SIMILAR PATTERNS OF AMINO ACIDS FOR 3CLD_B_GW6B2

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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		5 GLY A  30
MET A  93
CYH A  91
LEU A  88
THR A  67
 None
None
ZN  A 200 ( 2.3A)
None
None
 1.40A 3cldB-1uaqA:
undetectable		 3cldB-1uaqA:
24.30
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.
1uaq CYTOSINE DEAMINASE

(Saccharomyces
cerevisiae) 		PF00383
(dCMP_cyt_deam_1) 		5 GLY A  30
MET A 141
MET A  93
CYH A  91
LEU A  88
 None
None
None
ZN  A 200 ( 2.3A)
None
 1.24A 3cldB-1uaqA:
undetectable		 3cldB-1uaqA:
24.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ax9 ANDROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ASN A 705
GLY A 708
GLN A 711
MET A 742
ARG A 752
CYH A 784
LEU A 873
PHE A 891
 BHM  A   1 (-3.6A)
BHM  A   1 ( 3.8A)
BHM  A   1 (-2.2A)
BHM  A   1 ( 4.0A)
BHM  A   1 (-3.8A)
None
BHM  A   1 (-4.4A)
None
 0.88A 3cldB-2ax9A:
32.4		 3cldB-2ax9A:
48.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		9 ASN A  33
GLN A  39
MET A  70
ARG A  80
CYH A 112
LEU A 201
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
1CA  A 247 (-3.1A)
1CA  A 247 ( 3.8A)
1CA  A 247 (-3.8A)
None
1CA  A 247 ( 4.2A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.49A 3cldB-2q3yA:
35.9		 3cldB-2q3yA:
62.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		5 ASN A  33
GLY A  37
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
None
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 0.82A 3cldB-2q3yA:
35.9		 3cldB-2q3yA:
62.31
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 GLY A 298
GLN A 297
LEU A 239
CYH A 243
PHE A 254
 None
 1.30A 3cldB-3g5iA:
undetectable		 3cldB-3g5iA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 ASN A 719
GLY A 722
MET A 756
ARG A 766
CYH A 798
LEU A 887
CYH A 891
THR A 894
PHE A 905
 WOW  A   1 (-3.3A)
WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
WOW  A   1 (-4.6A)
 0.55A 3cldB-3kbaA:
34.5		 3cldB-3kbaA:
52.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kba PROGESTERONE
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 GLY A 722
GLN A 725
MET A 756
ARG A 766
CYH A 798
LEU A 887
CYH A 891
THR A 894
 WOW  A   1 ( 4.3A)
WOW  A   1 ( 4.1A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-3.8A)
WOW  A   1 ( 4.1A)
WOW  A   1 (-4.0A)
WOW  A   1 (-3.5A)
WOW  A   1 (-3.9A)
 0.74A 3cldB-3kbaA:
34.5		 3cldB-3kbaA:
52.31
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.
3pjy HYPOTHETICAL SIGNAL
PEPTIDE PROTEIN

(Sinorhizobium
meliloti) 		PF02643
(DUF192) 		5 MET A  99
MET A  70
ARG A 142
LEU A  95
PHE A  78
 None
 1.46A 3cldB-3pjyA:
undetectable		 3cldB-3pjyA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		10 ASN A  33
GLY A  36
GLN A  39
MET A  70
ARG A  80
CYH A 112
LEU A 201
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
1CA  A 249 ( 4.0A)
1CA  A 249 (-3.0A)
1CA  A 249 ( 3.8A)
1CA  A 249 (-3.5A)
None
1CA  A 249 ( 4.2A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.48A 3cldB-3ry9A:
35.9		 3cldB-3ry9A:
71.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		6 ASN A  33
GLY A  37
MET A  70
CYH A 205
THR A 208
PHE A 219
 1CA  A 249 (-3.0A)
None
1CA  A 249 ( 3.8A)
1CA  A 249 (-4.0A)
1CA  A 249 (-3.2A)
1CA  A 249 (-4.3A)
 0.99A 3cldB-3ry9A:
35.9		 3cldB-3ry9A:
71.09
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.
4ghn UNCHARACTERIZED
PROTEIN

(Bacteroides
uniformis) 		PF03572
(Peptidase_S41) 		5 MET A 282
ASN A 280
GLY A 279
MET A 306
CYH A 288
 None
 1.37A 3cldB-4ghnA:
undetectable		 3cldB-4ghnA:
23.70
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.
4hyr GLUCARATE
DEHYDRATASE

