SIMILAR PATTERNS OF AMINO ACIDS FOR 2KCE_B_D16B568_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ci7 PROTEIN (THYMIDYLATE
SYNTHASE)

(Pneumocystis
carinii) 		PF00303
(Thymidylat_synt) 		7 TRP A  87
LEU A 170
ASP A 202
LEU A 205
GLY A 206
PHE A 209
TYR A 242
 None
UMP  A 767 (-4.7A)
CB3  A 768 ( 3.6A)
CB3  A 768 ( 4.4A)
UMP  A 767 (-3.7A)
CB3  A 768 (-3.6A)
CB3  A 768 ( 4.7A)
 0.75A 2kceB-1ci7A:
37.6		 2kceB-1ci7A:
45.00
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.
1dzb SCFV FRAGMENT 1F9

(Mus musculus) 		PF07686
(V-set) 		5 HIS A  35
ASP A 228
GLY A 292
TYR A 271
ALA A 251
 None
 1.23A 2kceB-1dzbA:
0.0		 2kceB-1dzbA:
21.01
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.
1fi8 NATURAL KILLER CELL
PROTEASE 1

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 SER A  26
LEU A 199
ASP A 194
GLY A 140
ALA A 189
 None
 1.12A 2kceB-1fi8A:
undetectable		 2kceB-1fi8A:
18.55
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.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 TRP A  47
LEU A 261
GLY A 267
PHE A 150
ALA A 190
 None
 1.22A 2kceB-1hc7A:
0.0		 2kceB-1hc7A:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvy THYMIDYLATE SYNTHASE

(Homo sapiens) 		PF00303
(Thymidylat_synt) 		8 TRP A 109
LEU A 192
ASP A 218
LEU A 221
GLY A 222
PHE A 225
TYR A 258
ALA A 312
 D16  A 414 (-3.7A)
None
D16  A 414 ( 3.6A)
D16  A 414 (-4.0A)
D16  A 414 (-3.3A)
D16  A 414 (-3.6A)
UMP  A 314 ( 4.4A)
D16  A 414 (-3.6A)
 0.57A 2kceB-1hvyA:
39.5		 2kceB-1hvyA:
51.04
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.
1jxn ANTI-H(O) LECTIN I

(Ulex europaeus) 		PF00139
(Lectin_legB) 		5 LEU A  89
GLY A 163
TYR A 187
VAL A 167
ALA A 168
 None
 1.19A 2kceB-1jxnA:
0.0		 2kceB-1jxnA:
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.
1ktc ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Gallus gallus) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		5 LEU A 312
ASP A 292
LEU A 294
GLY A 295
ALA A 319
 GOL  A1101 (-4.4A)
None
GOL  A1107 ( 4.9A)
None
GOL  A1106 (-4.1A)
 1.10A 2kceB-1ktcA:
0.0		 2kceB-1ktcA:
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.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		5 SER A 235
ASP A 132
GLY A 128
PHE A 126
ALA A 136
 None
 1.21A 2kceB-1lzkA:
0.0		 2kceB-1lzkA:
23.62
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.
1nln ADENAIN

(Human
mastadenovirus
C) 		PF00770
(Peptidase_C5) 		5 LEU A 201
LEU A 124
GLY A 123
PHE A 125
ALA A 195
 None
 1.19A 2kceB-1nlnA:
0.7		 2kceB-1nlnA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p4t OUTER MEMBRANE
PROTEIN NSPA

(Neisseria
meningitidis) 		PF02462
(Opacity) 		5 SER A  56
LEU A  61
LEU A  21
GLY A  22
VAL A 139
 None
None
None
CXE  A 500 (-4.1A)
CXE  A 500 ( 4.9A)
 1.14A 2kceB-1p4tA:
undetectable		 2kceB-1p4tA:
17.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 ASP A 179
LEU A 182
GLY A 183
PHE A 186
TYR A 219
 None
 1.00A 2kceB-1tisA:
31.7		 2kceB-1tisA:
45.73
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TRP B 135
GLY A 168
PHE A 405
VAL A 108
ALA A 109
 None
ACE  A 633 ( 4.3A)
ACE  A 633 (-3.7A)
None
None
 1.15A 2kceB-1tqyB:
undetectable		 2kceB-1tqyB:
19.66
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.
1vg0 RAB PROTEINS
GERANYLGERANYLTRANSF
ERASE COMPONENT A 1

