SIMILAR PATTERNS OF AMINO ACIDS FOR 3MDR_B_GJZB506

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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		4 ILE B 442
ALA B 441
ALA B 510
THR B 507
 None
 1.06A 3mdrB-1a6dB:
0.3		 3mdrB-1a6dB:
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.
1f59 IMPORTIN BETA-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 ILE A 371
ALA A 386
ALA A 428
THR A 431
 None
 0.91A 3mdrB-1f59A:
0.0		 3mdrB-1f59A:
23.58
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.
1fp2 ISOFLAVONE
O-METHYLTRANSFERASE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		4 PHE A  84
ILE A  41
ALA A  36
ALA A 112
 None
 1.00A 3mdrB-1fp2A:
0.0		 3mdrB-1fp2A:
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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		4 PHE A 212
ILE A 207
ALA A 244
ALA A 278
 None
 1.07A 3mdrB-1gzvA:
0.0		 3mdrB-1gzvA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kjn MTH0777

(Methanothermobacter
thermautotrophicus) 		PF09001
(DUF1890) 		4 ILE A 133
ALA A 108
THR A 106
ALA A  99
 None
 1.07A 3mdrB-1kjnA:
undetectable		 3mdrB-1kjnA:
17.44
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 PHE A 277
ILE A 297
ALA A 296
ALA A 288
 None
 0.77A 3mdrB-1knrA:
undetectable		 3mdrB-1knrA:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ILE A 296
ALA A 292
ALA A 236
THR A 239
 None
BDP  A1001 ( 4.2A)
NAG  A1002 ( 4.8A)
BDP  A1003 ( 4.9A)
 0.86A 3mdrB-1n7rA:
undetectable		 3mdrB-1n7rA:
18.63
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.
1r76 PECTATE LYASE

(Niveispirillum
irakense) 		PF09492
(Pec_lyase) 		4 PHE A 325
ILE A 275
ALA A 274
ALA A 267
 None
 1.01A 3mdrB-1r76A:
0.0		 3mdrB-1r76A:
21.71
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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		4 ILE A 121
ALA A 122
ALA A  76
THR A  72
 None
 1.06A 3mdrB-1u60A:
undetectable		 3mdrB-1u60A:
21.27
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.
1xkq SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5D234)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		4 ILE A 164
ALA A 163
ALA A  97
THR A 117
 None
 1.01A 3mdrB-1xkqA:
undetectable		 3mdrB-1xkqA:
22.41
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.
1zcz BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Thermotoga
maritima) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 PHE A 402
ALA A 380
THR A 384
ALA A 414
 None
 0.90A 3mdrB-1zczA:
undetectable		 3mdrB-1zczA:
26.11
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.
1zef ALKALINE PHOSPHATASE

(Homo sapiens) 		PF00245
(Alk_phosphatase) 		4 ALA A  51
THR A  48
ALA A 327
THR A 331
 None
 1.08A 3mdrB-1zefA:
undetectable		 3mdrB-1zefA:
23.76
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		4 ILE A 207
ALA A 208
ALA A 301
THR A 303
 None
 1.04A 3mdrB-1zmrA:
undetectable		 3mdrB-1zmrA:
24.50
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.
2ajh LEUCYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF13603
(tRNA-synt_1_2) 		4 PHE A 348
ALA A 260
ALA A 268
THR A 305
 None
 0.91A 3mdrB-2ajhA:
undetectable		 3mdrB-2ajhA:
17.90
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.
2b2i AMMONIUM TRANSPORTER

(Archaeoglobus
fulgidus) 		PF00909
(Ammonium_transp) 		4 PHE A 117
ILE A 101
ALA A 102
ALA A 301
 None
 1.07A 3mdrB-2b2iA:
undetectable		 3mdrB-2b2iA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 PHE A 310
ILE A 296
ALA A 297
ALA A 305
 None
 0.91A 3mdrB-2b3xA:
undetectable		 3mdrB-2b3xA:
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.
2d86 VAV-3 PROTEIN

(Homo sapiens) 		PF11971
(CAMSAP_CH) 		4 PHE A  93
ILE A 127
ALA A 128
THR A 131
 None
 0.99A 3mdrB-2d86A:
undetectable		 3mdrB-2d86A:
16.97
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 PHE A 244
ILE A 264
ALA A 263
ALA A 255
 None
 0.96A 3mdrB-2e5vA:
undetectable		 3mdrB-2e5vA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2flz CIS-3-CHLOROACRYLIC
ACID DEHALOGENASE