(Acidaminococcus
intestini) 		PF13378
(MR_MLE_C) 		5 MET A 213
LEU A 230
CYH A 255
THR A 282
PHE A 274
 None
 1.49A 3cldB-4hyrA:
undetectable		 3cldB-4hyrA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ASN A 564
GLY A 568
MET A 601
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 0.91A 3cldB-4p6wA:
39.2		 3cldB-4p6wA:
96.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		12 MET A 560
ASN A 564
GLY A 567
GLN A 570
MET A 601
ARG A 611
MET A 639
CYH A 643
LEU A 732
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 ( 3.7A)
MOF  A 801 ( 4.2A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 0.46A 3cldB-4p6wA:
39.2		 3cldB-4p6wA:
96.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		7 ASN A 770
GLN A 776
MET A 807
ARG A 817
CYH A 849
LEU A 938
THR A 945
 CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 4.2A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.1A)
 0.71A 3cldB-4udbA:
34.5		 3cldB-4udbA:
52.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ASN A 770
GLN A 776
MET A 807
ARG A 817
LEU A 938
CYH A 942
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.47A 3cldB-4udbA:
34.5		 3cldB-4udbA:
52.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 ASN A 770
GLY A 774
CYH A 942
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
None
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.95A 3cldB-4udbA:
34.5		 3cldB-4udbA:
52.57
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.
4wr2 PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Shewanella
loihica) 		PF01156
(IU_nuc_hydro) 		5 GLY A 344
GLN A 343
LEU A 285
CYH A 289
PHE A 300
 None
 1.28A 3cldB-4wr2A:
undetectable		 3cldB-4wr2A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		5 GLN A 427
MET A 270
CYH A 483
LEU A 440
CYH A 438
 None
 1.28A 3cldB-5d9aA:
undetectable		 3cldB-5d9aA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		5 MET A 270
CYH A 483
LEU A 440
CYH A 438
PHE A 629
 None
 1.26A 3cldB-5d9aA:
undetectable		 3cldB-5d9aA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ASN A 127
GLY A 182
MET A 140
LEU A 162
THR A 155
 None
None
None
None
SRM  A 702 (-3.2A)
 1.46A 3cldB-5h8yA:
undetectable		 3cldB-5h8yA:
18.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 9 ASN A 770
GLN A 776
MET A 807
ARG A 817
CYH A 849
LEU A 938
CYH A 942
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
ECV  A1101 (-2.9A)
ECV  A1101 (-3.6A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.8A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.54A 3cldB-5mwpA:
35.2		 3cldB-5mwpA:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mwp MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		no annotation 5 ASN A 770
GLY A 774
CYH A 942
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
None
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.86A 3cldB-5mwpA:
35.2		 3cldB-5mwpA:
45.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 8 MET A 556
ASN A 560
GLY A 563
GLN A 566
MET A 597
ARG A 607
MET A 635
CYH A 639
 None
486  A 801 (-4.2A)
486  A 801 (-3.7A)
486  A 801 (-2.8A)
CPS  A 803 ( 3.9A)
486  A 801 (-3.5A)
486  A 801 ( 4.7A)
486  A 801 ( 3.9A)
 0.77A 3cldB-5uc1A:
26.0		 3cldB-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		6 ASN A  33
GLY A  37
MET A  70
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.94A 3cldB-5ufsA:
38.3		 3cldB-5ufsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		11 MET A  29
ASN A  33
GLY A  36
GLN A  39
MET A  70
ARG A  80
CYH A 112
LEU A 201
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 ( 2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.6A)
1TA  A 301 ( 3.8A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 0.45A 3cldB-5ufsA:
38.3		 3cldB-5ufsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		7 MET A  29
GLY A  36
GLN A  39
ARG A  80
MET A 108
CYH A 112
LEU A 201
 1TA  A 301 ( 2.9A)
1TA  A 301 (-2.9A)
1TA  A 301 (-3.0A)
1TA  A 301 (-3.5A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 3.6A)
1TA  A 301 ( 3.8A)
 0.80A 3cldB-5ufsA:
38.3		 3cldB-5ufsA:
76.77
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.
1cjx 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 ALA A  94
LEU A  95
TYR A 125
ILE A  65
 None
None
None
EMC  A 630 ( 4.1A)
 0.88A 3cldB-1cjxA:
0.0		 3cldB-1cjxA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 LEU A 306
ALA A 269
LEU A 268
MET A 262
 None
 0.82A 3cldB-1d6sA:
0.0		 3cldB-1d6sA:
19.63
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.
1ghs 1,3-BETA-GLUCANASE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		4 LEU A 254
ALA A 268
LEU A 269
ILE A 304
 None
 0.84A 3cldB-1ghsA:
0.0		 3cldB-1ghsA:
19.62
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.
1hqr STREPTOCOCCAL
PYROGENIC EXOTOXIN C

