SIMILAR PATTERNS OF AMINO ACIDS FOR 3LD6_B_KKKB602_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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		5 PHE A 260
TYR A 264
ALA A 233
THR A 243
ILE A 201
 None
 1.45A 3ld6B-1b1yA:
undetectable		 3ld6B-1b1yA:
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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		5 TYR B 274
PHE B 260
GLY A 223
THR A 204
ILE A 199
 None
 0.91A 3ld6B-1b5fB:
undetectable		 3ld6B-1b5fB:
10.63
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.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 PHE A 176
PHE A 314
PHE A 302
GLY A 379
ILE A 262
 None
 1.03A 3ld6B-1cs1A:
undetectable		 3ld6B-1cs1A:
22.47
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.
1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		5 PHE A  56
PHE A  88
GLY A  55
ILE A 175
MET A 169
 PEG  A 600 (-3.9A)
None
None
None
None
 1.49A 3ld6B-1gajA:
undetectable		 3ld6B-1gajA:
21.66
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.
1q44 STEROID
SULFOTRANSFERASE

(Arabidopsis
thaliana) 		PF00685
(Sulfotransfer_1) 		5 PHE A 115
GLY A 118
THR A  47
ILE A 201
MET A 167
 None
None
MLA  A 901 (-2.7A)
MLA  A 901 (-4.5A)
None
 1.06A 3ld6B-1q44A:
undetectable		 3ld6B-1q44A:
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.
1txc PATHOGENESIS-RELATED
CLASS 10 PROTEIN
SPE-16

(Pachyrhizus
erosus) 		PF00407
(Bet_v_1) 		5 PHE A 119
TYR A  82
TYR A  80
PHE A 142
ILE A  55
 None
None
None
2AN  A 716 ( 4.2A)
2AN  A 716 (-4.2A)
 1.43A 3ld6B-1txcA:
undetectable		 3ld6B-1txcA:
15.77
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 PHE A 358
TRP A 302
GLY A 555
ALA A 558
ILE A 414
 None
 1.26A 3ld6B-1w6sA:
undetectable		 3ld6B-1w6sA:
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 PHE A 358
TRP A 302
GLY A 555
ALA A 558
ILE A 414
 None
 1.24A 3ld6B-2d0vA:
undetectable		 3ld6B-2d0vA:
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.
2e3i RESTIN

(Homo sapiens) 		PF01302
(CAP_GLY) 		5 PHE A  82
GLY A  78
ALA A  88
THR A 119
ILE A 117
 None
 1.43A 3ld6B-2e3iA:
undetectable		 3ld6B-2e3iA:
11.06
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.
2hwj HYPOTHETICAL PROTEIN
ATU1540

(Agrobacterium
fabrum) 		PF08857
(ParBc_2) 		5 PHE A  91
PHE A 159
ALA A  23
ILE A 124
MET A 103
 None
 1.50A 3ld6B-2hwjA:
undetectable		 3ld6B-2hwjA:
17.99
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.
2oqh PUTATIVE ISOMERASE

(Streptomyces
coelicolor) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A  78
TRP A 105
ALA A  64
ILE A   5
MET A 108
 None
 1.50A 3ld6B-2oqhA:
undetectable		 3ld6B-2oqhA:
21.08
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.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		5 TYR A 283
GLY A 208
ALA A 178
THR A 182
ILE A 125
 None
 1.02A 3ld6B-2oryA:
undetectable		 3ld6B-2oryA:
22.43
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.
2osy ENDOGLYCOCERAMIDASE
II

(Rhodococcus sp.) 		PF00150
(Cellulase) 		5 PHE A 191
ALA A 160
THR A 165
ILE A 143
MET A 188
 None
 1.25A 3ld6B-2osyA:
undetectable		 3ld6B-2osyA:
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.
2rkj TYROSYL-TRNA
SYNTHETASE

