153
 None
 1.34A 4kicB-1jn1A:
undetectable		 4kicB-1jn1A:
19.89
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.
1k6d ACETATE
COA-TRANSFERASE
ALPHA SUBUNIT

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 ILE A 107
GLY A  24
ILE A 154
ALA A 152
PHE A  26
 None
 1.07A 4kicB-1k6dA:
2.2		 4kicB-1k6dA:
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.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		5 ILE A 233
CYH A 229
GLY A 497
ILE A 491
ARG A 324
 None
 1.02A 4kicB-1m22A:
undetectable		 4kicB-1m22A:
24.51
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A1171
GLY A1178
GLY A1174
ALA A1182
PHE A1204
 None
 1.08A 4kicB-1p0cA:
undetectable		 4kicB-1p0cA:
23.95
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.
1q90 APOCYTOCHROME F

(Chlamydomonas
reinhardtii) 		PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N) 		5 ILE A  19
CYH A  21
GLY A 238
ILE A  33
ALA A 240
 None
HEM  A 900 (-1.8A)
None
None
None
 1.03A 4kicB-1q90A:
undetectable		 4kicB-1q90A:
24.59
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 ILE A 296
GLY A 291
GLY A 294
ILE A 162
ALA A 166
 None
 1.11A 4kicB-1r8gA:
undetectable		 4kicB-1r8gA:
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  46
ALA A 159
ASP A 327
 FAD  A 493 (-3.2A)
None
FAD  A 493 (-3.2A)
FAD  A 493 (-4.7A)
FAD  A 493 (-2.8A)
 1.11A 4kicB-1typA:
3.1		 4kicB-1typA:
22.77
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.
1u1z (3R)-HYDROXYMYRISTOY
L-[ACYL CARRIER
PROTEIN] DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF07977
(FabA) 		5 ILE A 139
CYH A 141
GLY A  73
ILE A  33
ALA A 111
 None
 1.12A 4kicB-1u1zA:
undetectable		 4kicB-1u1zA:
23.30
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.
2bht CYSTEINE SYNTHASE B

(Escherichia
coli) 		PF00291
(PALP) 		5 ILE A 195
GLY A 177
ALA A  44
ARG A  43
MET A 173
 None
PLP  A 320 (-4.1A)
None
None
None
 1.13A 4kicB-2bhtA:
undetectable		 4kicB-2bhtA:
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.
2ge7 NUCLEOCAPSID PROTEIN

(Avian
coronavirus) 		PF00937
(Corona_nucleoca) 		5 GLY A  36
GLY A 108
ILE A 101
MET A  40
ASP A  47
 None
 0.96A 4kicB-2ge7A:
undetectable		 4kicB-2ge7A:
15.82
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus;
Lupinus luteus) 		PF01112
(Asparaginase_2)
PF01112
(Asparaginase_2) 		5 ILE A  62
GLY B 195
GLY A  10
ALA A  67
ALA B 208
 None
None
None
NA  A 401 (-4.6A)
None
 1.01A 4kicB-2gezA:
undetectable		 4kicB-2gezA:
22.32
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.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		5 GLY A 180
GLY A 146
ILE A 198
ALA A 177
ALA A 182
 FMN  A1904 (-3.7A)
None
None
None
None
 1.12A 4kicB-2gjnA:
undetectable		 4kicB-2gjnA:
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.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 GLY A   5
GLY A 287
ILE A  17
ALA A  25
PHE A  74
 None
 1.08A 4kicB-2ivpA:
undetectable		 4kicB-2ivpA:
23.72
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.
2ivp O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Pyrococcus
abyssi) 		PF00814
(Peptidase_M22) 		5 GLY A   5
ILE A  17
ALA A  58
ALA A   3
PHE A  74
 None
 1.09A 4kicB-2ivpA:
undetectable		 4kicB-2ivpA:
23.72
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.
2iyk REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF09416
(UPF1_Zn_bind) 		5 ILE A 147
GLY A  37
GLY A  39
ILE A  18
ALA A 144
 None
None
None
ZN  A1163 ( 4.9A)
None
 1.07A 4kicB-2iykA:
undetectable		 4kicB-2iykA:
17.45
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.
2mx6 SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1