(Streptococcus
pyogenes) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 ALA D 559
GLN D 630
TYR D 688
ILE D 670
 None
 0.94A 3cldB-1hqrD:
0.0		 3cldB-1hqrD:
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.
1kmq TRANSFORMING PROTEIN
RHOA

(Homo sapiens) 		PF00071
(Ras) 		4 LEU A  81
ALA A  56
LEU A  55
TYR A  74
 None
 0.91A 3cldB-1kmqA:
0.0		 3cldB-1kmqA:
21.43
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.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		4 LEU B 164
ALA B  76
LEU B  79
TYR B 116
 None
 0.88A 3cldB-1kwcB:
undetectable		 3cldB-1kwcB:
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.
1qyr HIGH LEVEL
KASUGAMYCIN
RESISTANCE PROTEIN

(Escherichia
coli) 		PF00398
(RrnaAD) 		4 LEU A 232
ALA A 265
TYR A 257
ILE A 225
 None
 0.92A 3cldB-1qyrA:
0.0		 3cldB-1qyrA:
21.67
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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		4 LEU A 227
GLN A  61
MET A 142
ILE A  57
 None
 0.90A 3cldB-1rh1A:
2.1		 3cldB-1rh1A:
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.
1tfe ELONGATION FACTOR TS

(Thermus
thermophilus) 		PF00889
(EF_TS) 		4 MET A  98
ALA A  97
LEU A  96
GLN A  90
 None
 0.74A 3cldB-1tfeA:
0.0		 3cldB-1tfeA:
20.23
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		4 ALA C 555
LEU C 558
GLN C 594
ILE C 626
 None
 0.56A 3cldB-1wa5C:
undetectable		 3cldB-1wa5C:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xtp LMAJ004091AAA

(Leishmania
major) 		PF05891
(Methyltransf_PK) 		4 LEU A 161
ALA A 186
LEU A 187
ILE A 107
 None
None
None
SAI  A 401 (-4.9A)
 0.89A 3cldB-1xtpA:
undetectable		 3cldB-1xtpA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 LEU A 257
ALA A 278
LEU A 279
ILE A 246
 None
 0.82A 3cldB-1yq2A:
undetectable		 3cldB-1yq2A:
12.88
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.
1zdx OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF13954
(PapC_N) 		4 LEU A  69
ALA A  86
LEU A  85
ILE A  37
 None
 0.93A 3cldB-1zdxA:
undetectable		 3cldB-1zdxA:
18.33
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.
2cqz 177AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13023
(HD_3) 		4 LEU A  44
LEU A 166
GLN A 118
ILE A  55
 None
 0.92A 3cldB-2cqzA:
2.9		 3cldB-2cqzA:
20.31
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.
2do9 NACHT-, LRR- AND
PYD-CONTAINING
PROTEIN 10

(Mus musculus) 		PF02758
(PYRIN) 		4 LEU A  89
MET A   8
ALA A   9
LEU A  10
 None
 0.81A 3cldB-2do9A:
undetectable		 3cldB-2do9A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fco RECOMBINATION
PROTEIN U
(PENICILLIN-BINDING
PROTEIN RELATED
FACTOR A)

(Geobacillus
kaustophilus) 		PF03838
(RecU) 		4 ALA A 149
LEU A 152
TYR A  87
ILE A 187
 None
 0.93A 3cldB-2fcoA:
undetectable		 3cldB-2fcoA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kn6 APOPTOSIS-ASSOCIATED
SPECK-LIKE PROTEIN
CONTAINING A CARD

(Homo sapiens) 		PF00619
(CARD)
PF02758
(PYRIN) 		4 LEU A  12
MET A  81
ALA A  82
LEU A  85
 None
 0.92A 3cldB-2kn6A:
undetectable		 3cldB-2kn6A:
21.55
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.
2mem SEX COMB ON
MIDLEG-LIKE PROTEIN
2