(Neurospora
crassa) 		PF00579
(tRNA-synt_1b) 		5 PHE A 325
PHE A 121
GLY A 195
ALA A 130
ILE A 268
 None
None
A  C  66 ( 4.5A)
None
None
 1.29A 3ld6B-2rkjA:
undetectable		 3ld6B-2rkjA:
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 PHE A 327
PHE A 435
GLY A 432
ALA A 430
THR A 118
 None
 1.37A 3ld6B-2veoA:
undetectable		 3ld6B-2veoA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yek BROMODOMAIN-CONTAINI
NG PROTEIN 2

(Homo sapiens) 		PF00439
(Bromodomain) 		5 PHE A 145
TYR A 113
GLY A 109
ILE A 162
MET A 148
 None
None
None
EAM  A1188 (-3.8A)
None
 1.49A 3ld6B-2yekA:
undetectable		 3ld6B-2yekA:
15.98
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.
3c8v PUTATIVE
ACETYLTRANSFERASE

(Desulfovibrio
alaskensis) 		no annotation 5 PHE A 415
GLY A 340
ALA A 324
ILE A 330
MET A 355
 None
 1.48A 3ld6B-3c8vA:
undetectable		 3ld6B-3c8vA:
20.86
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.
3gha DISULFIDE BOND
FORMATION PROTEIN D

(Bacillus
subtilis) 		PF13462
(Thioredoxin_4) 		5 PHE A  75
TYR A  67
GLY A 150
ALA A 153
THR A 157
 None
 1.47A 3ld6B-3ghaA:
undetectable		 3ld6B-3ghaA:
20.95
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.
3hwk METHYLCITRATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		5 PHE A 344
TYR A 176
PHE A  89
THR A 362
ILE A 358
 None
 1.36A 3ld6B-3hwkA:
undetectable		 3ld6B-3hwkA:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
PHE A 110
ALA A 291
THR A 295
MET A 360
MET A 460
 None
None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
None
 1.00A 3ld6B-3kswA:
38.7		 3ld6B-3kswA:
36.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 TYR A 103
PHE A 110
TYR A 116
ALA A 291
MET A 360
MET A 460
 None
None
VNF  A 490 (-4.6A)
VNF  A 490 ( 4.0A)
None
None
 1.05A 3ld6B-3kswA:
38.7		 3ld6B-3kswA:
36.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 PHE A 109
TYR A 115
ALA A 290
THR A 294
MET A 359
 TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
None
 0.96A 3ld6B-3l4dA:
46.0		 3ld6B-3l4dA:
35.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 TYR A 102
TYR A 115
ALA A 290
THR A 294
MET A 359
 HEM  A 481 (-4.7A)
HEM  A 481 ( 4.9A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
None
 0.66A 3ld6B-3l4dA:
46.0		 3ld6B-3l4dA:
35.02
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.
3l4k DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 PHE A 617
PHE A 559
GLY A 460
ALA A 457
THR A 448
 None
 1.00A 3ld6B-3l4kA:
undetectable		 3ld6B-3l4kA:
19.53
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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 TYR A  88
TYR A 196
PHE A 109
ALA A 164
MET A 226
 OAA  A 430 (-4.4A)
OAA  A 430 (-4.5A)
OAA  A 430 (-4.5A)
None
None
 1.33A 3ld6B-3msuA:
undetectable		 3ld6B-3msuA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 TYR A 142
GLY A 181
ALA A 612
THR A 614
ILE A 290
 None
 1.45A 3ld6B-3ne5A:
undetectable		 3ld6B-3ne5A:
18.76
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.
3ng0 GLUTAMINE SYNTHETASE

(Synechocystis
sp. PCC 6803) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 PHE A 205
PHE A  52
GLY A  54
THR A  27
ILE A  25
 None
 1.48A 3ld6B-3ng0A:
undetectable		 3ld6B-3ng0A:
21.48
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 PHE A 503
GLY A 461
ALA A 459
ILE A 380
MET A 413
 None
 1.49A 3ld6B-3opyA:
undetectable		 3ld6B-3opyA:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rdv CAP-GLY
DOMAIN-CONTAINING
LINKER PROTEIN 1