(Mus musculus) 		PF00595
(PDZ) 		5 ILE A 266
GLY A 277
GLY A 268
ALA A 317
MET A 300
 None
 1.12A 4kicB-2mx6A:
undetectable		 4kicB-2mx6A:
13.35
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.
2op6 HEAT SHOCK 70 KDA
PROTEIN D

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		5 GLY A 495
ALA A 492
ALA A 462
PHE A 453
ASP A 517
 None
 1.05A 4kicB-2op6A:
undetectable		 4kicB-2op6A:
18.87
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.
2ps2 PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Aspergillus
oryzae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 337
ILE A 303
ALA A 335
ALA A 307
ASP A 114
 None
 1.10A 4kicB-2ps2A:
undetectable		 4kicB-2ps2A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pvs PANCREATIC
LIPASE-RELATED
PROTEIN 2

(Homo sapiens) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 GLY A 150
GLY A 154
ILE A 172
ALA A 159
PHE A 267
 None
None
None
CA  A 502 ( 4.7A)
None
 1.10A 4kicB-2pvsA:
undetectable		 4kicB-2pvsA:
20.04
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		5 GLY A  84
GLY A  86
ILE A 111
ARG A 137
MET A 165
 SAM  A 400 (-3.4A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-3.7A)
SAM  A 400 (-4.6A)
SAM  A 400 (-3.3A)
 0.65A 4kicB-2qe6A:
15.2		 4kicB-2qe6A:
24.59
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.
2qvb HALOALKANE
DEHALOGENASE 3

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		5 GLY A 271
GLY A 247
ILE A 179
ALA A 178
ARG A 181
 None
None
None
EDO  A   1 ( 3.7A)
None
 1.12A 4kicB-2qvbA:
2.4		 4kicB-2qvbA:
22.56
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.
2qyo O-METHYLTRANSFERASE

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 ILE A 211
CYH A 220
GLY A 202
GLY A 205
PHE A 223
 None
None
SAH  A 601 ( 4.3A)
None
None
 1.13A 4kicB-2qyoA:
14.2		 4kicB-2qyoA:
21.65
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.
2r62 CELL DIVISION
PROTEASE FTSH
HOMOLOG

(Helicobacter
pylori) 		PF00004
(AAA) 		5 ILE A 266
GLY A 235
ILE A 271
ALA A 315
ALA A 273
 None
 1.11A 4kicB-2r62A:
undetectable		 4kicB-2r62A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  13
GLY A  49
ALA A  46
ALA A 159
ASP A 327
 FAD  A1491 (-3.3A)
None
FAD  A1491 (-3.6A)
FAD  A1491 (-4.7A)
FAD  A1491 (-2.9A)
 1.12A 4kicB-2wbaA:
3.8		 4kicB-2wbaA:
20.94
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 ILE A 257
GLY A 147
GLY A 149
ILE A 128
ALA A 254
 None
 1.03A 4kicB-2wjvA:
3.0		 4kicB-2wjvA:
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ILE A 375
GLY A 379
ALA A 370
ARG A 334
ASP A 336
 None
 0.91A 4kicB-2wskA:
undetectable		 4kicB-2wskA:
19.30
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.
2yr1 3-DEHYDROQUINATE
DEHYDRATASE

(Geobacillus
kaustophilus) 		PF01487
(DHquinase_I) 		5 ILE A 214
GLY A 238
GLY A 210
ALA A 207
ALA A 236
 None
 1.13A 4kicB-2yr1A:
2.3		 4kicB-2yr1A:
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.
3a9c TRANSLATION
INITIATION FACTOR
EIF-2B, DELTA
SUBUNIT