(Homo sapiens) 		PF12140
(SLED) 		4 LEU A 379
ALA A 403
LEU A 371
GLN A 397
 None
 0.78A 3cldB-2memA:
undetectable		 3cldB-2memA:
15.00
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.
2o0x 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00275
(EPSP_synthase) 		4 LEU A 247
ALA A 275
LEU A 274
ILE A 392
 None
 0.85A 3cldB-2o0xA:
undetectable		 3cldB-2o0xA:
21.25
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.
2ojl HYPOTHETICAL PROTEIN

(Bordetella
parapertussis) 		PF10262
(Rdx) 		4 LEU A  62
MET A  28
ALA A  29
LEU A  32
 None
 0.89A 3cldB-2ojlA:
undetectable		 3cldB-2ojlA:
16.67
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.
2p2w CITRATE SYNTHASE

(Thermotoga
maritima) 		PF00285
(Citrate_synt) 		4 ALA A 319
LEU A 320
MET A 316
ILE A 139
 None
 0.74A 3cldB-2p2wA:
undetectable		 3cldB-2p2wA:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		4 LEU A  32
MET A  73
ALA A  74
LEU A  77
 1CA  A 247 (-4.0A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 4.4A)
1CA  A 247 ( 3.9A)
 0.62A 3cldB-2q3yA:
35.9		 3cldB-2q3yA:
62.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q3y ANCESTRAL CORTICIOD
RECEPTOR

(unidentified) 		PF00104
(Hormone_recep) 		4 LEU A  32
MET A  73
LEU A  77
MET A 115
 1CA  A 247 (-4.0A)
1CA  A 247 (-3.6A)
1CA  A 247 ( 3.9A)
1CA  A 247 ( 3.7A)
 0.72A 3cldB-2q3yA:
35.9		 3cldB-2q3yA:
62.31
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.
2qna IMPORTIN SUBUNIT
BETA-1

(Homo sapiens) 		PF13513
(HEAT_EZ) 		4 ALA A 259
LEU A 260
MET A 256
ILE A 178
 None
 0.83A 3cldB-2qnaA:
undetectable		 3cldB-2qnaA:
15.55
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		4 LEU A  62
LEU A 111
TYR A  27
ILE A  17
 None
 0.84A 3cldB-2qruA:
undetectable		 3cldB-2qruA:
23.84
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 LEU A 829
ALA A1082
LEU A1085
GLN A 824
 None
 0.91A 3cldB-2vdcA:
undetectable		 3cldB-2vdcA:
10.62
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 MET A 140
ALA A 141
LEU A 144
ILE A 342
 None
 0.83A 3cldB-2vz9A:
undetectable		 3cldB-2vz9A:
6.87
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		4 ALA M 201
LEU M 260
GLN M 194
ILE M 155
 None
 0.79A 3cldB-2w4gM:
undetectable		 3cldB-2w4gM:
14.68
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.
2wui TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		4 MET A  62
ALA A  61
LEU A  60
TYR A  49
 None
 0.94A 3cldB-2wuiA:
undetectable		 3cldB-2wuiA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		4 ALA A 164
LEU A 167
GLN A 445
ILE A 179
 None
 0.94A 3cldB-2zj8A:
undetectable		 3cldB-2zj8A:
17.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		4 LEU A 209
ALA A 102
LEU A 141
GLN A 204
 None
 0.72A 3cldB-3a52A:
undetectable		 3cldB-3a52A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be8 NEUROLIGIN-4,
X-LINKED

(Homo sapiens) 		PF00135
(COesterase) 		4 LEU A 262
MET A 357
LEU A 356
ILE A 172
 None
 0.91A 3cldB-3be8A:
undetectable		 3cldB-3be8A:
16.19
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.
3bed PTS SYSTEM, IIA
COMPONENT

(Enterococcus
faecalis) 		PF03610
(EIIA-man) 		4 LEU A   5
ALA A 112
LEU A 111
ILE A  33
 None
 0.91A 3cldB-3bedA:
undetectable		 3cldB-3bedA:
20.62
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.
3d3w L-XYLULOSE REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		4 LEU B  79
ALA B 119
LEU B 122
ILE B 219
 None
 0.92A 3cldB-3d3wB:
undetectable		 3cldB-3d3wB:
22.10
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.
3el6 ERYTHROMYCIN
DEHYDRATASE

