SIMILAR PATTERNS OF AMINO ACIDS FOR 4R29_D_SAMD301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1akp APOKEDARCIDIN

(actinomycete
ATCC 53650) 		PF00960
(Neocarzinostat) 		5 SER A  29
GLY A 101
ILE A  97
ALA A 109
GLY A 107
 None
 1.10A 4r29D-1akpA:
0.0		 4r29D-1akpA:
19.03
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.
1aog TRYPANOTHIONE
REDUCTASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 390
GLY A 422
ILE A 441
GLY A 426
GLU A 379
 None
 1.03A 4r29D-1aogA:
0.0		 4r29D-1aogA:
18.09
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.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ALA A 192
ARG A  78
GLY A 253
GLY A 329
PHE A 184
 None
 1.11A 4r29D-1ex0A:
0.0		 4r29D-1ex0A:
15.24
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 GLY A 196
ILE A 214
ALA A 213
GLY A 210
PHE A 194
 None
 1.10A 4r29D-1g0vA:
0.0		 4r29D-1g0vA:
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.
1ivh ISOVALERYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 268
ILE A 332
ALA A 259
GLY A 261
GLU A  85
 None
 1.12A 4r29D-1ivhA:
2.7		 4r29D-1ivhA:
19.84
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.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 217
ILE A 286
MET A 240
PHE A 164
GLU A 204
 None
 1.04A 4r29D-1iyxA:
0.0		 4r29D-1iyxA:
18.40
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.
1lgf P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		5 GLY A 349
ILE A 210
MET A 209
GLY A 106
PHE A 107
 HEM  A 430 ( 3.9A)
None
None
None
None
 1.04A 4r29D-1lgfA:
0.0		 4r29D-1lgfA:
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.
1ofu CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A  71
GLY A  20
ILE A 151
MET A 105
GLY A 106
 GDP  A1318 ( 4.8A)
GDP  A1318 (-3.5A)
None
None
GDP  A1318 ( 4.3A)
 1.00A 4r29D-1ofuA:
0.0		 4r29D-1ofuA:
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.
1qmo MANNOSE BINDING
LECTIN, FRIL
MANNOSE BINDING
LECTIN, FRIL

(Lablab
purpureus;
Lablab
purpureus) 		PF00139
(Lectin_legB)
PF00139
(Lectin_legB) 		5 SER E 164
GLY E 156
ILE A  84
ALA A  85
GLY A  87
 MN  A 301 ( 3.7A)
None
None
MAN  A 302 ( 3.7A)
None
 1.07A 4r29D-1qmoE:
undetectable		 4r29D-1qmoE:
21.17
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.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		5 ALA A 149
GLY A  77
ILE A   8
GLY A 132
TYR A 129
 None
 1.12A 4r29D-1t5jA:
undetectable		 4r29D-1t5jA:
21.18
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 SER A 136
GLY A 244
ILE A 186
ALA A 255
GLY A 250
 None
SO4  A 373 (-3.5A)
None
None
None
 1.11A 4r29D-1to6A:
undetectable		 4r29D-1to6A:
22.16
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 GLY A 599
ILE A 626
ALA A 619
MET A 616
GLU A 558
 None
 1.06A 4r29D-1ulvA:
undetectable		 4r29D-1ulvA:
12.18
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.
1umb 2-OXO ACID
DEHYDROGENASE ALPHA
SUBUNIT
2-OXO ACID
DEHYDROGENASE BETA
SUBUNIT

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 154
GLY B  65
GLN B  97
ILE A 146
ALA A 177
 None
None
None
TDP  A1402 (-4.1A)
TDP  A1402 (-3.9A)
 1.02A 4r29D-1umbA:
undetectable		 4r29D-1umbA:
20.42
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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 ALA A 228
GLY A 218
ALA A 238
GLY A 211
TYR A 209
 None
 1.06A 4r29D-1v7vA:
undetectable		 4r29D-1v7vA:
15.60
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ALA A 413
SER A 407
GLY A 433
ILE A 429
ALA A 428
 None
 0.99A 4r29D-2aw5A:
undetectable		 4r29D-2aw5A:
14.60
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.
2c7z 3-KETOACYL-COA
THIOLASE 2

