SIMILAR PATTERNS OF AMINO ACIDS FOR 3CLD_A_GW6A1_2

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.
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