(Saccharopolyspora
erythraea) 		PF14765
(PS-DH) 		4 LEU A  60
ALA A  89
LEU A  33
ILE A 106
 None
 0.93A 3cldB-3el6A:
undetectable		 3cldB-3el6A:
21.32
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ALA B  44
LEU B 112
GLN A 368
ILE A 390
 None
 0.84A 3cldB-3h1lB:
undetectable		 3cldB-3h1lB:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h6n PLEXIN-D1

(Homo sapiens) 		PF08337
(Plexin_cytopl) 		4 LEU A1580
MET A1652
ALA A1651
LEU A1650
 None
 0.88A 3cldB-3h6nA:
undetectable		 3cldB-3h6nA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hqf RESTRICTION
ENDONUCLEASE

(Escherichia
coli) 		PF09217
(EcoRII-N) 		4 LEU A 120
ALA A 116
LEU A  25
ILE A  13
 None
 0.88A 3cldB-3hqfA:
undetectable		 3cldB-3hqfA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kbr CYCLOHEXADIENYL
DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00497
(SBP_bac_3) 		4 MET A  66
ALA A  67
LEU A  70
ILE A 106
 None
 0.39A 3cldB-3kbrA:
undetectable		 3cldB-3kbrA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Coxiella
burnetii) 		PF07515
(TraI_2_C) 		4 ALA A 239
LEU A 240
TYR A  16
ILE A 131
 None
 0.70A 3cldB-3kq5A:
undetectable		 3cldB-3kq5A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lxy 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Yersinia pestis) 		PF04166
(PdxA) 		4 LEU A 289
ALA A 116
LEU A 117
ILE A 188
 None
 0.94A 3cldB-3lxyA:
undetectable		 3cldB-3lxyA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3moi PROBABLE
DEHYDROGENASE

(Bordetella
bronchiseptica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 LEU A  56
ALA A  67
LEU A  89
MET A  65
 None
 0.89A 3cldB-3moiA:
undetectable		 3cldB-3moiA:
19.95
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.
3n5f N-CARBAMOYL-L-AMINO
ACID HYDROLASE

(Geobacillus
stearothermophilus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 143
ALA A 159
LEU A 158
MET A 162
 None
 0.87A 3cldB-3n5fA:
undetectable		 3cldB-3n5fA:
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.
3q3c PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 LEU A  92
MET A  16
ALA A  17
LEU A  20
 None
 0.94A 3cldB-3q3cA:
undetectable		 3cldB-3q3cA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 478
LEU A 477
MET A 481
ILE A 171
 None
 0.90A 3cldB-3rimA:
undetectable		 3cldB-3rimA:
15.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		4 LEU A  32
MET A  73
ALA A  74
LEU A  77
 1CA  A 249 (-3.9A)
1CA  A 249 (-3.9A)
1CA  A 249 ( 4.7A)
1CA  A 249 ( 4.1A)
 0.50A 3cldB-3ry9A:
35.9		 3cldB-3ry9A:
71.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ry9 ANCESTRAL
GLUCOCORTICOID
RECEPTOR 1

(synthetic
construct) 		PF00104
(Hormone_recep) 		4 LEU A  32
MET A  73
LEU A  77
MET A 115
 1CA  A 249 (-3.9A)
1CA  A 249 (-3.9A)
1CA  A 249 ( 4.1A)
1CA  A 249 (-3.6A)
 0.64A 3cldB-3ry9A:
35.9		 3cldB-3ry9A:
71.09
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.
3sdq ALPHA-BISABOLENE
SYNTHASE

(Abies grandis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 LEU A 779
ALA A 689
LEU A 690
GLN A 683
 None
 0.87A 3cldB-3sdqA:
undetectable		 3cldB-3sdqA:
15.47
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.
3tad LIPRIN-ALPHA-2

(Homo sapiens) 		PF00536
(SAM_1)
PF07647
(SAM_2) 		4 LEU A1153
LEU A1138
TYR A1147
ILE A1156
 None
 0.94A 3cldB-3tadA:
undetectable		 3cldB-3tadA:
22.62
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		4 ALA A 290
LEU A 293
GLN A 355
ILE A 365
 None
None
SO4  A1001 (-3.1A)
None
 0.80A 3cldB-3thcA:
undetectable		 3cldB-3thcA:
17.29
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ALA A 410
LEU A 409
GLN A 421
TYR A 417
 None
 0.88A 3cldB-3zukA:
undetectable		 3cldB-3zukA:
17.00
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.
4b5d CAPITELLA TELETA
ACHBP