(Homo sapiens) 		PF01302
(CAP_GLY) 		5 PHE A  82
GLY A  78
ALA A  88
THR A 119
ILE A 117
 None
 1.44A 3ld6B-3rdvA:
undetectable		 3ld6B-3rdvA:
9.76
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT L
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 PHE L 208
TYR L 189
GLY M 340
ALA M 337
THR M 332
 None
 1.45A 3ld6B-3rkoL:
undetectable		 3ld6B-3rkoL:
21.82
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.
3s4y THIAMIN
PYROPHOSPHOKINASE 1

(Homo sapiens) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 PHE A  32
PHE A 101
ALA A 145
THR A 149
ILE A 122
 None
 1.48A 3ld6B-3s4yA:
undetectable		 3ld6B-3s4yA:
21.49
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.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		5 PHE A 368
PHE A 309
GLY A 268
ALA A 270
THR A 272
 None
 1.44A 3ld6B-3votA:
undetectable		 3ld6B-3votA:
21.90
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.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 PHE A 320
TYR A 217
PHE A 127
THR A  83
ILE A  80
 None
 1.33A 3ld6B-3wt0A:
undetectable		 3ld6B-3wt0A:
21.66
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.
4aah METHANOL
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF13360
(PQQ_2) 		5 PHE A 351
TRP A 296
GLY A 546
ALA A 549
ILE A 407
 None
 1.21A 3ld6B-4aahA:
undetectable		 3ld6B-4aahA:
21.46
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.
4bqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Trypanosoma
brucei) 		PF01704
(UDPGP) 		5 PHE A 531
PHE A 132
GLY A 124
ALA A 436
THR A 443
 None
 1.31A 3ld6B-4bqhA:
undetectable		 3ld6B-4bqhA:
21.09
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.
4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 197
PHE A 569
PHE A 162
ILE A 403
MET A 397
 None
 1.47A 3ld6B-4f99A:
undetectable		 3ld6B-4f99A:
22.03
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.
4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 TYR A 254
GLY A 201
ALA A 241
THR A 206
ILE A 261
 None
 1.20A 3ld6B-4fdjA:
undetectable		 3ld6B-4fdjA:
24.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 PHE A 110
TYR A 116
ALA A 291
THR A 295
MET A 360
 VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 (-4.5A)
 0.86A 3ld6B-4g3jA:
45.9		 3ld6B-4g3jA:
35.47
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 PHE A 617
PHE A 559
GLY A 460
ALA A 457
THR A 448
 None
 1.17A 3ld6B-4gfhA:
undetectable		 3ld6B-4gfhA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		5 PHE A 427
ALA A 404
THR A 408
ILE A 413
MET A 437
 None
 1.42A 3ld6B-4grxA:
undetectable		 3ld6B-4grxA:
21.89
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 181
PHE A 189
ALA A 219
THR A 251
MET A 202
 None
 1.35A 3ld6B-4hnlA:
undetectable		 3ld6B-4hnlA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		5 PHE A  76
PHE A 361
PHE A 308
GLY A 360
ILE A  98
 None
 1.45A 3ld6B-4iviA:
undetectable		 3ld6B-4iviA:
22.67
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.
4ixo NIFS-LIKE PROTEIN

(Rickettsia
africae) 		PF00266
(Aminotran_5) 		5 PHE A 167
PHE A 240
PHE A 175
GLY A 241
ILE A  57
 None
 1.47A 3ld6B-4ixoA:
undetectable		 3ld6B-4ixoA:
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.
4kh3 ANTIGEN 43