(Rattus
norvegicus) 		PF00996
(GDI) 		5 LEU A 380
LEU A 238
GLY A 237
VAL A 585
ALA A 584
 None
 1.23A 2kceB-1vg0A:
undetectable		 2kceB-1vg0A:
17.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2aaz THYMIDYLATE SYNTHASE

(Cryptococcus
neoformans) 		PF00303
(Thymidylat_synt) 		7 TRP A 101
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
TYR A 259
 CB3  A2351 (-3.7A)
None
CB3  A2351 ( 3.6A)
CB3  A2351 (-4.1A)
CB3  A2351 ( 3.2A)
CB3  A2351 (-3.8A)
CB3  A2351 ( 4.3A)
 0.57A 2kceB-2aazA:
undetectable		 2kceB-2aazA:
43.85
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.
2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE

(Escherichia
coli) 		PF02734
(Dak2) 		5 SER A 196
LEU A  72
GLY A  85
PHE A  84
VAL A  49
 None
 1.21A 2kceB-2btdA:
undetectable		 2kceB-2btdA:
21.53
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 185
GLY A 180
PHE A 179
TYR A   3
ALA A 280
 None
 1.11A 2kceB-2cb1A:
undetectable		 2kceB-2cb1A:
21.19
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.
2cb1 O-ACETYL HOMOSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A 185
GLY A 180
PHE A 179
VAL A 283
ALA A 280
 None
 1.12A 2kceB-2cb1A:
undetectable		 2kceB-2cb1A:
21.19
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.
2gzm GLUTAMATE RACEMASE

(Bacillus
anthracis) 		PF01177
(Asp_Glu_race) 		5 SER A 208
TRP A 253
LEU A 191
GLY A 192
VAL A 152
 None
 1.06A 2kceB-2gzmA:
undetectable		 2kceB-2gzmA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
 None
None
DU  A 611 (-3.5A)
None
DU  A 611 (-4.6A)
 0.60A 2kceB-2h2qA:
34.7		 2kceB-2h2qA:
26.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 HIS A 106
LEU A 126
GLY A 131
VAL A 143
ALA A 495
 None
 1.16A 2kceB-2hj0A:
undetectable		 2kceB-2hj0A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 LEU A 399
ASP A 426
LEU A 429
GLY A 430
PHE A 433
TYR A 466
ALA A 520
 None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
CB3  A 604 ( 3.9A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.72A 2kceB-2oipA:
39.3		 2kceB-2oipA:
26.20
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 TRP A 316
LEU A 399
ASP A 426
LEU A 429
GLY A 430
TYR A 466
ALA A 520
 CB3  A 604 ( 4.4A)
None
CB3  A 604 ( 3.9A)
CB3  A 604 ( 4.4A)
CB3  A 604 ( 3.4A)
UMP  A 603 ( 4.3A)
CB3  A 604 ( 4.0A)
 0.40A 2kceB-2oipA:
39.3		 2kceB-2oipA:
26.20
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 HIS A 312
LEU A  14
ASP A 334
GLY A 304
ALA A 361
 None
 1.22A 2kceB-2pgwA:
undetectable		 2kceB-2pgwA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pnw MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE

(Agrobacterium
fabrum) 		PF03562
(MltA)
PF06725
(3D) 		5 SER A  93
ASP A 334
GLY A 333
VAL A 350
ALA A 347
 None
 1.15A 2kceB-2pnwA:
undetectable		 2kceB-2pnwA:
21.60
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.
2q07 UNCHARACTERIZED
PROTEIN AF0587