(coryneform
bacterium) 		PF14832
(Tautomerase_3) 		4 PHE A  43
ALA A  21
THR A  25
ALA A  39
 None
 1.07A 3mdrB-2flzA:
undetectable		 3mdrB-2flzA:
15.94
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.
2fsv NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Rhodospirillum
rubrum) 		PF02233
(PNTB) 		4 PHE C 119
ILE C  50
ALA C 125
ALA C 130
 None
None
None
NAP  C 700 (-3.4A)
 1.07A 3mdrB-2fsvC:
undetectable		 3mdrB-2fsvC:
17.59
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.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 PHE A 108
THR A  23
ALA A  34
THR A  38
 None
 1.00A 3mdrB-2ipfA:
undetectable		 3mdrB-2ipfA:
21.94
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.
2lcy VIRION SPIKE
GLYCOPROTEIN

(Zaire
ebolavirus) 		no annotation 4 ILE A 542
ALA A 539
ALA A 525
THR A 520
 None
 0.94A 3mdrB-2lcyA:
undetectable		 3mdrB-2lcyA:
7.88
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.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 ILE A 254
ALA A 253
ALA A 375
THR A 400
 None
LLP  A 405 ( 3.4A)
LLP  A 405 ( 3.6A)
None
 1.03A 3mdrB-2okjA:
undetectable		 3mdrB-2okjA:
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.
2okk GLUTAMATE
DECARBOXYLASE 2

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 ILE A 245
ALA A 244
ALA A 366
THR A 391
 None
LLP  A 396 ( 3.3A)
LLP  A 396 ( 3.5A)
None
 0.99A 3mdrB-2okkA:
undetectable		 3mdrB-2okkA:
20.53
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.
2pyx TRYPTOPHAN
HALOGENASE

(Shewanella
frigidimarina) 		PF04820
(Trp_halogenase) 		4 ILE A 347
ALA A 348
ALA A  17
THR A  21
 None
None
TLA  A 527 (-3.3A)
None
 0.98A 3mdrB-2pyxA:
undetectable		 3mdrB-2pyxA:
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 PHE A 295
ILE A 329
ALA A 373
THR A 376
 None
 1.00A 3mdrB-2q1fA:
undetectable		 3mdrB-2q1fA:
18.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		6 PHE A 121
ILE A 301
ALA A 302
THR A 306
ALA A 367
THR A 475
 None
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
 0.52A 3mdrB-2q9gA:
65.9		 3mdrB-2q9gA:
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.
2qna IMPORTIN SUBUNIT
BETA-1

(Homo sapiens) 		PF13513
(HEAT_EZ) 		4 ILE A 371
ALA A 386
ALA A 428
THR A 431
 None
 0.83A 3mdrB-2qnaA:
undetectable		 3mdrB-2qnaA:
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.
2qvw GLP_546_48378_50642

(Giardia
intestinalis) 		PF00636
(Ribonuclease_3)
PF02170
(PAZ) 		4 PHE A 112
ILE A 268
ALA A 269
ALA A 108
 None
 0.90A 3mdrB-2qvwA:
undetectable		 3mdrB-2qvwA:
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.
2vdu TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE-ASSOCI
ATED WD REPEAT
PROTEIN TRM82

(Saccharomyces
cerevisiae) 		no annotation 4 ILE B  22
ALA B  21
ALA B 384
THR B 370
 None
 0.99A 3mdrB-2vduB:
undetectable		 3mdrB-2vduB:
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.
2yjg LACTATE RACEMASE
APOPROTEIN

(Thermoanaerobacterium
thermosaccharolyticum) 		PF09861
(DUF2088) 		4 ILE A 405
ALA A 402
ALA A 392
THR A 390
 None
 1.06A 3mdrB-2yjgA:
undetectable		 3mdrB-2yjgA:
19.25
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.
2z6g B-CATENIN

