SIMILAR PATTERNS OF AMINO ACIDS FOR 6BEH_A_RPTA601_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
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 GLU A 476
SER A 471
VAL A 496
PHE A 431
PHE A 492
 None
 1.12A 6behA-1gpmA:
0.0
6behB-1gpmA:
0.0
6behC-1gpmA:
0.0		 6behA-1gpmA:
22.10
6behB-1gpmA:
22.10
6behC-1gpmA:
22.10
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.
2hal HEPATITIS A PROTEASE
3C

(Hepatovirus A) 		PF00548
(Peptidase_C3) 		5 GLN A  15
PHE A  96
VAL A 204
PHE A  16
PHE A 209
 None
 1.25A 6behA-2halA:
0.5
6behB-2halA:
0.0
6behC-2halA:
0.0		 6behA-2halA:
18.17
6behB-2halA:
18.17
6behC-2halA:
18.17
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.
2o6f 34 KDA MEMBRANE
ANTIGEN

(Treponema
pallidum) 		PF10634
(Iron_transport) 		5 GLN A  61
GLU A  30
PHE A  49
PHE A 114
PHE A 178
 None
 1.41A 6behA-2o6fA:
1.9
6behB-2o6fA:
0.2
6behC-2o6fA:
2.1		 6behA-2o6fA:
14.83
6behB-2o6fA:
14.83
6behC-2o6fA:
14.83
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		5 PRO A 139
PHE A 203
VAL A 219
PHE A 232
PHE A 212
 None
 1.49A 6behA-3bxoA:
undetectable
6behB-3bxoA:
0.0
6behC-3bxoA:
0.0		 6behA-3bxoA:
19.27
6behB-3bxoA:
19.27
6behC-3bxoA:
19.27
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.
3pjl 34 KDA MEMBRANE
ANTIGEN

(Treponema
pallidum) 		PF10634
(Iron_transport) 		5 GLN A  61
GLU A  30
PHE A  49
PHE A 114
PHE A 178
 None
EDO  A 189 (-4.4A)
EDO  A 189 ( 4.3A)
None
None
 1.34A 6behA-3pjlA:
1.8
6behB-3pjlA:
1.0
6behC-3pjlA:
2.1		 6behA-3pjlA:
14.29
6behB-3pjlA:
14.29
6behC-3pjlA:
14.29
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.
3rh7 HYPOTHETICAL
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01613
(Flavin_Reduct) 		5 PHE A  37
VAL A  99
PHE A  42
PHE A  96
PHE A 111
 None
 1.36A 6behA-3rh7A:
0.0
6behB-3rh7A:
0.0
6behC-3rh7A:
0.0		 6behA-3rh7A:
18.98
6behB-3rh7A:
18.98
6behC-3rh7A:
18.98
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.
3tbf GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Francisella
tularensis) 		PF01380
(SIS) 		5 GLN A 261
SER A 461
VAL A 520
PHE A 407
PHE A 472
 None
 1.29A 6behA-3tbfA:
0.0
6behB-3tbfA:
0.0
6behC-3tbfA:
0.0		 6behA-3tbfA:
19.79
6behB-3tbfA:
19.79
6behC-3tbfA:
19.79
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.
3zto NUCLEOSIDE
DIPHOSPHATE KINASE

(Aquifex
aeolicus) 		PF00334
(NDK) 		5 GLU A 140
PHE A 136
SER A 122
PHE A  50
PHE A  42
 None
 1.45A 6behA-3ztoA:
0.2
6behB-3ztoA:
0.0
6behC-3ztoA:
0.9		 6behA-3ztoA:
15.46
6behB-3ztoA:
15.46
6behC-3ztoA:
15.46
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.
4fu0 D-ALANINE--D-ALANINE
LIGASE 7

(Enterococcus
faecalis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 PRO A 317
SER A 134
VAL A 127
PHE A 295
PHE A 102
 SO4  A 402 (-4.5A)
None
None
None
None
 1.45A 6behA-4fu0A:
0.0
6behB-4fu0A:
0.0
6behC-4fu0A:
0.0		 6behA-4fu0A:
21.78
6behB-4fu0A:
21.78
6behC-4fu0A:
21.78
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.
4p56 PUTATIVE
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 PRO A 193
SER A 213
VAL A  41
PHE A  99
PHE A  89
 None
RMN  A 401 (-2.5A)
None
PGE  A 402 ( 4.5A)
None
 1.03A 6behA-4p56A:
undetectable
6behB-4p56A:
undetectable
6behC-4p56A:
undetectable		 6behA-4p56A:
20.95
6behB-4p56A:
20.95
6behC-4p56A:
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		5 PHE A 279
SER A 246
VAL A 145
PHE A 211
PHE A 120
 None
 1.31A 6behA-5esrA:
undetectable
6behB-5esrA:
undetectable
6behC-5esrA:
undetectable		 6behA-5esrA:
18.80
6behB-5esrA:
18.80
6behC-5esrA:
18.80
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.
5ey2 GTP-SENSING
TRANSCRIPTIONAL
PLEIOTROPIC
REPRESSOR CODY

(Bacillus cereus) 		PF06018
(CodY)
PF08222
(HTH_CodY) 		5 GLU A 183
SER A 232
VAL A 244
PHE A 191
PHE A 249
 None
 1.33A 6behA-5ey2A:
undetectable
6behB-5ey2A:
undetectable
6behC-5ey2A:
undetectable		 6behA-5ey2A:
17.32
6behB-5ey2A:
17.32
6behC-5ey2A:
17.32
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.
5f4o CAPSID PROTEIN VP1

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 GLN A 455
PRO A 406
VAL A 355
PHE A 362
PHE A 286
 None
 1.48A 6behA-5f4oA:
undetectable
6behB-5f4oA:
undetectable
6behC-5f4oA:
undetectable		 6behA-5f4oA:
19.68
6behB-5f4oA:
19.68
6behC-5f4oA:
19.68
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 GLN A 331
PRO A  12
VAL A  39
PHE A  30
PHE A  28
 None
 1.39A 6behA-5h1kA:
undetectable
6behB-5h1kA:
undetectable
6behC-5h1kA:
undetectable		 6behA-5h1kA:
20.77
6behB-5h1kA:
20.77
6behC-5h1kA:
20.77
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.
5u68 MPE8

(Homo sapiens) 		PF07686
(V-set) 		5 PRO E 128
SER E  69
VAL E  56
PHE E 130
PHE E 264
 None
 1.18A 6behA-5u68E:
2.7
6behB-5u68E:
undetectable
6behC-5u68E:
1.8		 6behA-5u68E:
19.21
6behB-5u68E:
19.21
6behC-5u68E:
19.21
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.
6b82 CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1

(Danio rerio) 		no annotation 5 GLU A 316
PRO A 497
VAL A 502
PHE A 208
PHE A 500
 None
 1.36A 6behA-6b82A:
undetectable
6behB-6b82A:
undetectable
6behC-6b82A:
undetectable		 6behA-6b82A:
8.40
6behB-6b82A:
8.40
6behC-6b82A:
8.40