(Thermococcus
kodakarensis) 		PF01008
(IF-2B) 		5 GLY A 119
GLY A 116
ILE A 123
ALA A 145
MET A 231
 None
 1.11A 4kicB-3a9cA:
4.3		 4kicB-3a9cA:
23.68
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.
3b05 ISOPENTENYL-DIPHOSPH
ATE DELTA-ISOMERASE

(Sulfolobus
shibatae) 		PF01070
(FMN_dh) 		6 ILE A  90
GLY A 279
ILE A 276
ALA A 293
ARG A 277
PHE A 319
 None
None
None
None
FNR  A 669 (-2.8A)
None
 1.30A 4kicB-3b05A:
undetectable		 4kicB-3b05A:
20.67
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 GLY A  46
GLY A  48
ALA A  69
ALA A  90
MET A 107
 None
 0.72A 4kicB-3ccfA:
15.6		 4kicB-3ccfA:
21.25
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 ILE A 182
GLY A  78
GLY A  10
ILE A 196
ALA A 198
 None
 1.12A 4kicB-3eeiA:
undetectable		 4kicB-3eeiA:
21.14
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.
3eu8 PUTATIVE
GLUCOAMYLASE

(Bacteroides
fragilis) 		PF10091
(Glycoamylase)
PF11329
(DUF3131) 		5 GLY A  89
GLY A 162
ILE A 116
ALA A  65
PHE A 158
 None
None
EDO  A 474 (-4.9A)
EDO  A 474 (-3.6A)
None
 1.09A 4kicB-3eu8A:
undetectable		 4kicB-3eu8A:
21.65
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.
3g05 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME MNMG

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		5 ILE A  11
GLY A 156
GLY A  15
ILE A 371
ALA A 368
 None
SO4  A 551 (-2.6A)
SO4  A 551 (-3.2A)
None
None
 0.97A 4kicB-3g05A:
3.2		 4kicB-3g05A:
22.84
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.
3g1w SUGAR ABC
TRANSPORTER

(Bacillus
halodurans) 		PF13407
(Peripla_BP_4) 		5 ILE A 171
GLY A 241
GLY A 237
ILE A 253
ARG A 249
 None
 1.00A 4kicB-3g1wA:
2.8		 4kicB-3g1wA:
24.05
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ILE A 118
CYH A 120
GLY A  17
ILE A  25
ALA A   3
 None
 0.96A 4kicB-3h2zA:
4.6		 4kicB-3h2zA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdt PUTATIVE KINASE

([Clostridium]
symbiosum) 		PF13189
(Cytidylate_kin2) 		5 ILE A 195
GLY A  28
GLY A  24
ILE A  14
ALA A  32
 None
None
PO4  A 301 (-3.6A)
None
None
 1.05A 4kicB-3hdtA:
undetectable		 4kicB-3hdtA:
21.68
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.
3ibs CONSERVED
HYPOTHETICAL PROTEIN
BATB

(Bacteroides
thetaiotaomicron) 		PF00092
(VWA) 		5 ILE A 199
GLY A 184
ILE A 109
ALA A 108
ALA A 126
 None
 1.11A 4kicB-3ibsA:
undetectable		 4kicB-3ibsA:
22.44
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.
3ic1 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Haemophilus
influenzae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ILE A 366
GLY A 162
GLY A 342
ALA A  65
MET A 108
 None
 1.11A 4kicB-3ic1A:
undetectable		 4kicB-3ic1A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ita D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC

(Escherichia
coli) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ILE A  17
ALA A 162
ALA A  15
PHE A 155
ASP A  33
 None
 1.00A 4kicB-3itaA:
undetectable		 4kicB-3itaA:
25.72
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.
3j15 PROTEIN PELOTA

(Pyrococcus
furiosus) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 GLY A 206
GLY A 208
ILE A 231
ARG A 248
ASP A 233
 None
 1.07A 4kicB-3j15A:
undetectable		 4kicB-3j15A:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 GLY A  69
GLY A  99
ILE A  71
ALA A 151
ARG A 146
 None
 1.12A 4kicB-3n0tA:
undetectable		 4kicB-3n0tA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sgz HYDROXYACID OXIDASE
2

