SIMILAR PATTERNS OF AMINO ACIDS FOR 4PCL_B_SAMB301

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.
1a99 PUTRESCINE-BINDING
PROTEIN


(Escherichia
coli)
PF13416
(SBP_bac_8)
5 PHE A 266
ASN A 263
ALA A 258
ALA A 234
ASN A 235
None
1.34A 4pclB-1a99A:
undetectable
4pclB-1a99A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1akc ASPARTATE
AMINOTRANSFERASE


(Gallus gallus)
PF00155
(Aminotran_1_2)
5 GLU A 265
GLY A 302
ALA A 306
ALA A 267
TYR A 256
None
1.18A 4pclB-1akcA:
3.4
4pclB-1akcA:
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.
1dpb DIHYDROLIPOYL-TRANSA
CETYLASE


(Azotobacter
vinelandii)
PF00198
(2-oxoacid_dh)
5 GLN A 437
LEU A 606
GLY A 626
ALA A 630
ALA A 441
None
1.34A 4pclB-1dpbA:
undetectable
4pclB-1dpbA:
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.
1fcu HYALURONOGLUCOSAMINI
DASE


(Apis mellifera)
PF01630
(Glyco_hydro_56)
5 GLN A  40
LEU A  39
GLU A  49
GLY A  48
ALA A  52
None
1.10A 4pclB-1fcuA:
undetectable
4pclB-1fcuA:
20.12
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.
1gey HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE


(Escherichia
coli)
PF00155
(Aminotran_1_2)
5 LEU A  79
GLU A  86
GLY A  83
CYH A 223
ALA A  84
None
None
PPE  A 413 (-3.4A)
None
PPE  A 413 (-3.7A)
1.25A 4pclB-1geyA:
3.6
4pclB-1geyA:
21.31
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.
1h54 MALTOSE
PHOSPHORYLASE


(Lactobacillus
brevis)
PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N)
5 GLN A 328
LEU A 329
GLY A 321
ALA A 655
TYR A 651
None
1.13A 4pclB-1h54A:
undetectable
4pclB-1h54A:
15.23
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.
1ik6 PYRUVATE
DEHYDROGENASE


(Pyrobaculum
aerophilum)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 LEU A  18
GLU A 176
ASN A   9
ALA A 158
ASN A 157
None
1.34A 4pclB-1ik6A:
2.7
4pclB-1ik6A:
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.
1mf1 ADENYLOSUCCINATE
SYNTHETASE


(Mus musculus)
PF00709
(Adenylsucc_synt)
5 LEU A 284
GLY A 254
ASN A 354
ALA A 255
ASN A 256
None
None
None
None
AMP  A 459 (-3.9A)
1.37A 4pclB-1mf1A:
2.7
4pclB-1mf1A:
17.42
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)


(Aspergillus
niger)
PF00328
(His_Phos_2)
5 GLU A 159
GLY A 155
PHE A 316
ALA A 452
ALA A 458
GOL  A 702 (-3.2A)
None
None
None
None
1.39A 4pclB-1qfxA:
undetectable
4pclB-1qfxA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qnr ENDO-1,4-B-D-MANNANA
SE


(Trichoderma
reesei)
PF00150
(Cellulase)
5 GLY A 119
PHE A 110
ASN A 113
ALA A 122
ASN A 125
None
1.34A 4pclB-1qnrA:
2.3
4pclB-1qnrA:
20.81
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.
1qsp YPD1

(Saccharomyces
cerevisiae)
PF01627
(Hpt)
5 GLN A  49
LEU A  50
GLY A  63
ASN A  61
ASN A  87
None
1.32A 4pclB-1qspA:
undetectable
4pclB-1qspA:
20.09
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE


(Medicago sativa)
PF01596
(Methyltransf_3)
5 GLU A  85
GLY A  87
ALA A 140
ALA A 164
TYR A 172
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
0.54A 4pclB-1susA:
26.8
4pclB-1susA:
25.60
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE


(Medicago sativa)
PF01596
(Methyltransf_3)
5 GLY A  87
ASN A 113
ALA A 140
ALA A 164
TYR A 172
SAH  A 301 (-3.4A)
None
SAH  A 301 (-3.9A)
SAH  A 301 ( 3.7A)
None
0.93A 4pclB-1susA:
26.8
4pclB-1susA:
25.60
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.
2bnh RIBONUCLEASE
INHIBITOR