(Escherichia
coli) 		PF16168
(AIDA) 		5 TYR A 207
GLY A 194
ALA A 196
THR A 182
ILE A 184
 None
 1.38A 3ld6B-4kh3A:
undetectable		 3ld6B-4kh3A:
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.
4llv 4E10 FV HEAVY CHAIN
4E10 FV LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 PHE B  71
PHE A 100
GLY A  50
ALA A  33
ILE A 100
 None
 1.48A 3ld6B-4llvB:
undetectable		 3ld6B-4llvB:
12.47
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 TYR A 604
PHE A  28
GLY A  25
ALA A 331
THR A 337
 None
 1.36A 3ld6B-4mifA:
undetectable		 3ld6B-4mifA:
21.46
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.
4pia AUTOLYSIN E

(Staphylococcus
aureus) 		PF01832
(Glucosaminidase) 		5 PHE A 161
PHE A 117
GLY A 193
ALA A 189
ILE A 109
 None
 1.22A 3ld6B-4piaA:
undetectable		 3ld6B-4piaA:
19.87
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 TYR A  91
GLY A  96
ALA A  98
THR A 101
ILE A  84
 289  A 405 (-4.7A)
None
None
None
None
 1.40A 3ld6B-4q1qA:
undetectable		 3ld6B-4q1qA:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 TYR A 261
GLY A 266
ALA A 268
THR A 271
ILE A 254
 None
 1.39A 3ld6B-4q1qA:
undetectable		 3ld6B-4q1qA:
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 PHE A 371
PHE A 290
GLY A 296
ALA A 299
ILE A 175
 None
None
None
None
EDO  A 411 (-4.2A)
 1.40A 3ld6B-4qa9A:
undetectable		 3ld6B-4qa9A:
23.11
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.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 PHE A 466
TRP A 177
GLY A  93
ALA A  97
THR A 101
 None
 1.43A 3ld6B-4qyjA:
undetectable		 3ld6B-4qyjA:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 105
PHE A 139
PHE A 234
TRP A 239
THR A 315
 VFV  A 600 (-3.4A)
VFV  A 580 (-4.2A)
VFV  A 580 (-3.5A)
VFV  A 580 ( 3.5A)
HEM  A 540 (-3.6A)
 1.33A 3ld6B-4uhiA:
45.8		 3ld6B-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 105
PHE A 139
TRP A 239
THR A 315
MET A 487
 VFV  A 600 (-3.4A)
VFV  A 580 (-4.2A)
VFV  A 580 ( 3.5A)
HEM  A 540 (-3.6A)
VFV  A 580 (-3.6A)
 1.27A 3ld6B-4uhiA:
45.8		 3ld6B-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		8 PHE A 105
TYR A 131
PHE A 139
GLY A 307
ALA A 311
THR A 315
ILE A 377
MET A 487
 VFV  A 600 (-3.4A)
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
VFV  A 580 (-3.6A)
 0.78A 3ld6B-4uhiA:
45.8		 3ld6B-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		10 PHE A 105
TYR A 131
PHE A 139
TYR A 145
PHE A 234
GLY A 307
ALA A 311
THR A 315
ILE A 377
MET A 381
 VFV  A 600 (-3.4A)
VFV  A 580 (-4.1A)
VFV  A 580 (-4.2A)
HEM  A 540 (-4.5A)
VFV  A 580 (-3.5A)
VFV  A 580 (-2.9A)
HEM  A 540 ( 3.4A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
VFV  A 600 (-3.8A)
 0.75A 3ld6B-4uhiA:
45.8		 3ld6B-4uhiA:
99.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 TYR A 122
PHE A 130
TYR A 136
ALA A 307
ILE A 373
 VOR  A 590 (-3.8A)
VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
VOR  A 590 ( 4.0A)
HEM  A 580 (-4.1A)
 0.71A 3ld6B-4uymA:
48.1		 3ld6B-4uymA:
39.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uym 14-ALPHA STEROL
DEMETHYLASE