(Arabidopsis
thaliana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A  41
GLN A  43
ILE A 341
ALA A 338
GLY A 336
 None
 0.99A 4r29D-2c7zA:
undetectable		 4r29D-2c7zA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dg7 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A  58
ILE A 162
ALA A 102
GLY A 100
GLU A  18
 None
 1.10A 4r29D-2dg7A:
2.4		 4r29D-2dg7A:
19.13
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.
2dna UNNAMED PROTEIN
PRODUCT

(Mus musculus) 		PF00627
(UBA) 		5 ALA A  36
ALA A  28
MET A  29
GLY A  30
PHE A  31
 None
 1.06A 4r29D-2dnaA:
undetectable		 4r29D-2dnaA:
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.
2pjr PROTEIN (HELICASE
PCRA)
PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C)
PF13361
(UvrD_C) 		5 ALA B 620
ARG B 623
GLY B 579
ILE A 340
ALA A 337
 None
 0.92A 4r29D-2pjrB:
undetectable		 4r29D-2pjrB:
18.40
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 SER A 154
GLY A 160
ALA A  60
GLY A  58
TYR A  27
 None
 0.98A 4r29D-2q27A:
undetectable		 4r29D-2q27A:
17.11
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 SER A  37
GLY A  35
ILE A  29
ALA A 235
GLY A 237
 F2P  A 501 (-3.2A)
None
None
None
F2P  A 501 (-3.6A)
 1.09A 4r29D-2qjgA:
undetectable		 4r29D-2qjgA:
21.91
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 ARG A 401
GLY A 393
ILE A  81
GLY A 422
GLU A 426
 None
None
None
None
EDO  A1962 ( 4.4A)
 1.12A 4r29D-2r4jA:
undetectable		 4r29D-2r4jA:
16.77
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.
2vhe ACETYLTRANSFERASE

(Campylobacter
jejuni) 		PF00132
(Hexapep) 		5 ALA A   2
ALA A  23
MET A  26
GLY A  27
GLU A   5
 None
 1.01A 4r29D-2vheA:
undetectable		 4r29D-2vheA:
24.61
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A  71
GLY A  20
ILE A 151
MET A 105
GLY A 106
 CIT  A 401 (-3.5A)
CIT  A 401 (-3.5A)
None
None
None
 1.06A 4r29D-2vxyA:
undetectable		 4r29D-2vxyA:
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 ALA A 608
GLY A 507
ILE A 702
ALA A 600
GLY A 504
 None
 0.88A 4r29D-2wghA:
undetectable		 4r29D-2wghA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ww9 SEC SIXTY-ONE
PROTEIN HOMOLOG
PROTEIN TRANSPORT
PROTEIN SEB2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF10559
(Plug_translocon)
PF03911
(Sec61_beta) 		5 GLY A 159
GLN A 156
ILE C  76
GLY C  70
PHE C  71
 None
 1.11A 4r29D-2ww9A:
undetectable		 4r29D-2ww9A:
17.83
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.
2z02 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF01259
(SAICAR_synt) 		5 ALA A  19
GLY A  53
ILE A  86
ALA A  87
GLU A 185
 ATP  A1527 (-4.0A)
None
None
ATP  A1527 ( 4.3A)
ATP  A1527 (-3.4A)
 1.11A 4r29D-2z02A:
undetectable		 4r29D-2z02A:
22.18
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.
3a14 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Thermotoga
maritima) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ALA A 115
GLY A  16
GLN A  18
ALA A 194
GLU A 118
 NDP  A3001 (-3.9A)
None
None
None
NDP  A3001 (-3.7A)
 1.09A 4r29D-3a14A:
undetectable		 4r29D-3a14A:
23.85
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		5 ALA A  39
ILE A 201
GLY A  85
PHE A  96
GLU A  61
 None
None
SO4  A 269 ( 4.2A)
None
None
 1.10A 4r29D-3b8bA:
undetectable		 4r29D-3b8bA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bpt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Homo sapiens) 		PF16113
(ECH_2) 		5 GLY A 199
ILE A 142
ALA A  96
MET A 144
GLY A 145
 None
None
QUE  A 501 ( 4.0A)
None
HIU  A 502 ( 3.7A)
 1.04A 4r29D-3bptA:
undetectable		 4r29D-3bptA:
22.85
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.
3chx PMOB