(Sus scrofa)
PF13516
(LRR_6)
5 LEU A  92
GLY A 121
CYH A 147
ASN A 175
ALA A 123
None
1.40A 4pclB-2bnhA:
undetectable
4pclB-2bnhA:
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE


(Thermus
thermophilus)
PF00464
(SHMT)
5 GLN A  90
LEU A 260
GLY A 234
ALA A 199
ASN A  98
None
None
None
PLP  A 510 (-3.4A)
PLP  A 510 ( 4.5A)
1.27A 4pclB-2dkjA:
4.3
4pclB-2dkjA:
20.15
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.
2f6i ATP-DEPENDENT CLP
PROTEASE, PUTATIVE


(Plasmodium
falciparum)
PF00574
(CLP_protease)
5 LEU A 315
GLY A 240
LYS A 205
ALA A 208
ALA A 242
None
1.39A 4pclB-2f6iA:
undetectable
4pclB-2f6iA:
22.63
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.
2gow UBIQUITIN-LIKE
PROTEIN 3


(Homo sapiens)
PF13881
(Rad60-SLD_2)
5 GLU A  48
ASN A  70
ALA A  90
ALA A  36
TYR A  40
None
1.39A 4pclB-2gowA:
undetectable
4pclB-2gowA:
21.24
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.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE


(Leptospira
interrogans)
PF01596
(Methyltransf_3)
5 GLU A  66
GLY A  68
ALA A 121
ALA A 155
TYR A 163
SAH  A2001 ( 4.2A)
SAH  A2001 (-3.3A)
SAH  A2001 (-3.3A)
SAH  A2001 ( 3.8A)
None
0.43A 4pclB-2hnkA:
28.2
4pclB-2hnkA:
29.22
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.
2jfq GLUTAMATE RACEMASE

(Staphylococcus
aureus)
PF01177
(Asp_Glu_race)
5 GLN A  84
LEU A  83
ALA A  18
ALA A  71
TYR A  32
None
1.42A 4pclB-2jfqA:
3.6
4pclB-2jfqA:
24.49
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.
2nz9 BOTULINUM NEUROTOXIN
TYPE A


(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N)
5 GLN A 988
LEU A 987
ASN A 970
ALA A1049
ASN A 935
None
1.19A 4pclB-2nz9A:
undetectable
4pclB-2nz9A:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o5p FERRIPYOVERDINE
RECEPTOR


(Pseudomonas
aeruginosa)
PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug)
5 LEU A  98
GLY A  56
PHE A  62
ASN A 405
ALA A  54
None
1.28A 4pclB-2o5pA:
undetectable
4pclB-2o5pA:
16.47
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.
2qoj INTRON-ENCODED DNA
ENDONUCLEASE I-ANII


(Aspergillus
nidulans)
PF00961
(LAGLIDADG_1)
5 GLN Z 230
CYH Z 150
LYS Z 202
ALA Z 165
TYR Z 244
None
1.36A 4pclB-2qojZ:
undetectable
4pclB-2qojZ:
24.28
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE


(Escherichia
coli)
PF01266
(DAO)
5 LEU A  63
GLY A 347
PHE A 342
ALA A  21
ALA A 350
None
1.20A 4pclB-2uzzA:
3.2
4pclB-2uzzA:
19.73
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN


(Azospirillum
brasilense)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
5 LEU A1000
GLY A1012
ALA A  33
ALA A1016
ASN A1017
None
1.40A 4pclB-2vdcA:
2.1
4pclB-2vdcA:
9.98
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.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE


(Geobacillus
stearothermophilus)
PF00464
(SHMT)
5 GLN A  90
LEU A 259
GLY A 234
ALA A 199
ASN A  98
None
None
None
PLP  A 501 (-3.6A)
PLP  A 501 ( 4.5A)
1.21A 4pclB-2vmxA:
3.4
4pclB-2vmxA:
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N


(Prochlorococcus
marinus)
PF00148
(Oxidored_nitro)
5 GLY C 239
PHE C 236
ASN C 306
ALA C 272
ALA C 393
None
1.42A 4pclB-2ynmC:
3.7
4pclB-2ynmC:
18.53
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT


(Sphingomonas
sp. A1)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
5 GLN B 319
GLY B  55
ALA B  71
ALA B 110
TYR B 205
None
1.32A 4pclB-3amjB:
undetectable
4pclB-3amjB:
19.01
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum)
PF01596
(Methyltransf_3)
5 GLU A  76
GLY A  78
ALA A 131
ALA A 155
TYR A 163
SAH  A 464 ( 4.2A)
SAH  A 464 (-3.7A)
SAH  A 464 (-3.5A)
SAH  A 464 (-3.7A)
None
0.34A 4pclB-3c3yA:
28.6
4pclB-3c3yA:
27.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803)
PF01596
(Methyltransf_3)
6 GLN A  43
GLU A  66
GLY A  68
ALA A 121
ALA A 144
TYR A 152
SAH  A 301 (-4.4A)
SAH  A 301 ( 4.4A)
SAH  A 301 (-3.7A)
SAH  A 301 (-3.4A)
SAH  A 301 (-3.4A)
None
0.34A 4pclB-3cbgA:
28.1
4pclB-3cbgA:
33.20
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.
3cea MYO-INOSITOL
2-DEHYDROGENASE


(Lactobacillus
plantarum)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
5 GLN A 203
LEU A 229
GLY A 206
ALA A 335
ASN A 336
None
1.36A 4pclB-3ceaA:
7.4
4pclB-3ceaA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dul O-METHYLTRANSFERASE,
PUTATIVE


(Bacillus cereus)
PF01596
(Methyltransf_3)
5 GLU A  64
GLY A  66
ALA A 119
ALA A 141
ASN A 145
None
0.96A 4pclB-3dulA:
24.3
4pclB-3dulA:
32.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dul O-METHYLTRANSFERASE,
PUTATIVE


(Bacillus cereus)
PF01596
(Methyltransf_3)
5 GLU A  64
GLY A  66
ALA A 119
ALA A 141
TYR A 149
None
0.79A 4pclB-3dulA:
24.3
4pclB-3dulA:
32.64
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.
3ed3 PROTEIN
DISULFIDE-ISOMERASE
MPD1


(Saccharomyces
cerevisiae)
PF00085
(Thioredoxin)
5 LEU A 274
GLY A 200
PHE A 278
ASN A  47
TYR A 156
None
None
None
ACT  A1108 (-4.0A)
None
1.42A 4pclB-3ed3A:
undetectable
4pclB-3ed3A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE


(Escherichia
coli)
PF00464
(SHMT)
5 LEU A 265
GLY A 237
ASN A  92
ALA A 202
ASN A 102
None
1.40A 4pclB-3g8mA:
4.9
4pclB-3g8mA:
18.88
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.
3gyb TRANSCRIPTIONAL
REGULATORS
(LACI-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN)


(Corynebacterium
glutamicum)
PF13377
(Peripla_BP_3)
5 LEU A 299
GLY A 144
ALA A 188
ALA A 157
ASN A 158
None
1.29A 4pclB-3gybA:
5.2
4pclB-3gybA:
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.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1


(Mycobacterium
tuberculosis)
PF00464
(SHMT)
5 GLN A  91
LEU A 260
GLY A 235
ALA A 200
ASN A  99
None
None
None
LLP  A 227 ( 3.6A)
LLP  A 227 ( 4.7A)
1.38A 4pclB-3h7fA:
5.2
4pclB-3h7fA:
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.
3jyn QUINONE
OXIDOREDUCTASE


(Pseudomonas
syringae group
genomosp. 3)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 GLN A   6
LEU A  16
GLY A  93
ALA A  94
ASN A  35
None
1.33A 4pclB-3jynA:
8.2
4pclB-3jynA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kom TRANSKETOLASE

(Francisella
tularensis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 GLU A 167
GLY A 414
ALA A 445
ALA A 123
ASN A 124
None
1.18A 4pclB-3komA:
undetectable
4pclB-3komA:
15.28
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.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN


(Bacillus
anthracis)
PF00378
(ECH_1)
5 LEU A 190
GLU A  61
GLY A  60
ALA A  59
ASN A  22
None
1.34A 4pclB-3kqfA:
undetectable
4pclB-3kqfA:
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.
3lkb PROBABLE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER, AMINO
ACID BINDING PROTEIN


(Thermus
thermophilus)
PF13458
(Peripla_BP_6)
5 PHE A  67
ALA A  23
ALA A 104
ASN A 289
TYR A 232
None
None
VAL  A 393 (-3.4A)
None
VAL  A 393 (-4.0A)
1.27A 4pclB-3lkbA:
4.0
4pclB-3lkbA:
19.39
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.
3mkt MULTI ANTIMICROBIAL
EXTRUSION PROTEIN
(NA(+)/DRUG
ANTIPORTER)
MATE-LIKE MDR EFFLUX
PUMP