(Rattus
norvegicus) 		PF01070
(FMN_dh) 		5 GLY A 279
GLY A 248
ILE A 259
ALA A 257
ASP A 286
 FMN  A 401 (-3.4A)
FMN  A 401 (-3.3A)
None
None
None
 1.10A 4kicB-3sgzA:
undetectable		 4kicB-3sgzA:
22.52
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.
3slg PBGP3 PROTEIN

(Burkholderia
pseudomallei) 		PF01370
(Epimerase) 		5 GLY A 182
GLY A 184
ALA A 335
ALA A 328
ASP A 228
 None
 0.96A 4kicB-3slgA:
5.2		 4kicB-3slgA:
23.10
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 ILE A 353
GLY A 307
GLY A 310
ALA A 320
ALA A 305
 None
 1.12A 4kicB-3t3oA:
undetectable		 4kicB-3t3oA:
23.12
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.
3tbh O-ACETYL SERINE
SULFHYDRYLASE

(Leishmania
donovani) 		PF00291
(PALP) 		5 ILE A 231
GLY A 272
GLY A 275
ILE A 257
ALA A 256
 None
 1.12A 4kicB-3tbhA:
2.5		 4kicB-3tbhA:
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.
3tfj GCVT-LIKE
AMINOMETHYLTRANSFERA
SE PROTEIN

(Candidatus
Pelagibacter
ubique) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ILE A 297
ILE A 336
ALA A 337
ALA A 243
ARG A 239
 None
 1.03A 4kicB-3tfjA:
undetectable		 4kicB-3tfjA:
21.12
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.
3ttl POLYAMINE TRANSPORT
PROTEIN

(Pseudomonas
aeruginosa) 		PF13416
(SBP_bac_8) 		5 ILE A 233
GLY A 238
GLY A 138
ILE A 225
MET A 176
 None
 1.07A 4kicB-3ttlA:
undetectable		 4kicB-3ttlA:
21.99
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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		5 GLY A 138
GLY A 142
ALA A 359
ALA A 133
ASP A 370
 None
 1.09A 4kicB-3u44A:
undetectable		 4kicB-3u44A:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 ILE A  59
GLY A 115
ILE A 135
ALA A 136
ALA A 144
 None
GOL  A 487 ( 3.8A)
None
None
None
 1.03A 4kicB-3uhjA:
undetectable		 4kicB-3uhjA:
24.34
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.
3uoe DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02615
(Ldh_2) 		5 ILE A 268
GLY A 275
GLY A 273
ILE A 277
ALA A 279
 None
 0.84A 4kicB-3uoeA:
undetectable		 4kicB-3uoeA:
26.81
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.
3vnw CYTOCHROME C-552

(Thermus
thermophilus) 		PF00034
(Cytochrom_C) 		5 GLY A  19
GLY A  21
ILE A  87
ALA A  90
ASP A  93
 None
None
HEM  A 200 ( 4.7A)
None
None
 1.13A 4kicB-3vnwA:
undetectable		 4kicB-3vnwA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eex ALCOHOL
DEHYDROGENASE 1

(Lactococcus
lactis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 169
CYH A 239
GLY A 173
ILE A 207
ALA A 204
 None
 0.95A 4kicB-4eexA:
undetectable		 4kicB-4eexA:
24.87
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.
4etm LOW MOLECULAR WEIGHT
PROTEIN-TYROSINE-PHO
SPHATASE YFKJ

(Bacillus
subtilis) 		PF01451
(LMWPc) 		5 ILE A  42
GLY A  10
ALA A  40
ALA A  18
MET A  88
 None
PO4  A 201 (-3.4A)
None
None
None
 0.95A 4kicB-4etmA:
undetectable		 4kicB-4etmA:
19.94
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.
4fs3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH] FABI

