SIMILAR PATTERNS OF AMINO ACIDS FOR 3N6D_B_H4BB600_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		4 VAL A 104
ARG A 365
TRP A 447
PRO A 451
 MPD  A 605 (-4.7A)
MPD  A 605 ( 4.7A)
MPD  A 605 ( 4.0A)
None
 0.45A 3n6dA-1m9qA:
34.9
3n6dB-1m9qA:
60.3		 3n6dA-1m9qA:
94.93
3n6dB-1m9qA:
94.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0j DNA REPLICATION
PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF01057
(Parvo_NS1) 		4 PHE A 366
VAL A 418
TRP A 377
PRO A 365
 None
 1.48A 3n6dA-1u0jA:
0.0
3n6dB-1u0jA:
0.0		 3n6dA-1u0jA:
20.73
3n6dB-1u0jA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		4 TRP A 133
PHE A 169
VAL A 187
PRO A 137
 None
 1.30A 3n6dA-1xvyA:
0.4
3n6dB-1xvyA:
0.0		 3n6dA-1xvyA:
20.35
3n6dB-1xvyA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yf9 UBIQUITIN CARRIER
PROTEIN 4

(Leishmania
major) 		PF00179
(UQ_con) 		4 TRP A  57
PHE A  44
VAL A  85
PRO A  47
 None
 1.29A 3n6dA-1yf9A:
0.0
3n6dB-1yf9A:
0.0		 3n6dA-1yf9A:
17.97
3n6dB-1yf9A:
17.97
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.
1yf9 UBIQUITIN CARRIER
PROTEIN 4

(Leishmania
major) 		PF00179
(UQ_con) 		4 TRP A  57
PHE A  44
VAL A  92
PRO A  47
 None
 1.37A 3n6dA-1yf9A:
0.0
3n6dB-1yf9A:
0.0		 3n6dA-1yf9A:
17.97
3n6dB-1yf9A:
17.97
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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP) 		4 TRP L 239
PHE L 354
TRP L 235
PRO L 192
 None
 1.07A 3n6dA-2bfuL:
undetectable
3n6dB-2bfuL:
0.0		 3n6dA-2bfuL:
20.95
3n6dB-2bfuL:
20.95
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 PHE A 232
VAL A 202
ARG A  34
PRO A  49
 None
 1.46A 3n6dA-2bwgA:
0.0
3n6dB-2bwgA:
0.0		 3n6dA-2bwgA:
23.01
3n6dB-2bwgA:
23.01
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS) 		4 VAL A 488
ARG A 339
TRP A 487
PRO A 346
 None
 1.20A 3n6dA-2incA:
0.0
3n6dB-2incA:
0.0		 3n6dA-2incA:
20.73
3n6dB-2incA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2le1 UNCHARACTERIZED
PROTEIN

(Thermobifida
fusca) 		PF10604
(Polyketide_cyc2) 		4 PHE A  53
VAL A 129
ARG A  51
PRO A  37
 None
 1.36A 3n6dA-2le1A:
0.0
3n6dB-2le1A:
0.0		 3n6dA-2le1A:
16.94
3n6dB-2le1A:
16.94
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.
2onu UBIQUITIN-CONJUGATIN
G ENZYME, PUTATIVE

(Plasmodium
falciparum) 		PF00179
(UQ_con) 		4 TRP A  48
PHE A  35
VAL A  76
PRO A  38
 None
 1.29A 3n6dA-2onuA:
undetectable
3n6dB-2onuA:
0.0		 3n6dA-2onuA:
16.22
3n6dB-2onuA:
16.22
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.
2z5d UBIQUITIN-CONJUGATIN
G ENZYME E2 H

(Homo sapiens) 		PF00179
(UQ_con) 		4 TRP A  70
PHE A  57
VAL A 105
PRO A  60
 None
 1.34A 3n6dA-2z5dA:
0.0
3n6dB-2z5dA:
undetectable		 3n6dA-2z5dA:
15.80
3n6dB-2z5dA:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dby UNCHARACTERIZED
PROTEIN

(Bacillus cereus) 		PF11155
(DUF2935) 		4 PHE A  12
VAL A 114
TRP A  17
PRO A 259
 None
 1.45A 3n6dA-3dbyA:
undetectable
3n6dB-3dbyA:
undetectable		 3n6dA-3dbyA:
19.30
3n6dB-3dbyA:
19.30
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.
3ecf NTF2-LIKE PROTEIN

(Trichormus
variabilis) 		PF16247
(DUF4904) 		4 PHE A  51
VAL A  59
TRP A 123
PRO A  36
 UNL  A 200 ( 4.9A)
None
None
None
 1.20A 3n6dA-3ecfA:
undetectable
3n6dB-3ecfA:
undetectable		 3n6dA-3ecfA:
14.58
3n6dB-3ecfA:
14.58
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.
3ilr HEPARIN LYASE I

(Bacteroides
thetaiotaomicron) 		PF14099
(Polysacc_lyase) 		4 TRP A 301
VAL A 297
TRP A 150
PRO A 227
 None
None
None
SGN  A 377 (-4.2A)
 1.20A 3n6dA-3ilrA:
undetectable
3n6dB-3ilrA:
undetectable		 3n6dA-3ilrA:
23.58
3n6dB-3ilrA:
23.58
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.
4nxi UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01323
(DSBA) 		4 PHE A  13
VAL A  32
TRP A  28
PRO A 154
 None
 1.33A 3n6dA-4nxiA:
undetectable
3n6dB-4nxiA:
undetectable		 3n6dA-4nxiA:
18.06
3n6dB-4nxiA:
18.06
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.
4o89 RNA 3'-TERMINAL
PHOSPHATE CYCLASE

(Pyrococcus
horikoshii) 		PF01137
(RTC)
PF05189
(RTC_insert) 		4 TRP A 171
PHE A 291
VAL A 168
PRO A 290
 None
 1.33A 3n6dA-4o89A:
2.8
3n6dB-4o89A:
undetectable		 3n6dA-4o89A:
20.93
3n6dB-4o89A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozv ALGINATE LYASE

(Pseudomonas
aeruginosa) 		PF05426
(Alginate_lyase) 		4 TRP A 208
PHE A 270
VAL A 357
PRO A  32
 None
 1.45A 3n6dA-4ozvA:
undetectable
3n6dB-4ozvA:
undetectable		 3n6dA-4ozvA:
20.96
3n6dB-4ozvA:
20.96
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.
5i2t PERIODIC TRYPTOPHAN
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 TRP A 122
PHE A  93
VAL A 102
PRO A 135
 None
 1.39A 3n6dA-5i2tA:
undetectable
3n6dB-5i2tA:
undetectable		 3n6dA-5i2tA:
18.94
3n6dB-5i2tA:
18.94
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.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 TRP A 347
PHE A 290
VAL A 341
TRP A 323
 None
 1.15A 3n6dA-5jseA:
undetectable
3n6dB-5jseA:
undetectable		 3n6dA-5jseA:
19.94
3n6dB-5jseA:
19.94
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.
5v7i SERINE
HYDROXYMETHYLTRANSFE
RASE, MITOCHONDRIAL

(Homo sapiens) 		no annotation 4 TRP A 134
PHE A 268
VAL A 136
PRO A 267
 PEG  A 603 (-4.5A)
None
None
None
 1.44A 3n6dA-5v7iA:
undetectable
3n6dB-5v7iA:
undetectable		 3n6dA-5v7iA:
23.16
3n6dB-5v7iA:
23.16