(Archaeoglobus
fulgidus) 		PF01472
(PUA) 		5 LEU A 333
GLY A 352
TYR A 370
VAL A 349
ALA A 347
 None
 1.05A 2kceB-2q07A:
undetectable		 2kceB-2q07A:
20.58
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.
2qyv XAA-HIS DIPEPTIDASE

(Histophilus
somni) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 TRP A  13
LEU A  12
LEU A 112
GLY A 113
VAL A 105
 None
 1.11A 2kceB-2qyvA:
undetectable		 2kceB-2qyvA:
19.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2tdd THYMIDYLATE SYNTHASE

(Lactobacillus
casei) 		PF00303
(Thymidylat_synt) 		6 LEU A 195
ASP A 221
LEU A 224
GLY A 225
PHE A 228
TYR A 261
 THF  A 568 (-4.6A)
UFP  A 529 (-4.7A)
THF  A 568 (-3.6A)
UFP  A 529 ( 4.0A)
THF  A 568 (-4.8A)
UFP  A 529 (-4.7A)
 0.86A 2kceB-2tddA:
35.7		 2kceB-2tddA:
51.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uwj TYPE III EXPORT
PROTEIN PSCG

(Pseudomonas
aeruginosa) 		PF09477
(Type_III_YscG) 		5 HIS G  80
ASP G  88
LEU G  87
GLY G  84
ALA G  92
 None
 1.19A 2kceB-2uwjG:
undetectable		 2kceB-2uwjG:
18.96
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.
2vg9 BIFUNCTIONAL
ENDO-1,4-BETA-XYLANA
SE A

(Neocallimastix
patriciarum) 		PF00457
(Glyco_hydro_11) 		5 LEU A 191
LEU A  75
GLY A  74
VAL A  95
ALA A 195
 None
 1.16A 2kceB-2vg9A:
undetectable		 2kceB-2vg9A:
19.71
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.
2woz KELCH REPEAT AND BTB
DOMAIN-CONTAINING
PROTEIN 10

(Rattus
norvegicus) 		PF01344
(Kelch_1) 		5 HIS A 440
TRP A 427
LEU A 393
GLY A 394
VAL A 350
 None
 1.24A 2kceB-2wozA:
undetectable		 2kceB-2wozA:
19.47
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.
3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 5 HIS B 163
LEU B 199
GLY B 166
PHE B 164
ALA B 193
 None
 1.16A 2kceB-3bxwB:
undetectable		 2kceB-3bxwB:
21.00
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.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Methanosarcina
acetivorans) 		PF00528
(BPD_transp_1) 		5 LEU C 238
LEU C  48
GLY C  47
VAL C 246
ALA C 245
 None
 1.17A 2kceB-3d31C:
undetectable		 2kceB-3d31C:
22.22
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.
3i6t MUCONATE
CYCLOISOMERASE

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		6 HIS A 310
LEU A  16
ASP A 334
LEU A 336
GLY A 302
VAL A 359
 None
 1.46A 2kceB-3i6tA:
undetectable		 2kceB-3i6tA:
21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
 0.81A 2kceB-3ix6A:
35.6		 2kceB-3ix6A:
48.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
 None
 1.07A 2kceB-3ix6A:
35.6		 2kceB-3ix6A:
48.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix6 THYMIDYLATE SYNTHASE

(Brucella
melitensis) 		PF00303
(Thymidylat_synt) 		5 SER A  54
ASP A 169
LEU A 172
GLY A 173
TYR A 209
 None
 0.75A 2kceB-3ix6A:
35.6		 2kceB-3ix6A:
48.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kgb THYMIDYLATE SYNTHASE
1/2