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		5 ILE A  11
GLY A  23
ILE A 188
ALA A 230
ALA A 190
 None
None
None
None
0WD  A 301 (-3.5A)
 1.10A 4kicB-4fs3A:
6.0		 4kicB-4fs3A:
23.55
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.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 169
GLY A 174
ILE A 192
ALA A 191
ALA A 241
 NAD  A 401 (-3.4A)
None
None
None
NAD  A 401 ( 3.7A)
 1.11A 4kicB-4gkvA:
5.7		 4kicB-4gkvA:
24.04
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.
4h2k SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Haemophilus
influenzae) 		PF01546
(Peptidase_M20) 		5 ILE A 255
GLY A 162
GLY A 231
ALA A  65
MET A 108
 None
 1.11A 4kicB-4h2kA:
undetectable		 4kicB-4h2kA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixo NIFS-LIKE PROTEIN

(Rickettsia
africae) 		PF00266
(Aminotran_5) 		5 GLY A 241
GLY A 199
ILE A 237
ALA A 236
ARG A  48
 None
 1.09A 4kicB-4ixoA:
undetectable		 4kicB-4ixoA:
22.76
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.
4jdu AEROTOLERANCE-RELATE
D MEMBRANE PROTEIN

(Bacteroides
fragilis) 		PF00092
(VWA) 		5 ILE A 283
GLY A 268
ILE A 193
ALA A 192
ALA A 210
 None
 1.08A 4kicB-4jduA:
undetectable		 4kicB-4jduA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jem CMP/HYDROXYMETHYL
CMP HYDROLASE

(Streptomyces
rimofaciens) 		PF05014
(Nuc_deoxyrib_tr) 		5 ILE A 104
GLY A 111
GLY A 109
ALA A 135
ALA A 163
 None
 1.06A 4kicB-4jemA:
2.9		 4kicB-4jemA:
21.56
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 GLY A  85
GLY A  82
ALA A  77
ALA A  43
ASP A  13
 None
None
None
None
CA  A 401 (-2.2A)
 1.10A 4kicB-4kpoA:
undetectable		 4kicB-4kpoA:
25.37
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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ILE A  72
GLY A  75
ILE A 204
ALA A 205
ALA A 185
 GOL  A 611 (-3.8A)
None
None
None
None
 1.08A 4kicB-4ksiA:
undetectable		 4kicB-4ksiA:
24.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		6 CYH A 136
GLY A 166
ALA A 194
PHE A 239
MET A 240
MET A 241
 M72  A 402 (-2.8A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.8A)
None
SAH  A 401 ( 4.3A)
SAH  A 401 ( 3.9A)
 1.37A 4kicB-4m73A:
46.1		 4kicB-4m73A:
93.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		10 CYH A 136
GLY A 166
GLY A 168
ILE A 190
ALA A 191
ALA A 218
ARG A 219
PHE A 239
MET A 240
MET A 241
 M72  A 402 (-2.8A)
SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.8A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.5A)
SAH  A 401 (-4.5A)
None
SAH  A 401 ( 4.3A)
SAH  A 401 ( 3.9A)
 0.65A 4kicB-4m73A:
46.1		 4kicB-4m73A:
93.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 ILE A 132
CYH A 136
ARG A 219
PHE A 239
MET A 240
 M72  A 402 (-4.7A)
M72  A 402 (-2.8A)
SAH  A 401 (-4.5A)
None
SAH  A 401 ( 4.3A)
 0.84A 4kicB-4m73A:
46.1		 4kicB-4m73A:
93.56
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.
4nqy ISOPROPYLMALATE/CITR
AMALATE ISOMERASE
LARGE SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00330
(Aconitase) 		5 ILE A 267
GLY A 198
ILE A 160
ALA A 194
MET A 213
 None
 1.13A 4kicB-4nqyA:
undetectable		 4kicB-4nqyA:
25.72
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.
4r6g LEUCINE RICH REPEATS
DLRR_K