(Capitella
teleta) 		PF02931
(Neur_chan_LBD) 		4 MET A   5
ALA A   6
LEU A   9
GLN A  85
 None
 0.48A 3cldB-4b5dA:
undetectable		 3cldB-4b5dA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Burkholderia
pseudomallei) 		no annotation 4 ALA A  20
LEU A  23
TYR A  65
ILE A 178
 None
 0.86A 3cldB-4bqnA:
undetectable		 3cldB-4bqnA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d10 COP9 SIGNALOSOME
COMPLEX SUBUNIT 6

(Homo sapiens) 		PF01398
(JAB)
PF13012
(MitMem_reg) 		4 LEU F  72
ALA F  42
LEU F  43
ILE F 146
 None
 0.89A 3cldB-4d10F:
undetectable		 3cldB-4d10F:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d3d IMINE REDUCTASE

(Bacillus cereus) 		PF03446
(NAD_binding_2) 		4 LEU A  84
ALA A 123
LEU A 126
TYR A 154
 None
 0.84A 3cldB-4d3dA:
undetectable		 3cldB-4d3dA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 202
LEU A 201
MET A 205
ILE A 143
 None
 0.93A 3cldB-4gkvA:
undetectable		 3cldB-4gkvA:
20.23
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.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 202
LEU A 201
MET A 205
TYR A 180
 None
 0.84A 3cldB-4gkvA:
undetectable		 3cldB-4gkvA:
20.23
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.
4he8 NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 8

(Thermus
thermophilus) 		no annotation 4 LEU H 153
ALA H 142
TYR H 134
ILE H 160
 None
 0.91A 3cldB-4he8H:
undetectable		 3cldB-4he8H:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 MET A 573
ALA A 574
LEU A 577
GLN A 558
 None
 0.94A 3cldB-4k0eA:
undetectable		 3cldB-4k0eA:
12.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzy HUMAN INITIATION
FACTOR EIF1

(Homo sapiens) 		PF00366
(Ribosomal_S17)
PF16205
(Ribosomal_S17_N) 		4 ALA l 103
LEU l 102
GLN l  48
ILE l  35
 None
 0.91A 3cldB-4kzyl:
undetectable		 3cldB-4kzyl:
16.41
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.
4lq6 N-ACETYMURAMYL-L-ALA
NINE AMIDASE-RELATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01520
(Amidase_3) 		4 LEU A 210
ALA A  60
LEU A  61
GLN A 139
 None
 0.92A 3cldB-4lq6A:
undetectable		 3cldB-4lq6A:
21.11
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		4 LEU A 104
ALA A 298
LEU A 297
GLN A  82
 None
 0.77A 3cldB-4n9xA:
undetectable		 3cldB-4n9xA:
22.42
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.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 ALA A  81
LEU A  82
GLN A   2
ILE A  34
 None
 0.65A 3cldB-4o6rA:
undetectable		 3cldB-4o6rA:
19.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p6w GLUCOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 LEU A 563
MET A 604
ALA A 605
LEU A 608
GLN A 642
MET A 646
TYR A 735
ILE A 747
 MOF  A 801 (-3.9A)
None
MOF  A 801 ( 4.8A)
MOF  A 801 ( 4.6A)
None
MOF  A 801 (-4.4A)
MOF  A 801 (-4.8A)
MOF  A 801 ( 4.4A)
 0.55A 3cldB-4p6wA:
39.2		 3cldB-4p6wA:
96.83
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.
4r14 COP9 SIGNALOSOME
COMPLEX SUBUNIT 6

(Homo sapiens) 		PF01398
(JAB) 		4 LEU A  72
ALA A  42
LEU A  43
ILE A 146
 None
 0.90A 3cldB-4r14A:
undetectable		 3cldB-4r14A:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uqw PROTEIN CLPV1

(Pseudomonas
aeruginosa) 		PF02861
(Clp_N) 		4 LEU A  53
ALA A  68
LEU A  67
GLN A  44
 None
 0.93A 3cldB-4uqwA:
undetectable		 3cldB-4uqwA:
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.
4wb0 BROAD SPECIFICITY
AMINOTRANSFERASE

