SIMILAR PATTERNS OF AMINO ACIDS FOR 3N58_D_ADND500_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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		4 GLN A 493
THR A 607
GLU A 491
HIS A 575
 None
 1.43A 3n58D-1fkmA:
undetectable		 3n58D-1fkmA:
17.83
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.
2f2l PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX
PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-LC
ISOFORM LCA

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		4 GLN A 404
THR A 405
GLU X 480
HIS X 473
 None
MLD  X 201 (-4.1A)
None
MLD  X 201 (-3.9A)
 1.46A 3n58D-2f2lA:
undetectable		 3n58D-2f2lA:
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.
2kd1 DNA
INTEGRATION/RECOMBIN
ATION/INVERTION
PROTEIN

(Bacillus cereus) 		PF14659
(Phage_int_SAM_3) 		4 GLN A  26
THR A  27
GLU A 112
HIS A 115
 None
 1.43A 3n58D-2kd1A:
undetectable		 3n58D-2kd1A:
12.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  73
THR A  74
GLU A 218
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
ADN  A 500 ( 3.7A)
 0.85A 3n58D-3ce6A:
61.9		 3n58D-3ce6A:
60.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  56
THR A  57
GLU A 155
HIS A 300
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
ADN  A 438 ( 4.0A)
 0.19A 3n58D-3g1uA:
58.3		 3n58D-3g1uA:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  66
THR A  67
GLU A 199
HIS A 344
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
RAB  A 602 ( 3.5A)
 0.53A 3n58D-3glqA:
62.2		 3n58D-3glqA:
67.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  56
THR A  57
GLU A 155
HIS A 300
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
None
 0.14A 3n58D-3h9uA:
58.2		 3n58D-3h9uA:
61.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  66
THR A  67
GLU A 205
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
None
 0.11A 3n58D-3oneA:
57.8		 3n58D-3oneA:
60.12
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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		4 GLN L   4
THR L   3
GLU L 391
HIS L 351
 None
None
LI  L 604 ( 4.3A)
None
 1.14A 3n58D-3uscL:
undetectable		 3n58D-3uscL:
21.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  62
THR A  63
GLU A 197
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.7A)
 0.13A 3n58D-4lvcA:
66.1		 3n58D-4lvcA:
69.73
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri) 		PF02433
(FixO)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		4 GLN C  98
THR C  94
GLU C 100
HIS B  85
 None
 1.34A 3n58D-5djqC:
undetectable		 3n58D-5djqC:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  62
THR A  63
GLU A 161
HIS A 306
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
ADN  A 501 ( 3.7A)
 0.86A 3n58D-6aphA:
59.4		 3n58D-6aphA:
59.04
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.
6f3m -

(-) 		no annotation 4 GLN B  65
THR B  66
GLU B 164
HIS B 323
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
ZN  B 505 (-3.2A)
 0.18A 3n58D-6f3mB:
54.2		 3n58D-6f3mB:
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.
6gbn -

(-) 		no annotation 4 GLN A  60
THR A  61
GLU A 159
HIS A 304
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
ADN  A 501 ( 3.6A)
 0.18A 3n58D-6gbnA:
59.2		 3n58D-6gbnA:
undetectable