(Vibrio cholerae)
PF01554
(MatE)
5 GLY A 313
ASN A  14
ALA A 315
ASN A 319
TYR A 445
None
1.39A 4pclB-3mktA:
undetectable
4pclB-3mktA:
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.
3n0l SERINE
HYDROXYMETHYLTRANSFE
RASE


(Campylobacter
jejuni)
PF00464
(SHMT)
5 GLN A  89
LEU A 258
GLY A 232
ALA A 197
ASN A  97
None
1.23A 4pclB-3n0lA:
3.7
4pclB-3n0lA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p2y ALANINE
DEHYDROGENASE/PYRIDI
NE NUCLEOTIDE
TRANSHYDROGENASE


(Mycolicibacterium
smegmatis)
PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N)
5 GLN A 131
GLY A  89
ASN A  71
ALA A 110
ALA A 112
None
1.39A 4pclB-3p2yA:
4.9
4pclB-3p2yA:
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.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE


(Staphylococcus
aureus)
PF00464
(SHMT)
5 GLN A  90
LEU A 259
GLY A 234
ALA A 199
ASN A  98
None
1.28A 4pclB-3pgyA:
3.7
4pclB-3pgyA:
21.36
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.
3tfw PUTATIVE
O-METHYLTRANSFERASE


(Klebsiella
pneumoniae)
PF01596
(Methyltransf_3)
5 GLU A  67
GLY A  69
ALA A 122
ALA A 142
TYR A 150
None
0.26A 4pclB-3tfwA:
28.0
4pclB-3tfwA:
29.20
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii)
PF01596
(Methyltransf_3)
5 GLN A  44
GLY A  69
ALA A 122
ALA A 145
TYR A 153
None
SAH  A 224 (-3.9A)
SAH  A 224 (-3.8A)
SAH  A 224 (-3.5A)
None
0.61A 4pclB-3tr6A:
29.0
4pclB-3tr6A:
28.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u3g RIBONUCLEASE H

(uncultured
organism)
no annotation 5 LEU D 139
GLU D  42
GLY D  17
ALA D  12
ASN D  45
None
1.28A 4pclB-3u3gD:
undetectable
4pclB-3u3gD:
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 GLU A 185
GLY A 438
ALA A 469
ALA A 141
ASN A 142
None
1.12A 4pclB-3uk1A:
2.2
4pclB-3uk1A:
17.84
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.
3v0a NTNH

(Clostridium
botulinum)
PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C)
5 GLN B 385
LEU B 386
GLY B 380
ASN B 858
ASN B 375
None
1.13A 4pclB-3v0aB:
undetectable
4pclB-3v0aB:
11.08
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.
3voh CELLOBIOHYDROLASE

(Coprinopsis
cinerea)
PF01341
(Glyco_hydro_6)
5 LEU A 322
GLY A 254
ASN A 294
ALA A 213
ASN A 214
None
None
CT3  A1002 (-3.9A)
None
CT3  A1002 ( 4.9A)
1.37A 4pclB-3vohA:
undetectable
4pclB-3vohA:
20.38
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.
3wfl BETA-MANNANASE

(Talaromyces
trachyspermus)
PF00150
(Cellulase)
5 GLY A 151
PHE A 142
ASN A 145
ALA A 154
ASN A 157
None
1.32A 4pclB-3wflA:
2.6
4pclB-3wflA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aoa BETA-PHENYLALANINE
AMINOTRANSFERASE


(Variovorax
paradoxus)
PF00202
(Aminotran_3)
5 GLY A 346
CYH A 342
PHE A 422
ALA A 433
ASN A 434
None
1.22A 4pclB-4aoaA:
3.3
4pclB-4aoaA:
23.02
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE


(Aspergillus
fumigatus)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
5 GLU A  86
GLY A  85
ALA A 424
ASN A 422
TYR A 183
None
1.35A 4pclB-4bjuA:
undetectable
4pclB-4bjuA:
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.
4bz0 PUTATIVE TYPE IV
PILUS BIOSYNTHESIS
PROTEIN


(Burkholderia
pseudomallei)
PF06864
(PAP_PilO)
5 LEU A 168
GLY A  83
ALA A  93
ASN A 144
TYR A  86
None
1.31A 4pclB-4bz0A:
undetectable
4pclB-4bz0A:
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN


(Carboxydothermus
hydrogenoformans)
PF14574
(DUF4445)
5 GLU I 404
GLY I 405
CYH I 445
ALA I 402
ASN I 509
None
None
None
None
B12  I1631 (-4.2A)
1.43A 4pclB-4c1nI:
undetectable
4pclB-4c1nI:
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.
4cfi FLAGELLIN

(Burkholderia
pseudomallei)
PF00669
(Flagellin_N)
PF12613
(FliC_SP)
5 GLN A 300
LEU A 290
GLY A 172
ASN A 282
ALA A 245
None
1.37A 4pclB-4cfiA:
undetectable
4pclB-4cfiA:
20.99
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.
4csi CELLULASE

(Humicola grisea)
PF00840
(Glyco_hydro_7)
5 LEU A 380
GLY A 399
PHE A 386
LYS A 272
ALA A 400
None
1.36A 4pclB-4csiA:
undetectable
4pclB-4csiA:
18.10
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN


(Bacteroides
thetaiotaomicron)
PF14660
(DUF4458)
5 LEU A 605
GLY A 584
CYH A 608
ALA A 551
ASN A 553
None
1.27A 4pclB-4ecnA:
undetectable
4pclB-4ecnA:
14.66
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE


(Rickettsia
rickettsii)
PF00464
(SHMT)
5 GLN A  94
LEU A 264
GLY A 238
ALA A 203
ASN A 102
None
None
None
LLP  A 230 ( 3.4A)
LLP  A 230 ( 4.5A)
1.27A 4pclB-4j5uA:
4.3
4pclB-4j5uA:
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.
4jqt PUTATIVE GLYCOSYL
HYDROLASE


(Bacteroides
thetaiotaomicron)
PF06439
(DUF1080)
5 GLN A 107
LEU A  90
GLY A 119
ALA A 142
ASN A 149
NA  A 501 (-3.0A)
None
None
None
None
1.19A 4pclB-4jqtA:
undetectable
4pclB-4jqtA:
19.45
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.
4l27 CYSTATHIONINE
BETA-SYNTHASE


(Homo sapiens)
no annotation 5 GLN B 222
LEU B 220
GLY B 153
ASN B 149
ALA B 155
None
None
None
PLP  B 601 (-3.5A)
None
1.38A 4pclB-4l27B:
2.6
4pclB-4l27B:
18.83
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.
4m9p FILAMIN-A

(Homo sapiens)
PF00630
(Filamin)
5 GLU A 587
GLY A 588
ALA A 595
ALA A 661
TYR A 635
None
1.38A 4pclB-4m9pA:
undetectable
4pclB-4m9pA:
22.30
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.
4o5p UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
PF09994
(DUF2235)
5 LEU A  67
GLU A 240
GLY A 237
ASN A  74
ALA A 238
None
1.35A 4pclB-4o5pA:
undetectable
4pclB-4o5pA:
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN


([Ruminococcus]
gnavus)
no annotation 5 GLN E 190
GLY E 247
PHE E 218
ALA E 279
ALA E 246
None
1.17A 4pclB-4obuE:
3.5
4pclB-4obuE:
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.
4p49 ANTIBODY SCFV B8

(Gallus gallus)
PF07686
(V-set)
5 GLY A  28
PHE A  57
ASN A  47
ALA A 229
ASN A 227
None
None
None
None
SO4  A 301 ( 4.0A)
1.39A 4pclB-4p49A:
undetectable
4pclB-4p49A:
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT B


(Vibrio cholerae)
PF03116
(NQR2_RnfD_RnfE)
5 GLY B 125
PHE B  69
ASN B  74
ALA B 228
TYR B 102
None
1.39A 4pclB-4p6vB:
undetectable
4pclB-4p6vB:
19.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN


(Anaplasma
phagocytophilum)
PF01596
(Methyltransf_3)
12 GLN A  39
LEU A  40
GLU A  62
GLY A  64
CYH A  66
PHE A  69
LYS A  89
ASN A  93
ALA A 117
ALA A 137
ASN A 138
TYR A 145
SAM  A 301 (-4.9A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 4.4A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.2A)
None
SAM  A 301 (-3.2A)
SAM  A 301 (-4.2A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-3.4A)
None
0.22A 4pclB-4pclA:
40.6
4pclB-4pclA:
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.
4qqs GLYCOSIDE HYDROLASE
FAMILY 43


(Halothermothrix
orenii)
PF04616
(Glyco_hydro_43)
5 PHE A  78
ALA A  99
ALA A 101
ASN A 112
TYR A  87
None
1.34A 4pclB-4qqsA:
undetectable
4pclB-4qqsA:
19.81
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.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB


(Lactococcus
lactis)
PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C)
5 LEU A 300
ASN A 508
ALA A  49
ASN A  50
TYR A  80
None
1.25A 4pclB-4wd9A:
undetectable
4pclB-4wd9A:
12.63
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.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE


(Streptococcus
thermophilus)
PF00464
(SHMT)
5 GLN A  88
LEU A 258
GLY A 232
ALA A 197
ASN A  96
None
1.26A 4pclB-4wxbA:
3.1
4pclB-4wxbA:
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE


(Podospora
anserina)
PF01596
(Methyltransf_3)
6 GLU A  71
GLY A  73
ALA A 127
ALA A 145
ASN A 146
TYR A 153
SAM  A1001 ( 4.4A)
SAM  A1001 (-3.3A)
SAM  A1001 (-3.4A)
SAM  A1001 ( 3.5A)
SAM  A1001 ( 3.5A)
None
0.43A 4pclB-4ymgA:
26.2
4pclB-4ymgA:
24.02
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA


(Methanothermobacter
marburgensis)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N)
5 GLN B 110
GLU B  54
GLY B  55
ASN B  49
ALA B  61
None
1.34A 4pclB-5a8rB:
undetectable
4pclB-5a8rB:
19.05
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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT


(Pseudomonas
protegens)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 GLN A 450
LEU A 451
GLY A 445
ASN A 472
ASN A 396
None
None
TPP  A 700 (-3.6A)
None
TPP  A 700 (-4.0A)
1.34A 4pclB-5ahkA:
4.3
4pclB-5ahkA:
17.41
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.
5dl7 PORIN

(Acinetobacter
baumannii)
PF03573
(OprD)
5 LEU A  10
GLY A  37
PHE A  40
ALA A  35
ASN A  14
None
None
None
None
C8E  A 510 (-4.1A)
1.38A 4pclB-5dl7A:
undetectable
4pclB-5dl7A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ehf LACCASE

(Antrodiella
faginea)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
5 GLU A 467
GLY A 445
PHE A  69
ASN A  83
ALA A 472
None
1.30A 4pclB-5ehfA:
undetectable
4pclB-5ehfA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eio N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE/N-ACET
YL-GAMMA-AMINOADIPYL
-PHOSPHATE REDUCTASE


(Thermus
thermophilus)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
5 LEU A  97
GLY A 316
CYH A 148
ASN A 149
ALA A 291
NAP  A 401 (-4.9A)
None
NAP  A 401 ( 3.7A)
None
None
1.34A 4pclB-5eioA:
undetectable
4pclB-5eioA:
18.23
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.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL


(Arabidopsis
thaliana)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
5 LEU A  27
GLY A  18
CYH A  20
ALA A   9
ASN A  43
None
None
GSH  A 302 (-3.0A)
None
None
1.09A 4pclB-5elgA:
undetectable
4pclB-5elgA:
23.53
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.
5elg GLUTATHIONE
S-TRANSFERASE DHAR1,
MITOCHONDRIAL


(Arabidopsis
thaliana)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
5 LEU A  27
GLY A  18
CYH A  20
ALA A  13
ALA A   9
None
None
GSH  A 302 (-3.0A)
None
None
1.38A 4pclB-5elgA:
undetectable
4pclB-5elgA:
23.53
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.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS


(Bacillus
halmapalus)
PF00082
(Peptidase_S8)
PF04151
(PPC)
5 LEU A 315
GLU A 269
GLY A  21
PHE A  17
ALA A 265
None
1.41A 4pclB-5fbzA:
undetectable
4pclB-5fbzA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hr4 MMEI

(Methylophilus
methylotrophus)
no annotation 5 LEU C 865
GLY C 854
ASN C 849
ALA C 853
ASN C 684
None
1.42A 4pclB-5hr4C:
11.4
4pclB-5hr4C:
14.09
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.
5i33 ADENYLOSUCCINATE
SYNTHETASE


(Cryptococcus
neoformans)
PF00709
(Adenylsucc_synt)
5 LEU A 257
GLY A 227
ASN A 327
ALA A 228
ASN A 229
None
1.31A 4pclB-5i33A:
2.9
4pclB-5i33A:
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF00180
(Iso_dh)
5 LEU A  95
GLY A  85
LYS A 118
ASN A 122
ALA A  86
None
1.39A 4pclB-5j32A:
undetectable
4pclB-5j32A:
22.08
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE


(Sorghum bicolor)
PF01596
(Methyltransf_3)
5 GLU A  99
GLY A 101
ALA A 154
ALA A 178
TYR A 186
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
0.45A 4pclB-5kvaA:
27.5
4pclB-5kvaA:
27.82
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE


(Sorghum bicolor)
PF01596
(Methyltransf_3)
5 GLY A 101
ASN A 127
ALA A 154
ALA A 178
TYR A 186
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
None
0.93A 4pclB-5kvaA:
27.5
4pclB-5kvaA:
27.82
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.
5kws GALACTOSE-BINDING
PROTEIN


(Yersinia pestis)
PF13407
(Peripla_BP_4)
5 LEU A 145
GLY A 234
PHE A 143
ALA A 241
ALA A 215
None
1.43A 4pclB-5kwsA:
4.6
4pclB-5kwsA:
20.19
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2


(Rattus
norvegicus)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
5 GLN A 120
GLU A 264
GLY A 125
ALA A 237
ALA A 124
None
1.13A 4pclB-5l2eA:
4.7
4pclB-5l2eA:
15.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5log PUTATIVE
O-METHYLTRANSFERASE


(Myxococcus
xanthus)
PF01596
(Methyltransf_3)
5 GLU A  65
GLY A  67
ALA A 120
ALA A 143
TYR A 151
SAH  A1001 ( 4.4A)
SAH  A1001 (-3.5A)
SAH  A1001 (-3.4A)
SAH  A1001 (-3.7A)
None
0.37A 4pclB-5logA:
28.9
4pclB-5logA:
31.76
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.
5mvd DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL


(Homo sapiens)
PF01180
(DHO_dh)
5 LEU A 355
GLY A  97
ASN A 145
ALA A  96
ASN A 181
FMN  A 401 (-4.9A)
FMN  A 401 (-3.3A)
ORO  A 402 ( 3.1A)
FMN  A 401 (-3.4A)
FMN  A 401 (-3.1A)
1.42A 4pclB-5mvdA:
undetectable
4pclB-5mvdA:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis)
PF01596
(Methyltransf_3)
6 GLU A  63
GLY A  65
ALA A 118
ALA A 140
ASN A 141
TYR A 148
SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
SAM  A 306 (-3.5A)
SAM  A 306 (-3.6A)
SAM  A 306 ( 2.9A)
None
0.24A 4pclB-5n5dA:
29.4
4pclB-5n5dA:
31.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis)
PF01596
(Methyltransf_3)
5 LEU A  49
GLU A  63
GLY A  65
ALA A 118
TYR A 148
BU3  A 301 ( 3.7A)
SAM  A 306 ( 3.6A)
SAM  A 306 (-3.2A)
SAM  A 306 (-3.5A)
None
1.33A 4pclB-5n5dA:
29.4
4pclB-5n5dA:
31.12
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.
5ool 39S RIBOSOMAL
PROTEIN L46,
MITOCHONDRIAL


(Homo sapiens)
PF00297
(Ribosomal_L3)
5 GLN e  54
LEU e 238
CYH e  52
ALA e 176
ALA e 188
None
1.36A 4pclB-5oole:
undetectable
4pclB-5oole:
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.
5ujw TRIOSEPHOSPHATE
ISOMERASE


(Francisella
tularensis)
PF00121
(TIM)
5 GLN A  52
GLY A  24
CYH A  22
LYS A 236
ALA A 238
None
1.33A 4pclB-5ujwA:
undetectable
4pclB-5ujwA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ukh UNCHARACTERIZED
PROTEIN


(Streptococcus
intermedius)
no annotation 5 GLN A 336
LEU A 335
GLY A 278
ASN A 283
ALA A 410
None
1.30A 4pclB-5ukhA:
undetectable
4pclB-5ukhA:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C


(Mycobacterium
tuberculosis)
PF01596
(Methyltransf_3)
5 GLU A  64
GLY A  66
ALA A 120
ALA A 139
TYR A 147
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.5A)
None
0.39A 4pclB-5x7fA:
26.7
4pclB-5x7fA:
25.62
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.
5z7r SHORT-CHAIN-ENOYL-CO
A HYDRATASE


(Clostridium
acetobutylicum)
no annotation 5 LEU A 188
GLU A  59
GLY A  58
ALA A  57
ASN A  20
None
1.33A 4pclB-5z7rA:
undetectable
4pclB-5z7rA:
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.
6b07 FARNESYL DIPHOSPHATE
SYNTHASE