(Methylosinus
trichosporium) 		PF04744
(Monooxygenase_B) 		5 ALA A 147
GLY A  76
ALA A 332
GLY A 334
GLU A  42
 None
None
None
None
CU  A 712 (-3.4A)
 1.08A 4r29D-3chxA:
undetectable		 4r29D-3chxA:
18.32
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.
3fhc ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD) 		6 SER B 116
GLY B 143
ALA B 109
MET B 110
GLY B 111
PHE B 112
 None
 1.47A 4r29D-3fhcB:
undetectable		 4r29D-3fhcB:
22.35
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 SER A 280
GLY A 391
ILE A 399
MET A 396
GLY A 394
 None
 1.12A 4r29D-3fw8A:
undetectable		 4r29D-3fw8A:
18.11
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 ALA A 221
GLY A 191
ALA A 162
MET A 163
GLY A 164
 None
SAH  A 350 (-3.6A)
MQA  A 351 (-3.7A)
SAH  A 350 ( 3.7A)
None
 1.07A 4r29D-3gxoA:
undetectable		 4r29D-3gxoA:
19.10
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 GLY A 326
ILE A 194
ALA A 195
GLY A 197
GLU A 395
 None
 1.11A 4r29D-3la4A:
undetectable		 4r29D-3la4A:
13.54
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.
3lca PROTEIN TOM71

(Saccharomyces
cerevisiae) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF14559
(TPR_19) 		5 ALA A 438
GLY A 419
GLN A 420
ALA A 453
PHE A 435
 None
None
GOL  A   1 (-3.2A)
None
None
 1.03A 4r29D-3lcaA:
undetectable		 4r29D-3lcaA:
19.10
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 ILE A1069
ALA A1070
MET A1073
GLY A1074
PHE A1080
 None
 0.91A 4r29D-3lj0A:
undetectable		 4r29D-3lj0A:
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.
3lkv UNCHARACTERIZED
CONSERVED DOMAIN
PROTEIN

(Vibrio cholerae) 		PF04392
(ABC_sub_bind) 		5 ALA A  43
ALA A 245
GLY A 259
GLU A 251
TYR A 249
 None
 0.90A 4r29D-3lkvA:
undetectable		 4r29D-3lkvA:
22.55
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.
3mcp GLUCOKINASE

(Parabacteroides
distasonis) 		PF00480
(ROK) 		5 SER A 343
GLY A 128
ILE A  25
MET A 353
GLY A 354
 None
 0.98A 4r29D-3mcpA:
undetectable		 4r29D-3mcpA:
22.81
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 ALA A  79
GLY A  73
GLN A  72
ALA A  64
GLY A  66
 BOG  A   1 ( 4.1A)
None
None
None
None
 0.90A 4r29D-3mpnA:
undetectable		 4r29D-3mpnA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nda SERPIN-2

(Ixodes ricinus) 		PF00079
(Serpin) 		5 ALA A  10
GLY A  59
ALA A  40
MET A  41
GLY A  42
 None
 1.01A 4r29D-3ndaA:
undetectable		 4r29D-3ndaA:
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.
3oc4 OXIDOREDUCTASE,
PYRIDINE
NUCLEOTIDE-DISULFIDE
FAMILY

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 435
GLY A 433
ILE A 395
GLY A 382
GLU A 339
 None
 1.04A 4r29D-3oc4A:
undetectable		 4r29D-3oc4A:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p7m MALATE DEHYDROGENASE