(Encephalitozoon
cuniculi) 		PF00303
(Thymidylat_synt) 		5 ASP A 197
LEU A 200
GLY A 201
PHE A 204
TYR A 237
 None
 0.86A 2kceB-3kgbA:
33.3		 2kceB-3kgbA:
46.46
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 SER A 281
TRP A 307
LEU A 390
ASP A 416
GLY A 420
PHE A 423
TYR A 456
 None
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.87A 2kceB-3kjrA:
38.4		 2kceB-3kjrA:
26.71
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 SER A 281
TRP A 307
LEU A 390
ASP A 416
LEU A 419
GLY A 420
TYR A 456
 None
GOL  A 516 (-3.7A)
None
None
None
None
None
 0.69A 2kceB-3kjrA:
38.4		 2kceB-3kjrA:
26.71
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.
3t6g SH2
DOMAIN-CONTAINING
PROTEIN 3C

(Homo sapiens) 		PF00617
(RasGEF) 		5 HIS A 436
LEU A 666
ASP A 493
LEU A 425
VAL A 421
 None
 1.21A 2kceB-3t6gA:
undetectable		 2kceB-3t6gA:
21.39
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.
3thu MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Sphingomonas
sp. SKA58) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A  96
LEU A  32
GLY A  31
VAL A 321
ALA A 324
 None
 1.22A 2kceB-3thuA:
undetectable		 2kceB-3thuA:
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.
3tv2 FUMARATE HYDRATASE,
CLASS II

(Burkholderia
pseudomallei) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 HIS A 361
ASP A 484
GLY A 419
VAL A 487
ALA A 486
 None
 1.11A 2kceB-3tv2A:
undetectable		 2kceB-3tv2A:
18.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 LEU A 189
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 CIT  A 400 (-4.3A)
None
None
None
None
CIT  A 400 (-4.5A)
 0.80A 2kceB-3v8hA:
34.3		 2kceB-3v8hA:
36.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v8h THYMIDYLATE SYNTHASE

(Burkholderia
thailandensis) 		PF00303
(Thymidylat_synt) 		6 SER A  54
ASP A 217
LEU A 220
GLY A 221
PHE A 224
TYR A 257
 None
None
None
None
None
CIT  A 400 (-4.5A)
 0.69A 2kceB-3v8hA:
34.3		 2kceB-3v8hA:
36.53
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.
3zph CHALCONE ISOMERASE

(Eubacterium
ramulus) 		no annotation 5 LEU A 217
ASP A 214
GLY A 168
VAL A 204
ALA A 203
 None
 1.08A 2kceB-3zphA:
undetectable		 2kceB-3zphA:
18.59
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.
4a25 FERRITIN DPS FAMILY
PROTEIN

(Kineococcus
radiotolerans) 		PF00210
(Ferritin) 		5 HIS A 132
LEU A  30
GLY A  29
VAL A  77
ALA A  78
 None
 0.93A 2kceB-4a25A:
undetectable		 2kceB-4a25A:
20.68
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 SER A  90
LEU A  36
GLY A  32
VAL A  49
ALA A  50
 None
GOL  A1357 ( 4.6A)
GOL  A1357 ( 4.1A)
None
None
 1.21A 2kceB-4a6eA:
undetectable		 2kceB-4a6eA:
20.74
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.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		5 SER A 184
LEU A 244
GLY A 241
VAL A 451
ALA A 452
 None
 1.12A 2kceB-4av6A:
undetectable		 2kceB-4av6A:
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.
4bgb PUTATIVE SUGAR
KINASE MK0840

(Methanopyrus
kandleri) 		PF03702
(AnmK) 		5 LEU A 338
LEU A 330
GLY A 329
VAL A 108
ALA A 107
 None
 1.24A 2kceB-4bgbA:
undetectable		 2kceB-4bgbA:
23.08
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		5 LEU A  34
ASP A 163
LEU A 169
GLY A 161
VAL A 134
 None
FAD  A1398 (-4.9A)
None
None
FAD  A1398 (-4.0A)
 1.23A 2kceB-4bk1A:
undetectable		 2kceB-4bk1A:
21.98
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.
4clc UPF0303 PROTEIN
YBR137W

