SIMILAR PATTERNS OF AMINO ACIDS FOR 3CLD_A_GW6A1

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.
1uwv 23S RRNA
(URACIL-5-)-METHYLTR
ANSFERASE RUMA

(Escherichia
coli) 		PF01938
(TRAM)
PF05958
(tRNA_U5-meth_tr) 		5 GLY A  28
GLN A  92
LEU A  99
THR A  38
PHE A  40
 None
 1.48A 3cldA-1uwvA:
0.0		 3cldA-1uwvA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ASN A   8
GLY A 142
GLN A 171
LEU A 156
THR A  92
 None
 1.47A 3cldA-2ajrA:
undetectable		 3cldA-2ajrA:
21.07
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
 0.86A 3cldA-2ax9A:
32.3		 3cldA-2ax9A:
48.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 GLY A 344
LEU A 349
ARG A 348
CYH A 269
PHE A 213
 None
 1.48A 3cldA-2p50A:
undetectable		 3cldA-2p50A:
21.30
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) 		10 ASN A  33
GLN A  39
MET A  70
LEU A  77
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 ( 3.9A)
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)
 0.48A 3cldA-2q3yA:
35.8		 3cldA-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) 		6 ASN A  33
GLY A  37
MET A  70
CYH A 205
THR A 208
PHE A 219
 1CA  A 247 (-2.9A)
None
1CA  A 247 ( 3.8A)
1CA  A 247 (-4.0A)
1CA  A 247 (-3.4A)
1CA  A 247 (-4.5A)
 1.07A 3cldA-2q3yA:
35.8		 3cldA-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 3cldA-3g5iA:
0.0		 3cldA-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) 		10 ASN A 719
GLY A 722
MET A 756
LEU A 763
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 ( 4.0A)
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)
 0.56A 3cldA-3kbaA:
34.7		 3cldA-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) 		9 GLY A 722
GLN A 725
MET A 756
LEU A 763
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 ( 4.0A)
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)
 0.75A 3cldA-3kbaA:
34.7		 3cldA-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.
3llm ATP-DEPENDENT RNA
HELICASE A

(Homo sapiens) 		PF00270
(DEAD) 		5 GLY A 462
GLN A 371
LEU A 368
LEU A 426
THR A 419
 None
None
None
None
ADP  A 565 (-2.8A)
 1.44A 3cldA-3llmA:
0.0		 3cldA-3llmA:
18.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.47A 3cldA-3pjyA:
undetectable		 3cldA-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) 		11 ASN A  33
GLY A  36
GLN A  39
MET A  70
LEU A  77
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 ( 4.1A)
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)
 0.46A 3cldA-3ry9A:
36.0		 3cldA-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)
 1.00A 3cldA-3ry9A:
36.0		 3cldA-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.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASN A 783
GLY A 493
LEU A 357
LEU A 789
THR A 792
 None
 1.50A 3cldA-4fxdA:
undetectable		 3cldA-4fxdA:
16.04
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.
4gfi MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 MET A 282
LEU A 247
LEU A 297
THR A 125
PHE A  18
 None
None
None
ALA  A 402 (-3.5A)
GLU  A 403 (-4.6A)
 1.43A 3cldA-4gfiA:
undetectable		 3cldA-4gfiA:
18.56
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.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 ASN A 112
GLY A 114
LEU A  86
LEU A 138
THR A 144
 None
 1.49A 3cldA-4gqbA:
undetectable		 3cldA-4gqbA:
19.71
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.
4hpp PROBABLE GLUTAMINE
SYNTHETASE

