SIMILAR PATTERNS OF AMINO ACIDS FOR 3DEU_A_SALA301_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.
1lme PEPTIDE DEFORMYLASE

(Thermotoga
maritima) 		PF01327
(Pep_deformylase) 		4 ARG A 142
ILE A 139
VAL A 137
HIS A 133
 None
OCS  A  87 ( 4.6A)
None
OCS  A  87 ( 4.0A)
 1.04A 3deuA-1lmeA:
undetectable		 3deuA-1lmeA:
24.87
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.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 ARG A 652
ILE A 655
TRP A 779
HIS A 782
 None
 1.12A 3deuA-1nl3A:
1.0		 3deuA-1nl3A:
10.95
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.
1vbr ENDO-1,4-BETA-XYLANA
SE B

(Thermotoga
maritima) 		PF00331
(Glyco_hydro_10) 		4 ARG A 573
ILE A 610
TRP A 609
HIS A 627
 None
 1.26A 3deuA-1vbrA:
undetectable		 3deuA-1vbrA:
16.36
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 ARG A 235
ILE A 236
VAL A 124
HIS A 125
 None
 1.46A 3deuA-1vrqA:
1.4		 3deuA-1vrqA:
10.90
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.
1ydm HYPOTHETICAL PROTEIN
YQGN

(Bacillus
subtilis) 		PF01812
(5-FTHF_cyc-lig) 		4 ARG A 132
ILE A 171
VAL A 173
HIS A 174
 SO4  A 301 (-2.6A)
None
None
None
 1.33A 3deuA-1ydmA:
undetectable		 3deuA-1ydmA:
19.71
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.
2ap9 ACETYLGLUTAMATE
KINASE

(Mycobacterium
tuberculosis) 		PF00696
(AA_kinase) 		4 ARG A 142
ILE A 193
VAL A 156
HIS A 191
 None
 1.42A 3deuA-2ap9A:
0.0		 3deuA-2ap9A:
20.39
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.
2fex CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF01965
(DJ-1_PfpI) 		4 ARG A   3
ILE A   4
VAL A  33
HIS A  34
 None
 1.28A 3deuA-2fexA:
undetectable		 3deuA-2fexA:
20.57
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 TRP A 127
ARG A 123
ILE A 124
HIS A 120
 None
None
NAD  A1001 (-4.0A)
EDO  A1019 ( 4.1A)
 1.46A 3deuA-2g8yA:
undetectable		 3deuA-2g8yA:
19.69
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 ARG A 236
ILE A 237
VAL A 125
HIS A 126
 None
 1.44A 3deuA-2gahA:
0.8		 3deuA-2gahA:
11.38
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.
2gid MITOCHONDRIAL
RNA-BINDING PROTEIN
1

(Trypanosoma
brucei) 		PF09387
(MRP) 		4 ARG B  83
ILE B  84
VAL B 134
HIS B 132
 None
 0.98A 3deuA-2gidB:
0.6		 3deuA-2gidB:
19.39
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.
2i6j SULFOLOBUS
SOLFATARICUS PROTEIN
TYROSINE PHOSPHATASE

(Sulfolobus
solfataricus) 		PF00102
(Y_phosphatase) 		4 TRP A  45
ILE A  41
VAL A  97
HIS A  95
 None
None
PO4  A2902 ( 4.4A)
None
 1.16A 3deuA-2i6jA:
undetectable		 3deuA-2i6jA:
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.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		4 TRP A  73
ILE A 111
VAL A  68
HIS A  69
 None
 1.48A 3deuA-2pblA:
undetectable		 3deuA-2pblA:
24.05
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.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 ILE A  54
TRP A 158
VAL A 127
HIS A 130
 None
None
ACT  A1384 ( 4.7A)
None
 1.47A 3deuA-2vatA:
undetectable		 3deuA-2vatA:
15.45
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.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 ARG A 656
ILE A 659
TRP A 775
HIS A 778
 None
 0.95A 3deuA-2vdaA:
0.2		 3deuA-2vdaA:
11.43
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.
3ek9 SPRY
DOMAIN-CONTAINING
SOCS BOX PROTEIN 2

(Mus musculus) 		PF00622
(SPRY) 		4 TRP A  91
ILE A 214
TRP A  48
VAL A  78
 None
 1.25A 3deuA-3ek9A:
undetectable		 3deuA-3ek9A:
19.46
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		4 TRP A 255
ARG A 279
VAL A 205
HIS A 278
 None
 1.38A 3deuA-3gdbA:
undetectable		 3deuA-3gdbA:
11.57
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF4