(Francisella
tularensis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 151
SER A 150
GLY A 146
ALA A 243
GLY A 239
 None
 0.98A 4r29D-3p7mA:
undetectable		 4r29D-3p7mA:
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		5 ALA A 281
SER A 280
GLY A 276
ILE A  52
GLY A 255
 K  A   1 (-4.6A)
None
None
None
None
 0.87A 4r29D-3q1yA:
undetectable		 4r29D-3q1yA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qyr ECHA16_2

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ALA A  97
GLY A 102
ILE A  53
GLY A  56
PHE A  61
 None
 1.09A 4r29D-3qyrA:
undetectable		 4r29D-3qyrA:
18.75
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.
3skp SEROTRANSFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		5 ALA A 428
GLY A 459
ILE A 471
MET A 464
GLY A 465
 None
 1.08A 4r29D-3skpA:
undetectable		 4r29D-3skpA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(uncultured
archaeon) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 SER B 352
GLY B 325
GLN B 329
GLY B 309
GLU B 239
 None
 0.80A 4r29D-3sqgB:
undetectable		 4r29D-3sqgB:
18.22
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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 GLY A  68
GLN A  42
ILE A  28
ALA A  24
GLU A 234
 IAS  A  67 ( 2.4A)
None
None
None
None
 1.03A 4r29D-3swdA:
undetectable		 4r29D-3swdA:
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.
3t0o RIBONUCLEASE T2

(Homo sapiens) 		PF00445
(Ribonuclease_T2) 		5 GLN A  41
ILE A 182
GLY A 197
GLU A  45
TYR A 248
 None
 1.10A 4r29D-3t0oA:
undetectable		 4r29D-3t0oA:
21.81
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.
3tcr MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN

(Mycobacteroides
abscessus) 		PF00994
(MoCF_biosynth) 		5 GLY A 150
ILE A 114
ALA A 137
GLY A 135
GLU A 101
 None
 1.11A 4r29D-3tcrA:
undetectable		 4r29D-3tcrA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ALA A 419
GLY A 387
ILE A 369
ALA A 354
GLY A 356
 None
 1.05A 4r29D-3v4pA:
undetectable		 4r29D-3v4pA:
17.82
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.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 260
SER A 230
GLY A 407
GLN A 405
GLY A 441
 None
NAP  A1447 (-3.6A)
None
NAP  A1447 (-3.5A)
None
 1.07A 4r29D-4a0sA:
undetectable		 4r29D-4a0sA:
17.12
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.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A  60
ILE A 238
ALA A 163
GLY A 165
PHE A  57
 None
 1.00A 4r29D-4d8uA:
undetectable		 4r29D-4d8uA:
20.06
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.
4dd5 ACETYL-COA
ACETYLTRANSFERASE

(Clostridioides
difficile) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 348
SER A 252
ILE A  91
GLY A 359
GLU A 319
 None
 1.02A 4r29D-4dd5A:
undetectable		 4r29D-4dd5A:
19.40
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.
4fl0 AMINOTRANSFERASE
ALD1

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		5 ALA A 253
SER A 280
GLY A 294
ILE A  88
GLY A 287
 PLP  A 501 (-3.5A)
None
None
None
None
 0.82A 4r29D-4fl0A:
undetectable		 4r29D-4fl0A:
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.
4gl3 PUTATIVE
GLUCOAMYLASE

(Bacteroides
uniformis) 		PF10091
(Glycoamylase) 		5 ALA A 403
GLY A 407
ILE A 223
ALA A 153
PHE A  84
 None
 1.10A 4r29D-4gl3A:
undetectable		 4r29D-4gl3A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hdt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Mycolicibacterium
thermoresistibile) 		PF16113
(ECH_2) 		5 GLY A 169
ILE A 112
ALA A  66
MET A 114
GLY A 115
 None
 1.03A 4r29D-4hdtA:
undetectable		 4r29D-4hdtA:
19.83
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.
4inf METAL-DEPENDENT
HYDROLASE

(Novosphingobium
aromaticivorans) 		PF04909
(Amidohydro_2) 		5 SER A  91
GLY A  93
GLN A  95
ILE A 143
GLY A 129
 None
 0.94A 4r29D-4infA:
undetectable		 4r29D-4infA:
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.
4ix1 HYPOTHETICAL PROTEIN