(Danio rerio) 		PF00514
(Arm) 		4 ILE A 464
ALA A 463
THR A 449
ALA A 445
 None
 1.08A 3mdrB-2z6gA:
undetectable		 3mdrB-2z6gA:
22.21
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.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		4 ILE A 465
ALA A 464
THR A 450
ALA A 446
 None
 1.09A 3mdrB-2z6hA:
undetectable		 3mdrB-2z6hA:
21.20
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus) 		PF00067
(p450) 		4 ILE A 243
ALA A 244
THR A 248
ALA A 291
 VDX  A 501 (-4.2A)
HEM  A 413 (-3.5A)
HEM  A 413 (-3.2A)
HEM  A 413 ( 3.7A)
 0.77A 3mdrB-2zbzA:
33.3		 3mdrB-2zbzA:
27.10
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.
3b6y GAMMA-INTERFERON-IND
UCIBLE PROTEIN
IFI-16

(Homo sapiens) 		PF02760
(HIN) 		4 PHE A 168
ILE A 188
THR A 153
THR A 133
 None
 1.04A 3mdrB-3b6yA:
undetectable		 3mdrB-3b6yA:
19.68
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		4 ILE A 309
ALA A 310
THR A 314
THR A 488
 None
HEM  A 601 (-3.3A)
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
 0.41A 3mdrB-3c6gA:
35.7		 3mdrB-3c6gA:
27.25
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.
3dr2 EXPORTED
GLUCONOLACTONASE

(Xanthomonas
campestris) 		PF08450
(SGL) 		4 ILE A 109
ALA A 108
ALA A  86
THR A  88
 None
 0.98A 3mdrB-3dr2A:
undetectable		 3mdrB-3dr2A:
22.29
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.
3ekm DIAMINOPIMELATE
EPIMERASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01678
(DAP_epimerase) 		4 PHE A  74
ILE A  52
ALA A  57
ALA A  69
 None
 1.01A 3mdrB-3ekmA:
undetectable		 3mdrB-3ekmA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		4 ILE A 165
ALA A 210
ALA A 233
THR A 236
 None
 1.05A 3mdrB-3gveA:
undetectable		 3mdrB-3gveA:
19.18
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		4 ILE A 324
ALA A 321
ALA A 316
THR A 355
 None
 1.06A 3mdrB-3hutA:
undetectable		 3mdrB-3hutA:
21.73
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.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 PHE A   8
ILE A  58
ALA A  59
ALA A  69
 None
 1.07A 3mdrB-3hz6A:
undetectable		 3mdrB-3hz6A:
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.
3m2t PROBABLE
DEHYDROGENASE

(Chromobacterium
violaceum) 		PF01408
(GFO_IDH_MocA) 		4 PHE A 215
ILE A 186
ALA A 185
ALA A 211
 None
 1.03A 3mdrB-3m2tA:
undetectable		 3mdrB-3m2tA:
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		4 ILE A 148
THR A  42
ALA A 220
THR A 183
 None
 1.02A 3mdrB-3nd0A:
undetectable		 3mdrB-3nd0A:
24.72
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.
3nu8 AMINOTRANSFERASE
WBPE

(Pseudomonas
aeruginosa) 		PF01041
(DegT_DnrJ_EryC1) 		4 ILE A  65
ALA A  62
ALA A  87
THR A  91
 None
None
LLP  A 185 ( 3.6A)
None
 1.07A 3mdrB-3nu8A:
undetectable		 3mdrB-3nu8A:
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.
3orf DIHYDROPTERIDINE
REDUCTASE

(Dictyostelium
discoideum) 		PF00106
(adh_short) 		4 PHE A  88
ILE A 136
ALA A 137
THR A 141
 None
 0.84A 3mdrB-3orfA:
undetectable		 3mdrB-3orfA:
19.02
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.
3pct CLASS C ACID
PHOSPHATASE

(Pasteurella
multocida) 		PF03767
(Acid_phosphat_B) 		4 PHE A 143
ILE A  69
ALA A 101
ALA A  36
 None
 0.97A 3mdrB-3pctA:
undetectable		 3mdrB-3pctA:
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.
3prb FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Methanocaldococcus
jannaschii) 		PF00254
(FKBP_C) 		4 PHE A 216
ILE A 200
ALA A 201
ALA A 211
 None
 0.80A 3mdrB-3prbA:
undetectable		 3mdrB-3prbA:
21.05
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.
3ptk BETA-GLUCOSIDASE
OS4BGLU12