(Saccharomyces
cerevisiae) 		PF03928
(Haem_degrading) 		5 LEU E 146
ASP E 156
LEU E 151
VAL E  59
ALA E  60
 None
 1.23A 2kceB-4clcE:
undetectable		 2kceB-4clcE:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 177
ASP A 196
GLY A  12
TYR A 580
ALA A 584
 None
 0.99A 2kceB-4cw4A:
undetectable		 2kceB-4cw4A:
18.30
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.
4d0k A-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Chaetomium
thermophilum) 		no annotation 5 LEU A  54
LEU A 287
GLY A 300
VAL A  28
ALA A  39
 None
 1.12A 2kceB-4d0kA:
undetectable		 2kceB-4d0kA:
17.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		6 LEU A 198
ASP A 224
LEU A 227
GLY A 228
PHE A 231
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
None
UMP  A 501 (-4.2A)
 0.79A 2kceB-4dq1A:
36.2		 2kceB-4dq1A:
50.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dq1 THYMIDYLATE SYNTHASE

(Staphylococcus
aureus) 		PF00303
(Thymidylat_synt) 		5 SER A  56
ASP A 224
LEU A 227
GLY A 228
TYR A 264
 None
None
None
UMP  A 501 ( 4.0A)
UMP  A 501 (-4.2A)
 1.08A 2kceB-4dq1A:
36.2		 2kceB-4dq1A:
50.16
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.
4ej0 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Burkholderia
thailandensis) 		PF01370
(Epimerase) 		5 LEU A 199
LEU A 278
GLY A 277
VAL A 256
ALA A 253
 None
 1.12A 2kceB-4ej0A:
undetectable		 2kceB-4ej0A:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fog THYMIDYLATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00303
(Thymidylat_synt) 		8 SER A  54
TRP A  80
TRP A  83
LEU A 143
ASP A 169
GLY A 173
PHE A 176
TYR A 209
 C2F  A 302 (-3.4A)
C2F  A 302 ( 3.8A)
C2F  A 302 (-3.9A)
C2F  A 302 (-4.8A)
C2F  A 302 ( 3.9A)
C2F  A 302 (-3.2A)
C2F  A 302 (-3.7A)
C2F  A 302 ( 4.6A)
 0.73A 2kceB-4fogA:
40.9		 2kceB-4fogA:
66.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 SER A  57
ASP A 172
GLY A 176
TYR A 212
VAL A 264
 None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
None
 0.84A 2kceB-4h0uA:
38.9		 2kceB-4h0uA:
63.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h0u THYMIDYLATE SYNTHASE

(Corynebacterium
glutamicum) 		PF00303
(Thymidylat_synt) 		5 SER A  57
ASP A 172
LEU A 175
GLY A 176
TYR A 212
 None
None
None
UMP  A 301 (-3.6A)
UMP  A 301 (-4.5A)
 0.72A 2kceB-4h0uA:
38.9		 2kceB-4h0uA:
63.67
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.
4hvm TLMII

(Streptoalloteichus
hindustanus) 		PF00668
(Condensation) 		5 LEU A  63
LEU A 133
GLY A 134
VAL A 154
ALA A 153
 None
 1.00A 2kceB-4hvmA:
undetectable		 2kceB-4hvmA:
17.94
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.
4ihe THNT PROTEIN

(Streptomyces
cattleya) 		PF03576
(Peptidase_S58) 		5 LEU A  86
ASP A  96
GLY A 124
PHE A 125
ALA A  67
 None
 1.08A 2kceB-4iheA:
undetectable		 2kceB-4iheA:
18.98
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.
4irn PROLYL-ACP
DEHYDROGENASE