(Rhodococcus
opacus) 		no annotation 5 ALA A 234
SER A 118
GLY A 116
ALA A 210
GLY A 208
 None
 1.10A 4r29D-4ix1A:
undetectable		 4r29D-4ix1A:
22.39
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.
4jq9 DIHYDROLIPOYL
DEHYDROGENASE

(Escherichia
coli) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ARG A 296
GLY A 316
GLN A 317
GLY A 293
PHE A 294
 SO4  A 511 (-2.2A)
SO4  A 511 (-3.0A)
SO4  A 511 (-4.0A)
None
SO4  A 511 (-3.5A)
 1.11A 4r29D-4jq9A:
undetectable		 4r29D-4jq9A:
17.89
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.
4kjr CATION EXCHANGER
YFKE

(Bacillus
subtilis) 		PF01699
(Na_Ca_ex) 		5 ALA A 254
SER A  42
GLY A  45
ILE A 270
ALA A 271
 None
 1.10A 4r29D-4kjrA:
undetectable		 4r29D-4kjrA:
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.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 ALA A 191
SER A 126
ILE A 196
ALA A  77
GLY A  75
 None
 1.10A 4r29D-4kn5A:
undetectable		 4r29D-4kn5A:
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.
4mou ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Paenarthrobacter
aurescens) 		PF00378
(ECH_1) 		5 ALA A 145
GLY A 175
ALA A  72
MET A 119
GLY A 120
 None
 1.01A 4r29D-4mouA:
undetectable		 4r29D-4mouA:
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.
4o48 UNCHARACTERIZED
PROTEIN

(Cavia porcellus) 		PF01112
(Asparaginase_2) 		5 ALA A 287
GLY A  26
ILE A 102
ALA A 183
GLY A 170
 None
 1.11A 4r29D-4o48A:
0.4		 4r29D-4o48A:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r29 UNCHARACTERIZED
PROTEIN

(Escherichia
coli) 		no annotation 12 ALA A  92
SER A  98
ARG A 107
GLY A 110
GLN A 111
ILE A 194
ALA A 195
MET A 198
GLY A 199
PHE A 202
GLU A 208
TYR A 212
 SAM  A 301 (-3.7A)
SAM  A 301 (-2.6A)
SAM  A 301 (-2.7A)
SAM  A 301 (-3.3A)
GOL  A 302 ( 4.0A)
None
SAM  A 301 (-3.5A)
SAM  A 301 (-4.5A)
SAM  A 301 (-3.6A)
SAM  A 301 (-3.8A)
None
SAM  A 301 (-3.7A)
 0.25A 4r29D-4r29A:
32.6		 4r29D-4r29A:
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.
4u39 CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A  71
GLY A  20
ILE A 151
MET A 105
GLY A 106
 None
PO4  A 401 (-3.3A)
None
None
None
 0.97A 4r29D-4u39A:
undetectable		 4r29D-4u39A:
23.18
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.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		5 ALA Q 274
GLY Q 423
ILE Q 434
ALA Q 433
GLY Q 429
 None
 0.96A 4r29D-4upeQ:
0.9		 4r29D-4upeQ:
16.70
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.
4w82 FATTY ACID SYNTHASE

(Homo sapiens) 		PF00107
(ADH_zinc_N) 		5 SER A1675
GLY A1678
ILE A1576
ALA A1844
GLY A1846
 CL  A1901 (-4.6A)
None
None
None
None
 1.07A 4r29D-4w82A:
undetectable		 4r29D-4w82A:
19.77
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.
4y7k LARGE CONDUCTANCE
MECHANOSENSITIVE
CHANNEL
PROTEIN,RIBOFLAVIN
SYNTHASE

(Methanocaldococcus
jannaschii;
Methanosarcina
acetivorans) 		PF00885
(DMRL_synthase)
PF01741
(MscL) 		5 ALA A  84
ILE A  21
ALA A  22
MET A  25
GLY A  26
 None
 0.91A 4r29D-4y7kA:
undetectable		 4r29D-4y7kA:
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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA

(Mycolicibacterium
smegmatis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ALA A 269
ILE A 295
ALA A 332
MET A 297
PHE A 299
 NA  A1398 ( 4.2A)
None
None
None
None
 1.08A 4r29D-5ah4A:
undetectable		 4r29D-5ah4A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  84
GLN A  49
ILE A 430
ALA A 429
GLU A 249
 None
 1.05A 4r29D-5ahkA:
undetectable		 4r29D-5ahkA:
17.25
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.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		5 ALA A  44
GLY A  87
ILE A 147
GLU A 100
TYR A 101
 None
 1.01A 4r29D-5d8wA:
undetectable		 4r29D-5d8wA:
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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis) 		PF00144
(Beta-lactamase) 		5 SER A 145
ILE A 126
ALA A 127
MET A 125
PHE A 115
 None
 1.09A 4r29D-5e2hA:
undetectable		 4r29D-5e2hA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 ALA A 578
GLY A 546
ILE A 528
ALA A 515
GLY A 517
 None
 1.03A 4r29D-5e6sA:
undetectable		 4r29D-5e6sA:
14.00
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 ALA A 401
GLY A 396
GLN A 210
ALA A 346
GLY A 344
 None
None
None
5SV  A 701 (-4.7A)
5SV  A 701 (-3.6A)
 1.10A 4r29D-5ey8A:
undetectable		 4r29D-5ey8A:
17.12
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 ALA A 556
GLY A 524
ILE A 519
ALA A 466
GLY A 464
 L6I  A1615 (-2.9A)
None
None
None
None
 1.06A 4r29D-5fnuA:
undetectable		 4r29D-5fnuA:
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.
5g4i PHOSPHOLYASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 ALA A 291
GLY A 280
ILE A  78
ALA A 320
GLY A 322
 None
 1.05A 4r29D-5g4iA:
undetectable		 4r29D-5g4iA:
18.82
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		5 ALA A  31
ILE A 173
MET A 192
GLY A 193
PHE A 196
 None
None
None
FMN  A 402 (-3.4A)
None
 1.01A 4r29D-5gvhA:
undetectable		 4r29D-5gvhA:
21.75
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.
5h36 UNCHARACTERIZED
PROTEIN TRIC

(Rhodobacter
sphaeroides) 		no annotation 5 GLY E  46
ILE E 120
ALA E 121
MET E 124
GLY E 125
 None
 0.76A 4r29D-5h36E:
1.3		 4r29D-5h36E:
18.78
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.
5h36 UNCHARACTERIZED
PROTEIN TRIC

(Rhodobacter
sphaeroides) 		no annotation 5 GLY E  47
ILE E 120
ALA E 121
MET E 124
GLY E 125
 None
 0.83A 4r29D-5h36E:
1.3		 4r29D-5h36E:
18.78
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.
5hm9 MAMO PROTEASE DOMAIN

(Magnetospirillum
magneticum) 		PF13365
(Trypsin_2) 		5 ALA A 174
SER A 172
ILE A  68
ALA A  59
GLY A 183
 None
 1.12A 4r29D-5hm9A:
undetectable		 4r29D-5hm9A:
21.22
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ALA A 776
GLY A 664
ILE A 870
ALA A 768
GLY A 661
 None
 0.98A 4r29D-5im3A:
undetectable		 4r29D-5im3A:
12.29
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 ALA A   1
ARG A 145
GLY A 172
ILE A  55
GLY A  63
 None
 1.12A 4r29D-5j44A:
undetectable		 4r29D-5j44A:
13.28
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.
5jfy DEOXYCYTIDINE
DEAMINASE