(Aspergillus
fumigatus) 		PF00067
(p450) 		5 TYR A 122
PHE A 130
TYR A 136
PHE A 229
ALA A 307
 VOR  A 590 (-3.8A)
VOR  A 590 (-4.6A)
HEM  A 580 (-4.6A)
None
VOR  A 590 ( 4.0A)
 0.70A 3ld6B-4uymA:
48.1		 3ld6B-4uymA:
39.63
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.
4y96 TRIOSEPHOSPHATE
ISOMERASE

(Gemmata
obscuriglobus) 		PF00121
(TIM) 		5 TYR A 152
PHE A 163
GLY A 203
ALA A 207
ILE A 168
 None
None
CA  A 304 ( 4.2A)
None
None
 1.18A 3ld6B-4y96A:
undetectable		 3ld6B-4y96A:
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.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		5 PHE A  73
GLY A  40
ALA A  96
THR A 119
ILE A 124
 T6T  A 401 ( 4.5A)
None
None
None
None
 1.25A 3ld6B-5dkvA:
undetectable		 3ld6B-5dkvA:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		6 TYR A 118
PHE A 126
TYR A 132
PHE A 228
GLY A 303
THR A 311
 X2N  A 590 ( 4.0A)
X2N  A 590 (-4.8A)
HEM  A 580 (-4.1A)
X2N  A 590 (-4.9A)
X2N  A 590 ( 4.8A)
HEM  A 580 (-3.6A)
 0.97A 3ld6B-5fsaA:
46.3		 3ld6B-5fsaA:
39.88
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.
5hdm GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3) 		5 PHE A 366
PHE A 401
GLY A 365
THR A 411
ILE A 420
 None
 1.26A 3ld6B-5hdmA:
undetectable		 3ld6B-5hdmA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		5 PHE A 134
TYR A 140
GLY A 310
THR A 318
MET A 509
 VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.3A)
HEM  A 601 (-3.4A)
VOR  A 602 ( 4.2A)
 0.59A 3ld6B-5hs1A:
45.4		 3ld6B-5hs1A:
35.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hs1 LANOSTEROL 14-ALPHA
DEMETHYLASE

(Saccharomyces
cerevisiae) 		PF00067
(p450) 		6 TYR A 126
PHE A 134
TYR A 140
PHE A 236
GLY A 310
THR A 318
 VOR  A 602 ( 3.8A)
VOR  A 602 (-4.7A)
HEM  A 601 (-4.3A)
VOR  A 602 (-4.4A)
VOR  A 602 (-4.3A)
HEM  A 601 (-3.4A)
 0.75A 3ld6B-5hs1A:
45.4		 3ld6B-5hs1A:
35.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jlc LANOSTEROL 14-ALPHA
DEMETHYLASE

([Candida]
glabrata) 		PF00067
(p450) 		6 TYR A 127
PHE A 135
TYR A 141
PHE A 237
GLY A 311
THR A 319
 1YN  A 602 ( 3.8A)
1YN  A 602 ( 4.6A)
HEM  A 601 (-4.2A)
1YN  A 602 (-4.5A)
1YN  A 602 (-3.9A)
HEM  A 601 ( 3.5A)
 0.78A 3ld6B-5jlcA:
44.9		 3ld6B-5jlcA:
35.95
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.
5jmu PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE

([Eubacterium]
rectale) 		PF01522
(Polysacc_deac_1) 		5 PHE A 386
GLY A 340
ALA A 337
THR A 377
ILE A 373
 None
 1.40A 3ld6B-5jmuA:
undetectable		 3ld6B-5jmuA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kov CAPSID POLYPROTEIN
VP90
PL-2 SCFV CHAIN

(Mamastrovirus
1;
Mus musculus) 		PF07686
(V-set)
PF12226
(Astro_capsid_p) 		5 GLY C 101
ALA A 458
THR A 455
ILE A 479
MET A 511
 None
 1.45A 3ld6B-5kovC:
undetectable		 3ld6B-5kovC:
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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 PHE A 779
GLY A 818
ALA A 820
THR A 799
ILE A 763
 None
 1.36A 3ld6B-5ksdA:
2.1		 3ld6B-5ksdA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz8 ALDEHYDE
DEHYDROGENASE 21