([Oscillatoria]
sp. PCC 6506) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A  76
ASP A  82
GLY A  84
PHE A  87
ALA A  41
 None
None
None
FAD  A 400 (-4.9A)
None
 1.04A 2kceB-4irnA:
undetectable		 2kceB-4irnA:
20.05
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 104
LEU A  38
GLY A  37
VAL A 316
ALA A 319
 None
 1.14A 2kceB-4j3zA:
undetectable		 2kceB-4j3zA:
22.68
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.
4mfv BETA-CATENIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF08216
(CTNNBL) 		5 LEU A 117
LEU A 150
GLY A 151
VAL A 161
ALA A 160
 None
 1.20A 2kceB-4mfvA:
undetectable		 2kceB-4mfvA:
19.48
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.
4n6q VOSA

(Aspergillus
nidulans) 		PF11754
(Velvet) 		5 SER A 100
LEU A  77
GLY A  96
VAL A  44
ALA A  31
 None
 1.01A 2kceB-4n6qA:
undetectable		 2kceB-4n6qA:
21.03
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.
4ow8 SERINE/THREONINE-PRO
TEIN KINASE PKNA

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase) 		6 HIS A 117
SER A 114
LEU A 122
GLY A 207
VAL A 271
ALA A 270
 SO4  A 302 (-4.2A)
SO4  A 302 (-2.9A)
None
None
None
None
 1.41A 2kceB-4ow8A:
undetectable		 2kceB-4ow8A:
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.
4tvi AMINOTRANSFERASE,
CLASS IV

(Brucella
abortus) 		PF01063
(Aminotran_4) 		5 SER A  74
LEU A 103
GLY A 102
VAL A 112
ALA A 143
 None
 1.19A 2kceB-4tviA:
undetectable		 2kceB-4tviA:
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.
4uar PROTEIN CBBY

(Rhodobacter
sphaeroides) 		PF13419
(HAD_2) 		5 LEU A 220
ASP A  99
GLY A  96
PHE A 214
ALA A 102
 None
 1.21A 2kceB-4uarA:
undetectable		 2kceB-4uarA:
23.19
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.
4x28 ACYL-COA
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
no annotation 		5 HIS A 368
LEU A 345
GLY A 346
PHE D 352
VAL A 264
 None
 1.13A 2kceB-4x28A:
undetectable		 2kceB-4x28A:
20.88
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 SER A 131
LEU A 388
GLY A 387
PHE A 390
TYR A  55
 None
 1.19A 2kceB-4xnuA:
undetectable		 2kceB-4xnuA:
19.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xsc THYMIDYLATE SYNTHASE

(Human
alphaherpesvirus
3) 		PF00303
(Thymidylat_synt) 		6 LEU A 180
ASP A 206
LEU A 209
GLY A 210
PHE A 213
TYR A 246
 BVP  A1001 ( 4.5A)
None
None
BVP  A1001 (-3.4A)
1PE  A1002 (-3.8A)
BVP  A1001 (-4.5A)
 0.81A 2kceB-4xscA:
36.5		 2kceB-4xscA:
40.95
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.
4yf6 BETA-CARBONIC
ANHYDRASE 1

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		5 LEU A  46
LEU A  85
GLY A 148
VAL A  33
ALA A  34
 None
 1.16A 2kceB-4yf6A:
undetectable		 2kceB-4yf6A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dbn ACETATE
COA-TRANSFERASE
SUBUNIT BETA

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 SER B 132
LEU B  23
GLY B  24
VAL B  31
ALA B   8
 None
 1.24A 2kceB-5dbnB:
undetectable		 2kceB-5dbnB:
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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 SER A  88
TRP A  90
LEU A  23
VAL A  71
ALA A  74
 None
None
EDO  A 505 (-3.7A)
None
None
 1.23A 2kceB-5e4rA:
undetectable		 2kceB-5e4rA:
19.67
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.
5ez3 ACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 SER A 244
LEU A 188
GLY A 286
PHE A 246
VAL A 160
 None
 1.08A 2kceB-5ez3A:
undetectable		 2kceB-5ez3A:
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 HIS A 437
SER A 439
GLY A 417
VAL A 377
ALA A 376
 None
 1.17A 2kceB-5fnuA:
undetectable		 2kceB-5fnuA:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h3a ORF70