(Leishmania
mexicana) 		PF00155
(Aminotran_1_2) 		4 ALA A 113
LEU A 114
GLN A 189
ILE A 247
 None
 0.91A 3cldB-4wb0A:
undetectable		 3cldB-4wb0A:
20.78
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.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 ALA A 192
LEU A 191
MET A 195
ILE A  36
 None
 0.92A 3cldB-4wpgA:
undetectable		 3cldB-4wpgA:
21.43
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		4 MET A 239
ALA A 240
LEU A 243
ILE A 229
 None
 0.64A 3cldB-4xnuA:
0.7		 3cldB-4xnuA:
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ALA A 682
LEU A 685
MET A 722
ILE A 704
 None
 0.84A 3cldB-4ztxA:
undetectable		 3cldB-4ztxA:
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT E

(Oryctolagus
cuniculus) 		PF01399
(PCI)
PF09440
(eIF3_N) 		4 ALA E 245
GLN E 239
TYR E 242
ILE E 253
 None
 0.88A 3cldB-5a5tE:
undetectable		 3cldB-5a5tE:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A
TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6

(Homo sapiens) 		PF04189
(Gcd10p)
PF08704
(GCD14) 		4 ALA A  93
LEU A  94
TYR B 400
ILE B 180
 None
 0.72A 3cldB-5ccxA:
undetectable		 3cldB-5ccxA:
20.40
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 ALA A 526
LEU A 527
MET A 523
ILE A  69
 None
 0.86A 3cldB-5cslA:
undetectable		 3cldB-5cslA:
7.94
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 ALA A  78
LEU A  79
TYR A  94
ILE A 236
 None
 0.78A 3cldB-5dmhA:
undetectable		 3cldB-5dmhA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g2z THIOREDOXIN

(Litopenaeus
vannamei) 		PF00085
(Thioredoxin) 		4 ALA A  39
LEU A  42
GLN A   4
ILE A  65
 None
 0.88A 3cldB-5g2zA:
undetectable		 3cldB-5g2zA:
16.99
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.
5h2g DIAMINOPIMELATE
EPIMERASE

(Corynebacterium
glutamicum) 		PF01678
(DAP_epimerase) 		4 LEU A 179
ALA A 173
LEU A 174
GLN A 148
 None
 0.79A 3cldB-5h2gA:
undetectable		 3cldB-5h2gA:
19.61
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.
5h46 DNA PROTECTION
DURING STARVATION
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00210
(Ferritin) 		4 LEU A  31
ALA A 108
LEU A 109
ILE A  86
 None
 0.77A 3cldB-5h46A:
undetectable		 3cldB-5h46A:
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.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 4 LEU C 360
ALA C 352
TYR C 289
ILE C 363
 None
 0.83A 3cldB-5h9uC:
undetectable		 3cldB-5h9uC:
20.87
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		4 LEU A 207
ALA A 222
LEU A 232
ILE A 259
 None
 0.85A 3cldB-5haxA:
undetectable		 3cldB-5haxA:
16.60
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.
5hmq 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
putida) 		PF00903
(Glyoxalase)
PF01261
(AP_endonuc_2)
PF14696
(Glyoxalase_5) 		4 LEU A 261
MET A 220
ALA A 221
LEU A 224
 None
 0.78A 3cldB-5hmqA:
undetectable		 3cldB-5hmqA:
17.33
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.
5i5p TRAP TRANSPORTER
SOLUTE BINDING
PROTEIN

(uncultured
marine
bacterium) 		PF03480
(DctP) 		4 ALA A 160
LEU A 182
MET A 304
ILE A 293
 None
 0.80A 3cldB-5i5pA:
undetectable		 3cldB-5i5pA:
22.06
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.
5ibz UNCHARACTERIZED
PROTEIN

(uncultured
organism) 		PF04199
(Cyclase) 		4 LEU A 335
ALA A 339
LEU A 320
ILE A  77
 None
 0.73A 3cldB-5ibzA:
undetectable		 3cldB-5ibzA:
20.76
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.
5j5p DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 LEU A 290
ALA A 325
LEU A 324
ILE A 330
 None
 0.91A 3cldB-5j5pA:
undetectable		 3cldB-5j5pA:
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.
5k8o 5-NITROANTHRANILIC
ACID AMINOHYDROLASE

(Bradyrhizobium
sp.) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 246
ALA A 233
LEU A 234
ILE A 276
 None
 0.85A 3cldB-5k8oA:
undetectable		 3cldB-5k8oA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzm TRYPTOPHAN SYNTHASE
BETA CHAIN