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 ILE A 153
ALA A 225
THR A 229
ALA A 160
 None
 0.76A 3mdrB-3ptkA:
undetectable		 3mdrB-3ptkA:
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		4 PHE A 137
ILE A  89
ALA A 121
THR A 124
 None
 0.79A 3mdrB-3r3hA:
undetectable		 3mdrB-3r3hA:
20.54
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		4 ILE A 663
ALA A 662
THR A 397
ALA A 369
 None
 1.01A 3mdrB-3rdeA:
undetectable		 3mdrB-3rdeA:
22.73
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.
3ry7 RIBOKINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		4 ILE A  48
ALA A  49
ALA A  55
THR A  57
 None
 1.07A 3mdrB-3ry7A:
undetectable		 3mdrB-3ry7A:
21.51
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.
3sh5 LG3 PEPTIDE

(Homo sapiens) 		PF00054
(Laminin_G_1) 		4 PHE A  18
ILE A 138
ALA A 188
THR A 190
 None
 1.08A 3mdrB-3sh5A:
undetectable		 3mdrB-3sh5A:
20.70
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.
3tev GLYCOSYL HYROLASE,
FAMILY 3

(Deinococcus
radiodurans) 		PF00933
(Glyco_hydro_3) 		4 ILE A 133
ALA A 151
THR A 155
ALA A 211
 None
 0.89A 3mdrB-3tevA:
undetectable		 3mdrB-3tevA:
24.68
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 PHE A  93
ILE A 114
ALA A 115
ALA A 403
 None
 0.84A 3mdrB-3u4aA:
undetectable		 3mdrB-3u4aA:
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.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		4 ILE A  10
ALA A   9
ALA A  93
THR A  90
 None
 0.81A 3mdrB-3votA:
undetectable		 3mdrB-3votA:
23.69
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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		4 ILE A  82
ALA A  79
ALA A 170
THR A 166
 None
 1.00A 3mdrB-4a0mA:
undetectable		 3mdrB-4a0mA:
21.62
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.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		4 PHE A 348
ALA A 260
ALA A 268
THR A 305
 None
 0.96A 3mdrB-4arcA:
undetectable		 3mdrB-4arcA:
20.43
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		4 PHE A 579
ALA A 600
THR A 602
ALA A 452
 None
 1.05A 3mdrB-4b3gA:
undetectable		 3mdrB-4b3gA:
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.
4bej DYNAMIN 1-LIKE
PROTEIN

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		4 ILE A 199
ALA A 196
ALA A 212
THR A 210
 None
 1.01A 3mdrB-4bejA:
undetectable		 3mdrB-4bejA:
23.35
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.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 ILE A  59
ALA A  34
THR A  36
THR A  74
 None
 1.08A 3mdrB-4da9A:
undetectable		 3mdrB-4da9A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4djf CORRINOID/IRON-SULFU
R PROTEIN LARGE
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD)
PF04060
(FeS) 		4 ILE C  96
ALA C  95
ALA C 266
THR C 268
 None
 1.03A 3mdrB-4djfC:
undetectable		 3mdrB-4djfC:
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.
4dji PROBABLE
GLUTAMATE/GAMMA-AMIN
OBUTYRATE ANTIPORTER

(Escherichia
coli) 		PF13520
(AA_permease_2) 		4 ILE A 355
ALA A 352
ALA A 134
THR A 131
 None
 0.97A 3mdrB-4djiA:
undetectable		 3mdrB-4djiA:
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.
4e6p PROBABLE SORBITOL
DEHYDROGENASE
(L-IDITOL
2-DEHYDROGENASE)

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 ILE A  18
ALA A 225
THR A 229
ALA A  25
 None
 0.90A 3mdrB-4e6pA:
undetectable		 3mdrB-4e6pA:
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.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 PHE A 213
ILE A 259
ALA A 257
ALA A 225
 None
 1.06A 3mdrB-4fdyA:
undetectable		 3mdrB-4fdyA:
19.96
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.
4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanobrevibacter
ruminantium) 		PF02289
(MCH) 		4 ILE A  89
ALA A  88
ALA A 208
THR A  84
 None
 0.64A 3mdrB-4fioA:
undetectable		 3mdrB-4fioA:
21.52
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		4 PHE A  62
ILE A 146
ALA A 222
THR A 220
 None
 0.97A 3mdrB-4hh1A:
undetectable		 3mdrB-4hh1A:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6m ACTIN-LIKE PROTEIN
ARP9
ACTIN-RELATED
PROTEIN 7