(Pseudomonas
aeruginosa) 		PF00120
(Gln-synt_C)
PF16952
(Gln-synt_N_2) 		5 GLY A 392
LEU A 417
CYH A 405
LEU A 280
CYH A 278
 None
 1.18A 3cldA-4hppA:
undetectable		 3cldA-4hppA:
21.70
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.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ASN A  34
GLY A  10
MET A  43
LEU A  19
LEU A  67
 NAD  A 401 (-4.5A)
NAD  A 401 (-3.4A)
None
None
None
 1.44A 3cldA-4k9dA:
undetectable		 3cldA-4k9dA:
22.13
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) 		5 ASN A 564
GLY A 567
LEU A 627
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
MOF  A 801 (-3.4A)
None
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 1.47A 3cldA-4p6wA:
39.3		 3cldA-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) 		7 ASN A 564
GLY A 568
GLN A 570
MET A 601
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.0A)
None
MOF  A 801 (-2.9A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 1.06A 3cldA-4p6wA:
39.3		 3cldA-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
LEU A 608
ARG A 611
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 ( 4.6A)
MOF  A 801 (-4.2A)
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)
 0.29A 3cldA-4p6wA:
39.3		 3cldA-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) 		6 MET A 560
ASN A 564
LEU A 621
CYH A 736
THR A 739
PHE A 749
 MOF  A 801 (-3.9A)
MOF  A 801 (-3.0A)
None
MOF  A 801 (-3.7A)
MOF  A 801 (-3.9A)
MOF  A 801 (-4.4A)
 1.30A 3cldA-4p6wA:
39.3		 3cldA-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) 		9 ASN A 770
GLN A 776
MET A 807
LEU A 814
ARG A 817
CYH A 849
LEU A 938
CYH A 942
THR A 945
 CV7  A1987 (-3.1A)
CV7  A1987 (-3.0A)
CV7  A1987 ( 3.9A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 4.2A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
 0.62A 3cldA-4udbA:
34.4		 3cldA-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) 		9 ASN A 770
GLN A 776
MET A 807
LEU A 814
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 ( 4.0A)
CV7  A1987 (-3.7A)
CV7  A1987 ( 3.9A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 0.43A 3cldA-4udbA:
34.4		 3cldA-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) 		6 ASN A 770
GLY A 774
GLN A 776
CYH A 942
THR A 945
PHE A 956
 CV7  A1987 (-3.1A)
None
CV7  A1987 (-3.0A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.1A)
CV7  A1987 ( 4.7A)
 1.23A 3cldA-4udbA:
34.4		 3cldA-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.
4yt2 H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ1338

(Methanocaldococcus
jannaschii) 		PF03201
(HMD) 		5 GLY A  20
GLN A  22
LEU A  31
CYH A 127
THR A 128
 None
None
None
PEG  A 404 (-3.6A)
None
 1.20A 3cldA-4yt2A:
undetectable		 3cldA-4yt2A:
21.01
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT F
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT H

(Oryctolagus
cuniculus) 		PF01398
(JAB)
PF01399
(PCI)
PF05470
(eIF-3c_N)
PF13012
(MitMem_reg) 		5 MET H 264
ASN H 261
GLY C 864
LEU F 374
ARG C 872
 None
 1.40A 3cldA-5a5tH:
undetectable		 3cldA-5a5tH:
21.45
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.
5d9a POLYMERASE ACIDIC
PROTEIN

(Influenza C
virus) 		PF00603
(Flu_PA) 		5 GLN A 427
CYH A 483
LEU A 440
CYH A 438
PHE A 629
 None
 1.35A 3cldA-5d9aA:
undetectable		 3cldA-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.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 ASN A 400
GLY A 381
LEU A 367
LEU A 429
PHE A 402
 None
 1.41A 3cldA-5fbzA:
undetectable		 3cldA-5fbzA:
19.12
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.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 5 GLY G 489
GLN G 494
LEU G 456
LEU G 530
THR G 513
 None
 1.30A 3cldA-5h0rG:
undetectable		 3cldA-5h0rG:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC

(Zea mays) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		6 ASN A 127
GLY A 182
MET A 140
LEU A 174
LEU A 162
THR A 155
 None
None
None
None
None
SRM  A 702 (-3.2A)
 1.45A 3cldA-5h8yA:
undetectable		 3cldA-5h8yA:
18.55
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.
5haf DEUBIQUITINASE SSEL

(Salmonella
enterica) 		no annotation 5 GLN A 200
LEU A 197
LEU A 225
CYH A 289
THR A 292
 None
 1.42A 3cldA-5hafA:
undetectable		 3cldA-5hafA:
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 GLY A 185
MET A  87
LEU A 217
LEU A 128
PHE A 484
 None
 1.24A 3cldA-5iuwA:
undetectable		 3cldA-5iuwA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kel C2G4 VARIABLE FAB
DOMAIN HEAVY CHAIN
EBOLA SURFACE
GLYCOPROTEIN, GP1