(Choristoneura
fumiferana)
no annotation 5 LEU A 384
GLY A 257
CYH A 255
ALA A 261
ASN A 262
None
1.39A 4pclB-6b07A:
undetectable
4pclB-6b07A:
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.
6b2y SOLUTE-BINDING
PERIPLASMIC PROTEIN
OF IRON/SIDEROPHORE
ABC TRANSPORTER


(Yersinia pestis)
no annotation 5 GLN A 332
LEU A 329
GLY A  36
PHE A 157
ALA A 335
None
1.28A 4pclB-6b2yA:
undetectable
4pclB-6b2yA:
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.
6chd LYSINE--TRNA LIGASE

(Homo sapiens)
no annotation 5 GLN A 515
GLU A 301
GLY A 277
ASN A 272
TYR A 303
None
KAA  A 601 (-3.0A)
KAA  A 601 (-4.7A)
None
None
1.32A 4pclB-6chdA:
undetectable
4pclB-6chdA:
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.
6eoq DIPEPTIDYL PEPTIDASE
9


(Homo sapiens)
no annotation 5 GLN A 373
LEU A 376
LYS A 314
ASN A 312
ALA A 316
None
1.31A 4pclB-6eoqA:
2.3
4pclB-6eoqA:
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2


(Homo sapiens)
no annotation 5 GLN A 437
LEU A 433
PHE A 489
ALA A 580
ASN A 629
None
1.35A 4pclB-6etiA:
2.2
4pclB-6etiA:
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635)
PF00150
(Cellulase)
PF03424
(CBM_17_28)
4 SER A 461
GLU A 392
GLU A 399
ASP A 429
None
1.36A 4pclB-1g01A:
0.9
4pclB-1g01A:
19.51
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.
1l5a AMIDE SYNTHASE

(Vibrio cholerae)
PF00668
(Condensation)
4 SER A 174
GLU A 168
GLU A 314
ASP A 180
None
1.33A 4pclB-1l5aA:
0.0
4pclB-1l5aA:
18.54
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT


(Propionibacterium
freudenreichii)
PF01039
(Carboxyl_trans)
4 SER A 102
GLU A  49
GLU A  37
ASP A 139
None
1.49A 4pclB-1on9A:
0.6
4pclB-1on9A:
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.
2ggj N-ACYLAMINO ACID
RACEMASE


(Deinococcus
radiodurans)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 SER A 324
GLU A 300
GLU A  57
ASP A 322
None
1.47A 4pclB-2ggjA:
0.7
4pclB-2ggjA:
19.73
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 SER A 211
GLU A 289
GLU A 448
ASP A 284
None
0.96A 4pclB-3iv0A:
0.0
4pclB-3iv0A:
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.
3m85 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2


(Archaeoglobus
fulgidus)
PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
4 SER G 228
GLU G 100
GLU G  94
ASP G 209
None
1.32A 4pclB-3m85G:
0.0
4pclB-3m85G:
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.
3muu STRUCTURAL
POLYPROTEIN


(Sindbis virus)
PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop)
4 SER A 632
GLU A 327
GLU A 334
ASP A 630
None
1.43A 4pclB-3muuA:
undetectable
4pclB-3muuA:
15.62
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.
3s9x ASCH DOMAIN

(Vibrio cholerae)
PF04266
(ASCH)
4 SER A  28
GLU A 147
GLU A 109
ASP A  30
None
0.99A 4pclB-3s9xA:
undetectable
4pclB-3s9xA:
19.11
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.
3wdo MFS TRANSPORTER

(Escherichia
coli)
PF07690
(MFS_1)
4 SER A 190
GLU A 130
GLU A 272
ASP A 126
None
1.48A 4pclB-3wdoA:
0.0
4pclB-3wdoA:
19.64
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.
4ida RIPENING-INDUCED
PROTEIN


(Fragaria vesca)
PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2)
4 SER A 190
GLU A 225
GLU A 218
ASP A 210
EDO  A 403 ( 4.3A)
None
None
None
1.47A 4pclB-4idaA:
6.5
4pclB-4idaA:
20.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN


(Anaplasma
phagocytophilum)
PF01596
(Methyltransf_3)
4 SER A  70
GLU A  88
GLU A 116
ASP A 136
SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
SAM  A 301 (-3.9A)
MN  A 303 ( 2.7A)
0.15A 4pclB-4pclA:
40.6
4pclB-4pclA:
100.00