(Saccharomyces
cerevisiae) 		PF00022
(Actin)
PF07529
(HSA) 		4 ILE A 145
ALA A 146
ALA C 612
THR A 442
 None
 1.05A 3mdrB-4i6mA:
undetectable		 3mdrB-4i6mA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lyk CYCLIC DI-GMP
PHOSPHODIESTERASE
YAHA

(Escherichia
coli) 		PF00563
(EAL) 		4 PHE A 206
ILE A 248
ALA A 245
ALA A 276
 None
 1.04A 3mdrB-4lykA:
undetectable		 3mdrB-4lykA:
22.27
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.
4ng3 5-CARBOXYVANILLATE
DECARBOXYLASE

(Sphingomonas
paucimobilis) 		PF04909
(Amidohydro_2) 		4 ILE A 330
ALA A 327
THR A   6
THR A 269
 None
 0.98A 3mdrB-4ng3A:
undetectable		 3mdrB-4ng3A:
22.02
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.
4ojh ACYLPHOSPHATASE

(Sulfolobus
solfataricus) 		PF00708
(Acylphosphatase) 		4 ILE A  38
ALA A  37
ALA A  46
THR A 100
 None
 1.02A 3mdrB-4ojhA:
undetectable		 3mdrB-4ojhA:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 ILE A  62
ALA A  67
THR A  69
ALA A  58
 None
 0.94A 3mdrB-4om9A:
undetectable		 3mdrB-4om9A:
17.08
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		4 ILE A 442
ALA A 441
THR A 514
ALA A 436
 None
 0.94A 3mdrB-4qawA:
undetectable		 3mdrB-4qawA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qb1 XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6) 		4 ILE A  53
ALA A  52
THR A 125
ALA A  47
 None
 0.85A 3mdrB-4qb1A:
undetectable		 3mdrB-4qb1A:
15.66
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.
4rlq BENZOATE-COENZYME A
LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 PHE A 157
ILE A  58
ALA A  57
ALA A  86
 None
 0.96A 3mdrB-4rlqA:
undetectable		 3mdrB-4rlqA:
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE
ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-TRIPHOSPHATE
SYNTHASE SUBUNIT
PHNH

(Escherichia
coli) 		PF05845
(PhnH)
PF06007
(PhnJ) 		4 ILE D  30
ALA D  29
THR B 188
ALA B 141
 None
 1.00A 3mdrB-4xb6D:
undetectable		 3mdrB-4xb6D:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zgq EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA

(Saccharomyces
cerevisiae) 		PF09173
(eIF2_C) 		4 ALA B 491
THR B 471
ALA B 473
THR B 488
 None
 1.01A 3mdrB-4zgqB:
undetectable		 3mdrB-4zgqB:
14.77
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		4 ILE A 107
ALA A 109
ALA A 141
THR A 144
 None
 1.01A 3mdrB-4zxzA:
undetectable		 3mdrB-4zxzA:
24.71
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 4 ILE A 190
THR A 187
ALA A 161
THR A 158
 None
MG  A1322 ( 4.8A)
None
None
 0.94A 3mdrB-5a0kA:
undetectable		 3mdrB-5a0kA:
22.66
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.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		4 ILE A 168
ALA A 169
ALA A 133
THR A 136
 None
 0.80A 3mdrB-5aexA:
undetectable		 3mdrB-5aexA:
20.55
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.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT

(Xenopus laevis) 		PF01094
(ANF_receptor) 		4 PHE A 342
ILE A 313
ALA A 312
ALA A 305
 None
 1.02A 3mdrB-5b3jA:
undetectable		 3mdrB-5b3jA:
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		5 ILE A 263
ALA A 264
THR A 268
ALA A 328
THR A 438
 None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 3.8A)
None
 0.79A 3mdrB-5e78A:
43.5		 3mdrB-5e78A:
25.83
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		4 PHE A 161
ILE A 250
ALA A 247
THR A 258
 None
 1.05A 3mdrB-5fv4A:
undetectable		 3mdrB-5fv4A:
23.36
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 PHE C 574
ILE C 572
THR C 516
ALA C 512
 None
None
None
MCN  C 921 (-3.2A)
 1.08A 3mdrB-5g5gC:
undetectable		 3mdrB-5g5gC:
21.38
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.
5gn5 GLYCEROL KINASE