(Homo sapiens;
Zaire
ebolavirus) 		PF01611
(Filo_glycop)
PF07686
(V-set) 		5 ASN H  96
GLY H  95
LEU H  52
ARG H  71
THR A  42
 None
 1.50A 3cldA-5kelH:
undetectable		 3cldA-5kelH:
18.60
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 10 ASN A 770
GLN A 776
MET A 807
LEU A 814
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 (-4.1A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.8A)
ECV  A1101 ( 4.3A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 0.49A 3cldA-5mwpA:
35.1		 3cldA-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 6 ASN A 770
GLY A 774
GLN A 776
CYH A 942
THR A 945
PHE A 956
 ECV  A1101 (-3.1A)
None
ECV  A1101 (-2.9A)
ECV  A1101 (-4.0A)
ECV  A1101 (-3.2A)
ECV  A1101 ( 4.7A)
 1.18A 3cldA-5mwpA:
35.1		 3cldA-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
LEU A 604
ARG A 607
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 ( 3.8A)
486  A 801 (-3.5A)
486  A 801 ( 3.9A)
 0.75A 3cldA-5uc1A:
26.0		 3cldA-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) 		7 ASN A  33
GLY A  37
GLN A  39
MET A  70
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.0A)
1TA  A 301 ( 3.1A)
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.07A 3cldA-5ufsA:
38.2		 3cldA-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) 		12 MET A  29
ASN A  33
GLY A  36
GLN A  39
MET A  70
LEU A  77
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 ( 3.4A)
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)
 0.41A 3cldA-5ufsA:
38.2		 3cldA-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) 		6 MET A  29
ASN A  33
LEU A  90
CYH A 205
THR A 208
PHE A 218
 1TA  A 301 ( 2.9A)
1TA  A 301 (-3.0A)
None
1TA  A 301 (-3.6A)
1TA  A 301 (-3.0A)
1TA  A 301 (-4.0A)
 1.31A 3cldA-5ufsA:
38.2		 3cldA-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.
5zmy -

(-) 		no annotation 5 ASN A 250
GLY A 249
ARG A  39
THR A 288
PHE A 252
 None
 1.49A 3cldA-5zmyA:
undetectable		 3cldA-5zmyA:
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 5 LEU B  95
CYH B 263
CYH B 107
THR B 110
PHE B 333
 None
 1.24A 3cldA-6evjB:
undetectable		 3cldA-6evjB:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q90 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Chlamydomonas
reinhardtii) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 LEU D  54
LEU D  57
TRP B  80
ALA D  60
MET B  92
 LMG  L 951 (-4.5A)
None
None
None
LMG  L 951 (-3.8A)
 1.50A 3cldA-1q90D:
0.1		 3cldA-1q90D:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 LEU A 176
LEU A 179
ALA A 237
MET A 212
GLN A 211
 None
 1.20A 3cldA-2brtA:
undetectable		 3cldA-2brtA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o6i HD DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF01966
(HD) 		5 LEU A  34
LEU A 108
ALA A  38
GLN A 146
TYR A 145
 None
 1.44A 3cldA-2o6iA:
0.0		 3cldA-2o6iA:
18.74
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) 		6 LEU A  32
LEU A  35
TRP A  69
MET A  73
ALA A  74
MET A 115
 1CA  A 247 (-4.0A)
1CA  A 247 ( 4.4A)
None
1CA  A 247 (-3.6A)
1CA  A 247 ( 4.4A)
1CA  A 247 ( 3.7A)
 0.79A 3cldA-2q3yA:
35.8		 3cldA-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.
3aeh HEMOGLOBIN-BINDING
PROTEASE HBP
AUTOTRANSPORTER

(Escherichia
coli) 		PF03797
(Autotransporter) 		5 LEU A1139
LEU A1122
TRP A1119
ALA A1161
TYR A1227
 None
 1.49A 3cldA-3aehA:
undetectable		 3cldA-3aehA:
22.49
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.
3ct4 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 LEU A 306
LEU A 191
MET A 303
ALA A 265
TYR A 297
 None
 1.50A 3cldA-3ct4A:
0.0		 3cldA-3ct4A:
23.43
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 LEU A 286
TRP A 146
ALA A 426
MET A 417
GLN A 419
 None
None
None
None
HEM  A 500 ( 4.7A)
 1.09A 3cldA-3dbgA:
1.6		 3cldA-3dbgA:
19.57
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) 		5 LEU A  32
LEU A  35
TRP A  69
MET A  73
ALA A  74
 1CA  A 249 (-3.9A)
1CA  A 249 ( 4.4A)
None
1CA  A 249 (-3.9A)
1CA  A 249 ( 4.7A)
 0.59A 3cldA-3ry9A:
36.0		 3cldA-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) 		5 LEU A  32
LEU A  35
TRP A  69
MET A  73
MET A 115
 1CA  A 249 (-3.9A)
1CA  A 249 ( 4.4A)
None
1CA  A 249 (-3.9A)
1CA  A 249 (-3.6A)
 0.73A 3cldA-3ry9A:
36.0		 3cldA-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.
4kvs ALDEHYDE
DECARBONYLASE