(Francisella
tularensis) 		PF00291
(PALP) 		4 ALA B  97
LEU B  96
GLN B  26
MET B 100
 None
 0.85A 3cldB-5kzmB:
undetectable		 3cldB-5kzmB:
20.91
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.
5l75 FIG000906: PREDICTED
PERMEASE

(Klebsiella
pneumoniae) 		PF03739
(YjgP_YjgQ) 		4 MET G  70
ALA G  71
LEU G  74
ILE G  32
 None
 0.78A 3cldB-5l75G:
undetectable		 3cldB-5l75G:
21.33
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.
5lsk POLYAMINE-MODULATED
FACTOR 1
PROTEIN MIS12
HOMOLOG

(Homo sapiens) 		PF03980
(Nnf1)
PF05859
(Mis12) 		4 LEU A 138
ALA B 168
LEU B 167
GLN B 161
 None
 0.80A 3cldB-5lskA:
undetectable		 3cldB-5lskA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 4 LEU A 559
ALA A 601
LEU A 604
MET A 642
 486  A 801 (-4.7A)
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
 0.68A 3cldB-5uc1A:
26.0		 3cldB-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uc1 GLUCOCORTICOID
RECEPTOR

(Heterocephalus
glaber) 		no annotation 4 MET A 600
ALA A 601
LEU A 604
MET A 642
 None
CPS  A 803 ( 3.9A)
486  A 801 ( 3.8A)
486  A 801 ( 3.8A)
 0.70A 3cldB-5uc1A:
26.0		 3cldB-5uc1A:
95.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  32
MET A  73
ALA A  74
LEU A  77
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 (-4.2A)
1TA  A 301 ( 3.7A)
1TA  A 301 ( 3.4A)
1TA  A 301 ( 2.8A)
 0.40A 3cldB-5ufsA:
38.3		 3cldB-5ufsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 LEU A  32
MET A  73
LEU A  77
GLN A 111
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 (-4.2A)
1TA  A 301 ( 3.4A)
None
1TA  A 301 ( 2.8A)
 0.53A 3cldB-5ufsA:
38.3		 3cldB-5ufsA:
76.77
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.
5v6t PLEXIN-D1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		4 LEU A1580
MET A1652
ALA A1651
LEU A1650
 None
 0.78A 3cldB-5v6tA:
undetectable		 3cldB-5v6tA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 4 LEU A 128
ALA A 141
LEU A 140
MET A 144
 None
 0.74A 3cldB-5wp4A:
undetectable		 3cldB-5wp4A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x8z PENICILLIN V
ACYLASE-LIKE PROTEIN

(Shewanella
loihica) 		no annotation 4 LEU A 166
MET A  86
ALA A  87
GLN A 175
 None
 0.89A 3cldB-5x8zA:
undetectable		 3cldB-5x8zA:
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.
5xn6 OS02G0668100 PROTEIN
OS07G0580900 PROTEIN

(Oryza sativa) 		PF00348
(polyprenyl_synt) 		4 LEU A 152
ALA A 193
LEU A 194
ILE C 130
 None
 0.77A 3cldB-5xn6A:
undetectable		 3cldB-5xn6A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zhg OUTER CAPSID PROTEIN
VP8*

(Rotavirus C) 		no annotation 4 MET A 152
LEU A  34
GLN A  26
ILE A   2
 None
 0.78A 3cldB-5zhgA:
undetectable		 3cldB-5zhgA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zvs VP2

(Aquareovirus C) 		no annotation 4 LEU 21236
ALA 21260
LEU 21263
ILE 21204
 None
 0.93A 3cldB-5zvs2:
undetectable		 3cldB-5zvs2:
13.08
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.
6cth CONCANAVALIN A-LIKE
LECTIN PROTEIN
KINASE FAMILY
PROTEIN

(Theobroma cacao) 		no annotation 4 LEU A 511
MET A 504
ALA A 505
LEU A 502
 None
 0.92A 3cldB-6cthA:
undetectable		 3cldB-6cthA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 4 LEU A 435
LEU A 482
GLN A 457
ILE A 437
 None
 0.90A 3cldB-6eksA:
undetectable		 3cldB-6eksA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ezy -

(-) 		no annotation 4 LEU A 110
ALA A 140
LEU A 143
MET A 184
 LEU  A 110 ( 0.6A)
ALA  A 140 ( 0.0A)
LEU  A 143 ( 0.5A)
MET  A 184 ( 0.0A)
 0.82A 3cldB-6ezyA:
undetectable		 3cldB-6ezyA:
undetectable