(Human
gammaherpesvirus
8) 		PF00303
(Thymidylat_synt) 		5 LEU A 216
ASP A 242
GLY A 246
PHE A 249
TYR A 282
 None
D16  A 401 ( 4.0A)
D16  A 401 ( 3.2A)
D16  A 401 (-3.4A)
UMP  A 402 (-4.5A)
 0.85A 2kceB-5h3aA:
36.6		 2kceB-5h3aA:
47.00
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.
5hrm HALOALKYLPHOSPHORUS
HYDROLASE

(Sphingobium sp.
TCM1) 		no annotation 5 HIS A 317
LEU A 435
LEU A 408
GLY A 409
ALA A 494
 MN  A 602 (-3.2A)
None
None
None
None
 1.17A 2kceB-5hrmA:
undetectable		 2kceB-5hrmA:
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.
5j6b ALDEHYDE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 TRP A 235
LEU A 454
LEU A 407
GLY A 406
PHE A 405
 None
 1.06A 2kceB-5j6bA:
undetectable		 2kceB-5j6bA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j7w THYMIDYLATE SYNTHASE

(Enterococcus
faecalis) 		PF00303
(Thymidylat_synt) 		5 ASP A 220
LEU A 223
GLY A 224
PHE A 227
TYR A 260
 None
 0.59A 2kceB-5j7wA:
36.3		 2kceB-5j7wA:
51.75
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.
5jjc CYSTEINE SYNTHASE

(Brucella
abortus) 		PF00291
(PALP) 		5 ASP A 208
LEU A 214
PHE A 217
VAL A 182
ALA A 181
 None
None
None
LLP  A  42 ( 4.0A)
None
 1.08A 2kceB-5jjcA:
undetectable		 2kceB-5jjcA:
20.83
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.
5jp5 GALECTIN-5

(Rattus
norvegicus) 		PF00337
(Gal-bind_lectin) 		5 HIS A 115
LEU A  84
GLY A  86
VAL A  67
ALA A  66
 None
 1.15A 2kceB-5jp5A:
undetectable		 2kceB-5jp5A:
18.59
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 TRP A 235
LEU A 454
LEU A 407
GLY A 406
PHE A 405
 None
GOL  A 502 (-3.9A)
NDP  A 500 ( 4.8A)
None
None
 1.05A 2kceB-5jryA:
undetectable		 2kceB-5jryA:
19.92
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 SER C 232
ASP C 259
LEU C 262
GLY C 261
VAL C  38
 None
 1.09A 2kceB-5ks8C:
undetectable		 2kceB-5ks8C:
18.36
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.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 LEU A  42
GLY A  41
PHE A  40
VAL A  61
ALA A  45
 None
 1.24A 2kceB-5kxiA:
undetectable		 2kceB-5kxiA:
21.16
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.
5mhj MAJOR VIRAL
TRANSCRIPTION FACTOR
ICP4

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		5 LEU A 380
GLY A 464
PHE A 465
VAL A 452
ALA A 453
 None
 1.20A 2kceB-5mhjA:
undetectable		 2kceB-5mhjA:
19.12
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.
5mhk RS1

(Human
alphaherpesvirus
1) 		PF03584
(Herpes_ICP4_N) 		5 LEU A 380
GLY A 464
PHE A 465
VAL A 452
ALA A 453
 None
 1.24A 2kceB-5mhkA:
undetectable		 2kceB-5mhkA:
17.97
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.
5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC

(Arabidopsis
thaliana) 		no annotation 5 LEU A 220
LEU A 165
GLY A 166
VAL A 182
ALA A 199
 None
None
PEO  A 406 (-3.5A)
None
None
 1.09A 2kceB-5nueA:
undetectable		 2kceB-5nueA:
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.
5swv PENTAFUNCTIONAL AROM
POLYPEPTIDE