(Schizosaccharomyces
pombe) 		PF02184
(HAT) 		4 ARG R  67
ILE R  63
TRP R  73
VAL R  99
 None
 1.44A 3deuA-3jb9R:
undetectable		 3deuA-3jb9R:
18.53
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.
3qo0 FAB FRAGMENT OF
IMMUNOGLOBULIN G1
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG B  74
ILE B  72
VAL B  34
HIS B  35
 None
 1.25A 3deuA-3qo0B:
undetectable		 3deuA-3qo0B:
18.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpt TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		5 TRP A  16
ARG A  17
ILE A  20
TRP A  34
VAL A  35
 None
 0.88A 3deuA-3qptA:
17.3		 3deuA-3qptA:
94.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpt TRANSCRIPTIONAL
REGULATOR SLYA

(Salmonella
enterica) 		PF01047
(MarR) 		5 TRP A  16
ILE A  20
TRP A  34
VAL A  35
HIS A  38
 None
 0.71A 3deuA-3qptA:
17.3		 3deuA-3qptA:
94.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aij TRANSCRIPTIONAL
REGULATOR SLYA

(Yersinia
pseudotuberculosis) 		PF01047
(MarR) 		4 TRP A  16
ARG A  17
ILE A  20
TRP A  34
 None
 0.63A 3deuA-4aijA:
18.1		 3deuA-4aijA:
63.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aij TRANSCRIPTIONAL
REGULATOR SLYA

(Yersinia
pseudotuberculosis) 		PF01047
(MarR) 		4 TRP A  16
ILE A  20
TRP A  34
VAL A  35
 None
 0.52A 3deuA-4aijA:
18.1		 3deuA-4aijA:
63.01
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Drosophila
melanogaster) 		PF07034
(ORC3_N) 		4 ILE C 659
TRP C 664
VAL C 648
HIS C 652
 None
 1.18A 3deuA-4xgcC:
5.4		 3deuA-4xgcC:
13.55
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.
5axh DEXTRANASE

(Thermoanaerobacter
pseudethanolicus) 		PF13199
(Glyco_hydro_66) 		4 ARG A 536
ILE A 375
TRP A 535
HIS A 439
 None
 1.44A 3deuA-5axhA:
undetectable		 3deuA-5axhA:
13.27
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TRP A 387
ARG A 516
TRP A 529
HIS A 591
 None
CA  A 805 ( 4.6A)
None
None
 1.45A 3deuA-5f7sA:
undetectable		 3deuA-5f7sA:
13.78
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.
5fsg MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HANTAVIRUS
NUCLEOPROTEIN

(Hantaan
orthohantavirus) 		PF00846
(Hanta_nucleocap)
PF13416
(SBP_bac_8) 		4 TRP A 239
ARG A 235
ILE A 236
TRP A 232
 None
 1.12A 3deuA-5fsgA:
undetectable		 3deuA-5fsgA:
12.46
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.
5j4r WELO5

(Hapalosiphon
welwitschii) 		no annotation 4 ARG A 260
ILE A 161
VAL A 163
HIS A 259
 None
None
None
NI  A 302 ( 3.3A)
 1.42A 3deuA-5j4rA:
undetectable		 3deuA-5j4rA:
16.55
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.
5nmi CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN,
MITOCHONDRIAL

(Bos taurus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B)
PF02167
(Cytochrom_C1) 		4 ARG D 201
ILE C  78
TRP C  77
HIS D 200
 None
None
None
PEE  D 502 (-3.5A)
 1.14A 3deuA-5nmiD:
undetectable		 3deuA-5nmiD:
22.18
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 4 TRP A 372
ARG A 500
TRP A 513
HIS A 575
 GLC  A 822 ( 4.3A)
GLC  A 819 ( 2.9A)
GLC  A 822 ( 4.6A)
GLC  A 822 ( 4.0A)
 1.42A 3deuA-5x3jA:
undetectable		 3deuA-5x3jA:
24.10
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 4 TRP A 191
ILE A 194
TRP A 339
VAL A 340
 None
 1.50A 3deuA-5ydjA:
undetectable		 3deuA-5ydjA:
22.07
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A 116
TRP A 107
VAL A 217
HIS A 220
 None
 1.32A 3deuA-6ax8A:
0.9		 3deuA-6ax8A:
16.88