(synthetic
construct) 		PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ILE A 348
CYH A 325
ILE A 385
ALA A 381
ALA A 388
 None
 1.09A 4kicB-4r6gA:
undetectable		 4kicB-4r6gA:
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.
4udr GLUCOSE-METHANOL-CHO
LINE OXIDOREDUCTASE

(Methylovorus
sp. MP688) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 263
GLY A  14
GLY A  12
ALA A  21
ALA A 210
 None
FAD  A 700 (-3.2A)
FAD  A 700 (-3.2A)
None
None
 1.10A 4kicB-4udrA:
2.4		 4kicB-4udrA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A  69
GLY A 192
GLY A  66
ALA A  20
ALA A 141
 None
 0.99A 4kicB-4ynnA:
undetectable		 4kicB-4ynnA:
22.86
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ILE A 272
GLY A  14
GLY A  12
ALA A  21
ALA A 213
 None
FAD  A 601 (-3.4A)
FAD  A 601 (-3.3A)
None
None
 1.10A 4kicB-4ynuA:
3.6		 4kicB-4ynuA:
21.35
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.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 ILE A 130
GLY A  89
GLY A  68
ILE A 117
ALA A 114
 None
None
SAH  A 301 (-3.6A)
None
SAH  A 301 (-3.5A)
 1.02A 4kicB-5dlyA:
14.3		 4kicB-5dlyA:
21.58
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.
5dmu NHEJ POLYMERASE

(Methanocella
paludicola) 		no annotation 5 GLY A  80
GLY A  82
ILE A 132
ALA A 260
ALA A 130
 None
None
None
EDO  A 401 ( 4.4A)
None
 1.02A 4kicB-5dmuA:
undetectable		 4kicB-5dmuA:
23.74
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.
5esv 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE,ENVELOPE
GLYCOPROTEIN GP160

(Haemophilus
influenzae;
Human
immunodeficiency
virus 1) 		PF00516
(GP120)
PF02542
(YgbB) 		5 ILE E 222
GLY E 215
GLY E 220
ILE E 213
ALA E 245
 None
 0.99A 4kicB-5esvE:
undetectable		 4kicB-5esvE:
20.33
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.
5fmr INTRAFLAGELLAR
TRANSPORT PROTEIN
COMPONENT IFT52

(Chlamydomonas
reinhardtii) 		PF09822
(ABC_transp_aux) 		5 ILE A 222
GLY A  88
GLY A 220
ILE A  62
ALA A  60
 None
 1.11A 4kicB-5fmrA:
undetectable		 4kicB-5fmrA:
20.98
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLY C  55
GLY C  53
ALA C  42
MET C 106
ASP C  40
 None
 0.81A 4kicB-5fseC:
undetectable		 4kicB-5fseC:
20.84
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.
5ftx SURFACE LAYER
PROTEIN

(Geobacillus
stearothermophilus) 		no annotation 5 GLY A 570
ILE A 689
ALA A 573
ALA A 682
ASP A 684
 None
 1.10A 4kicB-5ftxA:
undetectable		 4kicB-5ftxA:
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.
5huu ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
[UDP-FORMING]

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 ILE A  57
GLY A  54
ILE A  78
ALA A  77
ALA A 121
 None
 1.03A 4kicB-5huuA:
undetectable		 4kicB-5huuA:
22.20
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.
5i20 UNCHARACTERIZED
PROTEIN

(Starkeya
novella) 		PF00892
(EamA) 		5 ILE A 223
GLY A  44
GLY A  47
ILE A  42
PHE A 184
 None
 0.99A 4kicB-5i20A:
undetectable		 4kicB-5i20A:
22.94
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ILE A 129
GLY A  50
GLY A  52
ILE A 174
ALA A 176
 None
 1.08A 4kicB-5jjuA:
3.1		 4kicB-5jjuA:
24.74
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.
5keg DNA DC->DU-EDITING
ENZYME APOBEC-3A