(Schizosaccharomyces
pombe) 		PF01487
(DHquinase_I)
PF08501
(Shikimate_dh_N) 		5 SER C1487
LEU C1407
LEU C1482
GLY C1417
ALA C1511
 None
 1.17A 2kceB-5swvC:
undetectable		 2kceB-5swvC:
17.01
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 TRP A 403
LEU A 486
ASP A 513
LEU A 516
GLY A 517
PHE A 520
TYR A 553
ALA A 609
 CB3  A 703 (-4.1A)
UMP  A 701 (-4.7A)
CB3  A 703 ( 3.8A)
CB3  A 703 (-3.7A)
CB3  A 703 ( 3.0A)
CB3  A 703 (-3.8A)
UMP  A 701 (-4.4A)
CB3  A 703 (-3.8A)
 0.52A 2kceB-5t0lA:
39.1		 2kceB-5t0lA:
24.91
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.
5wgx FLAVIN-DEPENDENT
HALOGENASE

(Malbranchea
aurantiaca) 		PF04820
(Trp_halogenase) 		5 SER A 147
TRP A 272
GLY A 106
PHE A 105
ALA A 237
 None
 1.24A 2kceB-5wgxA:
undetectable		 2kceB-5wgxA:
17.37
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.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 LEU A 532
LEU A 642
GLY A 641
PHE A 639
ALA A 685
 None
 0.79A 2kceB-5wvgA:
undetectable		 2kceB-5wvgA:
12.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6auj THYMIDYLATE SYNTHASE

(Elizabethkingia
anophelis) 		PF00303
(Thymidylat_synt) 		5 SER A  62
ASP A 177
GLY A 181
PHE A 184
TYR A 217
 None
None
PGE  A 301 ( 4.0A)
PGE  A 301 (-3.7A)
None
 0.69A 2kceB-6aujA:
35.9		 2kceB-6aujA:
65.33
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.
6b0t FASCIN

(Homo sapiens) 		no annotation 5 SER A  36
LEU A  62
GLY A 113
VAL A  78
ALA A  72
 None
C7V  A 501 (-4.5A)
None
None
None
 1.15A 2kceB-6b0tA:
undetectable		 2kceB-6b0tA:
14.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 SER A  54
ASP A 169
LEU A 172
GLY A 173
PHE A 176
TYR A 209
 None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
UMP  A 702 ( 4.2A)
 0.58A 2kceB-6cdzA:
42.3		 2kceB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 SER A  54
ASP A 169
LEU A 172
GLY A 173
PHE A 176
VAL A 262
 None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
None
 1.11A 2kceB-6cdzA:
42.3		 2kceB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 6 SER A  54
LEU A 143
ASP A 169
LEU A 172
GLY A 173
PHE A 176
 None
None
CB3  A 701 ( 3.6A)
CB3  A 701 (-3.5A)
CB3  A 701 (-3.3A)
CB3  A 701 (-3.8A)
 0.85A 2kceB-6cdzA:
42.3		 2kceB-6cdzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cdz THYMIDYLATE SYNTHASE

(Escherichia
coli) 		no annotation 5 SER A  54
TRP A  80
LEU A 143
LEU A 172
PHE A 176
 None
None
None
CB3  A 701 (-3.5A)
CB3  A 701 (-3.8A)
 0.83A 2kceB-6cdzA:
42.3		 2kceB-6cdzA:
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT D

(Pyrococcus
furiosus) 		no annotation 5 LEU H 199
LEU H 186
GLY H 183
VAL H 210
ALA H 211
 None
 1.22A 2kceB-6cfwH:
undetectable		 2kceB-6cfwH:
13.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fmq -

(-) 		no annotation 5 HIS A 437
SER A 439
GLY A 417
VAL A 377
ALA A 376
 ACT  A 703 (-4.3A)
None
None
None
None
 1.13A 2kceB-6fmqA:
undetectable		 2kceB-6fmqA:
undetectable