SIMILAR PATTERNS OF AMINO ACIDS FOR 6F3N_B_ADNB505_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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 GLN A 362
THR A 505
HIS A 337
LEU A 166
 None
None
FAD  A 600 ( 4.6A)
HEM  A 601 (-4.1A)
 1.35A 6f3nB-1d4eA:
2.6		 6f3nB-1d4eA:
22.82
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.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 GLN A 232
THR A 236
HIS A 566
LEU A 606
 None
 1.43A 6f3nB-1dlcA:
undetectable		 6f3nB-1dlcA:
22.88
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.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 GLN A 319
THR A 334
HIS A 380
LEU A 403
 None
P16  A   2 (-3.7A)
None
None
 1.28A 6f3nB-1opkA:
undetectable		 6f3nB-1opkA:
23.78
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.
1r18 PROTEIN-L-ISOASPARTA
TE(D-ASPARTATE)-O-ME
THYLTRANSFERASE

(Drosophila
melanogaster) 		PF01135
(PCMT) 		4 GLN A 198
THR A 211
HIS A  75
LEU A  72
 None
 1.43A 6f3nB-1r18A:
5.0		 6f3nB-1r18A:
20.82
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.
1tht THIOESTERASE

(Vibrio harveyi) 		PF02273
(Acyl_transf_2) 		4 GLN A 101
THR A 105
HIS A  10
LEU A  12
 None
 1.49A 6f3nB-1thtA:
7.5		 6f3nB-1thtA:
22.29
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.
2fa1 PROBABLE
TRANSCRIPTIONAL
REGULATOR PHNF

(Escherichia
coli) 		PF07702
(UTRA) 		4 GLN A 183
THR A 184
HIS A 168
LEU A 179
 None
 1.49A 6f3nB-2fa1A:
undetectable		 6f3nB-2fa1A:
16.74
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.
2hpw GREEN FLUORESCENT
PROTEIN

(Clytia gregaria) 		PF01353
(GFP) 		4 GLN A  89
THR A  88
HIS A 200
LEU A 202
 None
 1.19A 6f3nB-2hpwA:
undetectable		 6f3nB-2hpwA:
20.72
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		4 GLN A 380
THR A 378
HIS A 164
LEU A 109
 None
 0.99A 6f3nB-2qzuA:
undetectable		 6f3nB-2qzuA:
22.20
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.
3b2y METALLOPEPTIDASE
CONTAINING
CO-CATALYTIC
METALLOACTIVE SITE

(Shewanella
denitrificans) 		PF04952
(AstE_AspA) 		4 GLN A 186
THR A 187
HIS A 269
LEU A 240
 None
 1.37A 6f3nB-3b2yA:
undetectable		 6f3nB-3b2yA:
19.29
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
HIS A 363
LEU A 407
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 ( 3.7A)
NAD  A 550 (-4.2A)
 0.62A 6f3nB-3ce6A:
52.3		 6f3nB-3ce6A:
49.24
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.
3eo7 PUTATIVE
NITROREDUCTASE

(Trichormus
variabilis) 		PF00881
(Nitroreductase) 		4 GLN A 403
THR A 312
HIS A 436
LEU A 462
 None
 1.35A 6f3nB-3eo7A:
undetectable		 6f3nB-3eo7A:
21.42
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
HIS A 300
LEU A 343
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 ( 4.0A)
NAD  A 439 ( 4.0A)
 0.59A 6f3nB-3g1uA:
55.0		 6f3nB-3g1uA:
55.02
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
HIS A 344
LEU A 385
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 ( 3.5A)
NAD  A 601 ( 4.1A)
 0.51A 6f3nB-3glqA:
54.1		 6f3nB-3glqA:
52.65
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
HIS A 300
LEU A 343
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-4.0A)
 0.32A 6f3nB-3h9uA:
56.8		 6f3nB-3h9uA:
55.19
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.
3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Yersinia
pseudotuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 GLN A 329
THR A 130
HIS A 153
LEU A 238
 None
 1.33A 6f3nB-3iieA:
4.7		 6f3nB-3iieA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 GLN A  59
THR A  60
HIS A 337
LEU A 378
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 ( 3.6A)
NAD  A 550 (-4.3A)
 0.51A 6f3nB-3n58A:
54.5		 6f3nB-3n58A:
52.36
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
HIS A 350
LEU A 395
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-4.2A)
 0.34A 6f3nB-3oneA:
51.7		 6f3nB-3oneA:
47.99
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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		4 GLN A 363
THR A 359
HIS A 460
LEU A 492
 GOL  A 802 (-3.3A)
None
NAD  A 700 (-3.8A)
NAD  A 700 ( 4.7A)
 1.24A 6f3nB-3q9oA:
undetectable		 6f3nB-3q9oA:
20.97
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.
3qbo PHOSPHOSERINE
AMINOTRANSFERASE