(Trypanosoma
brucei) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 PHE A  72
ILE A  62
ALA A  77
THR A 246
 None
 0.86A 3mdrB-5gn5A:
undetectable		 3mdrB-5gn5A:
22.36
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.
5i2t PERIODIC TRYPTOPHAN
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ALA A 363
THR A 348
ALA A 696
THR A 682
 None
 0.99A 3mdrB-5i2tA:
undetectable		 3mdrB-5i2tA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihw SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN E

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		4 PHE A 438
ILE A 564
ALA A 565
ALA A 469
 None
 0.87A 3mdrB-5ihwA:
undetectable		 3mdrB-5ihwA:
19.36
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 ILE B 827
ALA B 826
ALA B 823
THR B1090
 None
 1.08A 3mdrB-5ip9B:
undetectable		 3mdrB-5ip9B:
17.90
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.
5kei 2,3-DIHYDROXYBENZOAT
E-AMP LIGASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ILE A  62
ALA A  63
THR A 276
ALA A 269
 None
 1.07A 3mdrB-5keiA:
undetectable		 3mdrB-5keiA:
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.
5mju EXCITATORY AMINO
ACID TRANSPORTER
1,NEUTRAL AMINO ACID
TRANSPORTER
B(0),EXCITATORY
AMINO ACID
TRANSPORTER 1

(Homo sapiens) 		PF00375
(SDF) 		4 ALA A 335
THR A 338
ALA A 269
THR A  54
 None
 0.97A 3mdrB-5mjuA:
undetectable		 3mdrB-5mjuA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		4 PHE N 242
ILE N 257
ALA N 258
ALA N 265
 None
 1.01A 3mdrB-5mpdN:
undetectable		 3mdrB-5mpdN:
19.43
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 4 ILE B 487
ALA B 420
ALA B 558
THR B 494
 None
 1.02A 3mdrB-5nd1B:
undetectable		 3mdrB-5nd1B:
13.62
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.
5oie -

(-) 		no annotation 4 ILE A 113
THR A 110
ALA A 104
THR A  97
 None
 0.94A 3mdrB-5oieA:
undetectable		 3mdrB-5oieA:
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.
5t3o RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermus
thermophilus) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		4 PHE A  93
ILE A 113
ALA A 114
ALA A 122
 None
 0.95A 3mdrB-5t3oA:
undetectable		 3mdrB-5t3oA:
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.
5vgm DIHYDROOROTASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		4 ALA A 269
THR A 266
ALA A 196
THR A 245
 None
 1.08A 3mdrB-5vgmA:
undetectable		 3mdrB-5vgmA:
21.05
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.
5w57 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Paracoccus
denitrificans) 		PF01297
(ZnuA) 		4 PHE A 210
ILE A 302
ALA A 299
ALA A 188
 None
 0.97A 3mdrB-5w57A:
undetectable		 3mdrB-5w57A:
21.27
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.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 4 PHE A 296
ILE A 214
ALA A 221
THR A 219
 K95  A 401 (-4.0A)
None
K95  A 401 ( 4.0A)
K95  A 401 (-3.8A)
 1.06A 3mdrB-5yidA:
undetectable		 3mdrB-5yidA:
12.28
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.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15) 		no annotation 4 ILE A 676
THR A 924
ALA A 730
THR A 733
 None
 0.87A 3mdrB-6bfuA:
undetectable		 3mdrB-6bfuA:
17.38
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.
6c3b UNCHARACTERIZED
PROTEIN

(Streptomyces
cattleya) 		no annotation 4 ILE A 230
ALA A 229
THR A 248
ALA A  82
 None
None
EDO  A 402 (-4.5A)
None
 1.03A 3mdrB-6c3bA:
undetectable		 3mdrB-6c3bA:
12.20
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 4 PHE A  75
ILE A  37
ALA A  32
ALA A 104
 None
 0.94A 3mdrB-6c5bA:
undetectable		 3mdrB-6c5bA:
10.69
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 4 ILE I  99
ALA I  98
THR I  94
ALA I  53
 None
 1.02A 3mdrB-6esqI:
undetectable		 3mdrB-6esqI:
13.39