(Brassica
oleracea) 		PF00383
(dCMP_cyt_deam_1) 		5 SER A 120
ILE A 135
ALA A 136
GLY A 138
PHE A 139
 None
HEZ  A 204 ( 3.9A)
None
None
None
 1.01A 4r29D-5jfyA:
undetectable		 4r29D-5jfyA:
20.27
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.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		5 ALA A 338
GLY A 244
ILE A 265
ALA A 267
GLY A 237
 None
 1.11A 4r29D-5k1rA:
undetectable		 4r29D-5k1rA:
18.20
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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 5 ILE B 692
ALA B 693
MET B 696
GLY B 697
PHE B 701
 None
 1.02A 4r29D-5kdjB:
undetectable		 4r29D-5kdjB:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		5 ILE A 692
ALA A 693
MET A 696
GLY A 697
PHE A 701
 None
 1.06A 4r29D-5kdsA:
undetectable		 4r29D-5kdsA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdx PHOTOSYSTEM II
PROTEIN D1
PHOTOSYSTEM II CP43
REACTION CENTER
PROTEIN

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF00124
(Photo_RC)
PF00421
(PSII) 		5 ALA A 336
GLY C 353
ILE A  89
GLY A  62
GLU A  65
 None
 1.12A 4r29D-5mdxA:
undetectable		 4r29D-5mdxA:
21.02
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.
5nlm INDOXYL
UDP-GLUCOSYLTRANSFER
ASE

(Persicaria
tinctoria) 		no annotation 5 SER A 274
GLY A 365
ILE A 425
ALA A 426
GLY A 430
 None
MG  A1003 (-4.1A)
None
None
None
 0.96A 4r29D-5nlmA:
undetectable		 4r29D-5nlmA:
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 GLY A4104
ILE A4069
ALA A4070
GLY A4072
GLU A1965
 None
 1.02A 4r29D-5nugA:
undetectable		 4r29D-5nugA:
4.00
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ALA A 608
GLY A 507
ILE A 702
ALA A 600
GLY A 504
 None
 0.84A 4r29D-5tusA:
undetectable		 4r29D-5tusA:
15.45
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.
5u1o GLUTATHIONE
REDUCTASE

(Vibrio
parahaemolyticus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  24
SER A  23
GLY A  19
ILE A 274
ALA A 119
 None
None
FAD  A 501 (-3.7A)
FAD  A 501 (-4.6A)
FAD  A 501 (-3.7A)
 1.10A 4r29D-5u1oA:
undetectable		 4r29D-5u1oA:
20.47
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.
5v2i GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica) 		PF01112
(Asparaginase_2) 		5 ALA A 259
GLY A 198
ILE A  76
MET A  70
GLY A 166
 None
 1.04A 4r29D-5v2iA:
undetectable		 4r29D-5v2iA:
20.72
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.
5vsj ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE
1

(Streptomyces
coelicolor) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 GLY A 509
ALA A 244
MET A 245
GLY A 246
PHE A 247
 None
 1.01A 4r29D-5vsjA:
undetectable		 4r29D-5vsjA:
13.67
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.
5xmd EPOXIDE HYDROLASE A

(Vigna radiata) 		no annotation 5 ALA A  99
GLN A  43
ILE A   4
ALA A  19
PHE A  29
 None
 1.09A 4r29D-5xmdA:
undetectable		 4r29D-5xmdA:
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.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 5 ALA A 105
GLY A 164
GLN A 167
ILE A 134
GLU A 114
 None
 1.07A 4r29D-5xvhA:
undetectable		 4r29D-5xvhA:
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.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 5 ALA A 200
GLY A 308
ILE A 161
ALA A 162
GLY A 166
 None
 0.96A 4r29D-6bogA:
undetectable		 4r29D-6bogA:
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A  63
SER A  62
GLY A  58
ALA A  34
MET A  33
 None
 1.12A 4r29D-6conA:
undetectable		 4r29D-6conA:
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.
6cza -

(-) 		no annotation 5 GLY A 398
ILE A 357
ALA A 358
MET A 361
GLY A 362
 None
 0.83A 4r29D-6czaA:
undetectable		 4r29D-6czaA:
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.
6exs PEPTIDE ABC
TRANSPORTER PERMEASE

(Staphylococcus
hominis) 		no annotation 5 SER A 165
ILE A 107
ALA A 198
MET A 197
GLY A 196
 None
 0.97A 4r29D-6exsA:
undetectable		 4r29D-6exsA:
undetectable