(Yersinia pestis) 		PF00266
(Aminotran_5) 		4 GLN A 111
THR A 115
HIS A 218
LEU A  85
 None
 1.45A 6f3nB-3qboA:
undetectable		 6f3nB-3qboA:
22.63
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		4 GLN A 175
THR A 174
HIS A 185
LEU A 181
 None
 1.50A 6f3nB-3zgbA:
undetectable		 6f3nB-3zgbA:
19.60
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
HIS A 342
LEU A 383
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
NAD  A 503 ( 3.9A)
 0.14A 6f3nB-4lvcA:
53.6		 6f3nB-4lvcA:
52.05
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.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 4 GLN B 321
THR B 296
HIS B 280
LEU B 238
 None
 1.43A 6f3nB-4lwoB:
3.6		 6f3nB-4lwoB:
22.75
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.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		4 GLN A 274
THR A 273
HIS A 197
LEU A 195
 None
 1.30A 6f3nB-4rk2A:
undetectable		 6f3nB-4rk2A:
22.73
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.
4wct FRUCTOSYL
AMINE:OXYGEN
OXIDOREDUCTASE

(Aspergillus
fumigatus) 		PF01266
(DAO) 		4 GLN A  93
THR A  88
HIS A  27
LEU A  26
 None
 1.45A 6f3nB-4wctA:
2.4		 6f3nB-4wctA:
22.33
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.
4wss HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 GLN A  15
THR A  14
HIS A 439
LEU A 436
 None
 1.29A 6f3nB-4wssA:
undetectable		 6f3nB-4wssA:
22.38
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.
4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLN A 523
THR A 539
HIS A 586
LEU A 577
 None
4CV  A 801 (-2.8A)
None
None
 1.35A 6f3nB-4yffA:
undetectable		 6f3nB-4yffA:
20.71
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.
4yjf D-AMINO-ACID OXIDASE

(Sus scrofa) 		PF01266
(DAO) 		4 GLN B 146
THR B  40
HIS B 319
LEU B 139
 SO4  B 403 (-4.2A)
None
None
None
 1.47A 6f3nB-4yjfB:
3.9		 6f3nB-4yjfB:
22.06
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.
4yyb HA1

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 GLN A  15
THR A  14
HIS A   8
LEU A 320
 NAG  A 601 ( 3.1A)
None
None
None
 1.42A 6f3nB-4yybA:
undetectable		 6f3nB-4yybA:
19.67
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.
5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLN A 530
THR A 529
HIS A 574
LEU A 567
 None
5XJ  A 801 (-3.4A)
None
None
 1.50A 6f3nB-5fd2A:
undetectable		 6f3nB-5fd2A:
22.29
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.
5swk DE NOVO PROTEIN
BASED ON THE
INHIBITOR
AMOEBIASIN-1
E3 UBIQUITIN-PROTEIN
LIGASE MDM2

(Entamoeba
histolytica;
Homo sapiens) 		no annotation 4 GLN A  72
THR C  85
HIS A  96
LEU C  94
 None
 0.99A 6f3nB-5swkA:
undetectable		 6f3nB-5swkA:
14.38
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
HIS A 306
LEU A 349
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 ( 3.7A)
NAD  A 500 ( 4.3A)
 0.64A 6f3nB-6aphA:
58.4		 6f3nB-6aphA:
56.46
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.
6bbo APOBEC3H

(Homo sapiens) 		no annotation 4 GLN A  33
THR A  43
HIS A 101
LEU A 102
 None
 1.42A 6f3nB-6bboA:
undetectable		 6f3nB-6bboA:
10.20
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
HIS B 323
LEU B 373
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ZN  B 505 (-3.2A)
NAD  B 501 ( 3.9A)
 0.04A 6f3nB-6f3mB:
65.4		 6f3nB-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
HIS A 304
LEU A 347
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 ( 3.6A)
NAD  A 502 (-3.9A)
 0.16A 6f3nB-6gbnA:
57.7		 6f3nB-6gbnA:
undetectable