(Prochlorococcus
marinus) 		PF11266
(Ald_deCOase) 		5 LEU A 126
LEU A 121
MET A 236
ALA A 237
MET A 193
 None
 1.38A 3cldA-4kvsA:
undetectable		 3cldA-4kvsA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n2p PROTEIN ARCHEASE

(Pyrococcus
horikoshii) 		PF01951
(Archease) 		5 LEU A  67
LEU A  70
ALA A  29
MET A 125
GLN A 138
 None
 1.25A 3cldA-4n2pA:
undetectable		 3cldA-4n2pA:
18.92
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) 		9 LEU A 563
LEU A 566
TRP A 600
MET A 604
ALA A 605
MET A 639
GLN A 642
MET A 646
TYR A 735
 MOF  A 801 (-3.9A)
MOF  A 801 ( 4.6A)
None
None
MOF  A 801 ( 4.8A)
MOF  A 801 (-3.7A)
None
MOF  A 801 (-4.4A)
MOF  A 801 (-4.8A)
 0.58A 3cldA-4p6wA:
39.3		 3cldA-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.
4r7o GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE,
PUTATIVE

(Bacillus
anthracis) 		PF03009
(GDPD) 		5 LEU A 166
LEU A 169
ALA A  83
GLN A 188
TYR A 150
 None
None
None
GOL  A 405 (-2.9A)
None
 1.46A 3cldA-4r7oA:
undetectable		 3cldA-4r7oA:
18.03
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		5 LEU A 258
LEU A 239
ALA A 276
GLN A  99
TYR A  74
 None
 1.29A 3cldA-4wd2A:
undetectable		 3cldA-4wd2A:
23.12
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 6 LEU A 559
LEU A 562
MET A 600
ALA A 601
MET A 635
MET A 642
 486  A 801 (-4.7A)
486  A 801 ( 4.8A)
None
CPS  A 803 ( 3.9A)
486  A 801 ( 4.7A)
486  A 801 ( 3.8A)
 0.83A 3cldA-5uc1A:
26.1		 3cldA-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 6 LEU A 562
TRP A 596
MET A 600
ALA A 601
MET A 635
MET A 642
 486  A 801 ( 4.8A)
None
None
CPS  A 803 ( 3.9A)
486  A 801 ( 4.7A)
486  A 801 ( 3.8A)
 0.88A 3cldA-5uc1A:
26.1		 3cldA-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 LEU A  32
LEU A  35
MET A  73
ALA A  74
MET A 108
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-4.2A)
1TA  A 301 ( 3.7A)
1TA  A 301 ( 3.0A)
1TA  A 301 ( 2.8A)
 0.74A 3cldA-5ufsA:
38.2		 3cldA-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) 		6 LEU A  32
LEU A  35
MET A  73
MET A 108
GLN A 111
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 ( 3.6A)
1TA  A 301 (-4.2A)
1TA  A 301 ( 3.0A)
None
1TA  A 301 ( 2.8A)
 0.84A 3cldA-5ufsA:
38.2		 3cldA-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) 		6 LEU A  32
LEU A  35
TRP A  69
MET A  73
ALA A  74
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 ( 3.6A)
None
1TA  A 301 (-4.2A)
1TA  A 301 ( 3.7A)
1TA  A 301 ( 2.8A)
 0.36A 3cldA-5ufsA:
38.2		 3cldA-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) 		6 LEU A  32
LEU A  35
TRP A  69
MET A  73
GLN A 111
MET A 115
 1TA  A 301 (-3.5A)
1TA  A 301 ( 3.6A)
None
1TA  A 301 (-4.2A)
None
1TA  A 301 ( 2.8A)
 0.65A 3cldA-5ufsA:
38.2		 3cldA-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.
5w95 CONSERVED MEMBRANE
PROTEIN OF
UNCHARACTERISED
FUNCTION

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 205
ALA A 323
MET A 157
GLN A  76
TYR A 122
 None
 1.45A 3cldA-5w95A:
undetectable		 3cldA-5w95A:
16.34