(Homo sapiens) 		PF08210
(APOBEC_N) 		5 ILE A 129
ILE A  96
ALA A 126
ALA A  72
PHE A 102
 None
None
None
CL  A 203 ( 4.4A)
None
 1.06A 4kicB-5kegA:
undetectable		 4kicB-5kegA:
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 5 ILE A 915
GLY A 910
ILE A1270
ALA A1267
ALA A1067
 None
 1.08A 4kicB-5kk5A:
undetectable		 4kicB-5kk5A:
13.77
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00384
(Molybdopterin)
PF01493
(GXGXG) 		5 GLY C 247
GLY C 256
ILE C 251
ARG B 214
PHE C 245
 None
 0.88A 4kicB-5t5iC:
undetectable		 4kicB-5t5iC:
21.41
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.
5t5q SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE
SDR:GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 ILE A  93
GLY A 117
ALA A  91
ALA A  70
ASP A  63
 None
None
NAD  A 300 ( 3.9A)
None
NAD  A 300 (-3.5A)
 1.03A 4kicB-5t5qA:
6.2		 4kicB-5t5qA:
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ILE A  42
GLY A  10
GLY A  37
ALA A 112
ASP A 285
 FAD  A 401 ( 4.7A)
FAD  A 401 (-3.4A)
None
None
FAD  A 401 (-2.9A)
 1.03A 4kicB-5twbA:
undetectable		 4kicB-5twbA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 ILE A 390
GLY A 340
ILE A 402
ALA A 405
ARG A 406
 None
NA  A 601 (-3.8A)
None
None
None
 0.97A 4kicB-5ujuA:
2.9		 4kicB-5ujuA:
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.
5v0i TRYPTOPHAN--TRNA
LIGASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 GLY A  19
GLY A  23
ILE A 249
ALA A 252
MET A 196
 AMP  A 401 (-3.6A)
AMP  A 401 (-3.5A)
None
None
None
 1.03A 4kicB-5v0iA:
undetectable		 4kicB-5v0iA:
23.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 ILE A 731
CYH A 718
GLY A 726
GLY A 729
ILE A 757
 None
 1.10A 4kicB-5vm9A:
undetectable		 4kicB-5vm9A:
18.25
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.
5xcy GLUCANASE

(Phanerochaete
chrysosporium) 		PF01341
(Glyco_hydro_6) 		5 GLY A 367
ILE A 363
ALA A 414
PHE A 428
ASP A 394
 None
 1.11A 4kicB-5xcyA:
undetectable		 4kicB-5xcyA:
21.59
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.
5xyj ACETYL-COA
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B  55
GLY B 117
GLY B  57
ALA B  69
ALA B  34
 None
 1.05A 4kicB-5xyjB:
undetectable		 4kicB-5xyjB:
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.
5y2d -

(-) 		no annotation 5 ILE A 105
GLY A 223
GLY A 102
ALA A  54
ALA A 177
 None
 1.01A 4kicB-5y2dA:
undetectable		 4kicB-5y2dA:
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  55
ALA A 373
ALA A 389
ARG A 386
MET A  52
 None
 1.08A 4kicB-5ykdA:
undetectable		 4kicB-5ykdA:
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.
6dfu TRYPTOPHAN--TRNA
LIGASE

(Haemophilus
influenzae) 		no annotation 5 GLY A  19
GLY A  23
ILE A 249
ALA A 252
MET A 196
 None
 1.10A 4kicB-6dfuA:
undetectable		 4kicB-6dfuA:
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 ILE A 343
GLY A  30
GLY A  10
ILE A  26
ALA A  71
 None
 1.11A 4kicB-6et9A:
undetectable		 4kicB-6et9A:
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.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 5 GLY A 126
GLY A 129
ALA A 149
ALA A 122
PHE A  46
 None
 1.02A 4kicB-6f34A:
undetectable		 4kicB-6f34A:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 CYH A 553
GLY A 805
ILE A 656
ALA A 653
PHE A 801
 None
 1.06A 4kicB-6fikA:
undetectable		 4kicB-6fikA:
undetectable