SIMILAR PATTERNS OF AMINO ACIDS FOR 3CLD_B_GW6B2_1

List of similar pattern of amino acids derived from ASSAM search

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

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