(Physcomitrella
patens) 		PF00171
(Aldedh) 		5 TYR A 405
GLY A 365
ALA A 360
ILE A 397
MET A 305
 None
 1.18A 3ld6B-5mz8A:
undetectable		 3ld6B-5mz8A:
21.90
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.
5o63 RESTRICTION
ENDONUCLEASE UBALAI

(unidentified) 		no annotation 5 PHE A 140
PHE A  49
GLY A 122
ALA A 114
ILE A 160
 None
 1.33A 3ld6B-5o63A:
undetectable		 3ld6B-5o63A:
16.27
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 150
TYR A  39
GLY A 603
THR A 245
ILE A 189
 None
 1.22A 3ld6B-5vncA:
undetectable		 3ld6B-5vncA:
10.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 5 TYR A 210
PHE A 151
GLY A 231
ALA A 235
ILE A 240
 None
 1.41A 3ld6B-5x9wA:
undetectable		 3ld6B-5x9wA:
19.49
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.
5ys9 ACYL-COENZYME A
OXIDASE 3

(Yarrowia
lipolytica) 		no annotation 5 PHE A 643
PHE A 441
GLY A 431
ALA A 429
ILE A 321
 None
 1.48A 3ld6B-5ys9A:
undetectable		 3ld6B-5ys9A:
11.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
PHE A 114
TYR A 120
ALA A 293
MET A 362
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 ( 3.2A)
None
 0.69A 3ld6B-6ay4A:
36.2		 3ld6B-6ay4A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
PHE A 114
TYR A 120
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
TPF  A 506 (-4.4A)
None
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.70A 3ld6B-6ay4A:
36.2		 3ld6B-6ay4A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
TYR A 120
GLY A 290
ALA A 293
MET A 362
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
None
 0.99A 3ld6B-6ay4A:
36.2		 3ld6B-6ay4A:
40.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 TYR A 107
TYR A 120
GLY A 290
ALA A 293
THR A 297
 TPF  A 506 (-4.2A)
None
TPF  A 506 ( 4.6A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.94A 3ld6B-6ay4A:
36.2		 3ld6B-6ay4A:
40.88
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.
6bq9 DNA TOPOISOMERASE 4
SUBUNIT A

(Pseudomonas
putida) 		no annotation 5 TYR A 102
GLY A 109
ALA A 130
THR A  73
ILE A  52
 None
 1.27A 3ld6B-6bq9A:
undetectable		 3ld6B-6bq9A:
13.25
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 255
GLY A 163
ALA A 119
ILE A 170
MET A  91
 None
 1.46A 3ld6B-6c26A:
undetectable		 3ld6B-6c26A:
10.02
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 PHE A 303
TYR A 360
PHE A 388
ALA A 374
ILE A 271
 None
 1.21A 3ld6B-6cipA:
undetectable		 3ld6B-6cipA:
10.05
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.
6dft -

(-) 		no annotation 5 TYR B 143
GLY B 214
ALA B  99
THR B  97
ILE B  75
 None
NAD  B 500 (-3.6A)
NAD  B 500 (-3.2A)
None
None
 1.36A 3ld6B-6dftB:
undetectable		 3ld6B-6dftB:
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 5 PHE A 289
TRP A 312
ALA A 276
ILE A 281
MET A 297
 None
 1.47A 3ld6B-6fbtA:
undetectable		 3ld6B-6fbtA:
10.02
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.
6gu8 -

(-) 		no annotation 5 TYR A 315
TYR A 312
GLY A 285
ALA A 329
ILE A  63
 None
 1.40A 3ld6B-6gu8A:
undetectable		 3ld6B-6gu8A:
undetectable