SIMILAR PATTERNS OF AMINO ACIDS FOR 3MBG_B_ACTB600

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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		4 HIS A 689
ALA A 486
GLU A 702
HIS A 613
 CU  A 801 (-3.2A)
None
None
None
 1.37A 3mbgB-1qafA:
undetectable
3mbgC-1qafA:
undetectable		 3mbgB-1qafA:
9.70
3mbgC-1qafA:
9.70
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 HIS A 174
ALA A 298
GLU A 280
HIS A 169
 ZN  A1001 (-3.2A)
None
ZN  A1002 (-2.2A)
ZN  A1002 (-3.2A)
 1.39A 3mbgB-2cfzA:
1.2
3mbgC-2cfzA:
1.2		 3mbgB-2cfzA:
10.18
3mbgC-2cfzA:
10.18
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.
2gjn HYPOTHETICAL PROTEIN
PA1024

(Pseudomonas
aeruginosa) 		PF03060
(NMO) 		4 ARG A 307
ALA A  38
GLU A  15
HIS A  16
 None
 1.06A 3mbgB-2gjnA:
0.0
3mbgC-2gjnA:
0.0		 3mbgB-2gjnA:
17.07
3mbgC-2gjnA:
17.07
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.
2o1q PUTATIVE
ACETYL/PROPIONYL-COA
CARBOXYLASE, ALPHA
SUBUNIT

(Methylibium
petroleiphilum) 		no annotation 4 HIS A  61
ALA A  99
GLU A  95
HIS A 101
 ZN  A 145 ( 3.3A)
None
None
ZN  A 145 ( 2.8A)
 1.41A 3mbgB-2o1qA:
undetectable
3mbgC-2o1qA:
undetectable		 3mbgB-2o1qA:
21.30
3mbgC-2o1qA:
21.30
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.
2r7e COAGULATION FACTOR
VIII

(Homo sapiens) 		PF00754
(F5_F8_type_C)
PF07731
(Cu-oxidase_2) 		4 HIS B2005
ALA B2008
GLU B1914
HIS B1919
 CU  B2404 (-3.5A)
None
None
None
 1.18A 3mbgB-2r7eB:
undetectable
3mbgC-2r7eB:
undetectable		 3mbgB-2r7eB:
10.46
3mbgC-2r7eB:
10.46
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.
2vow SURFACE-ASSOCIATED
PROTEIN

(Methylococcus
capsulatus) 		no annotation 4 ARG A 153
ALA A 277
GLU A 301
HIS A 164
 None
 1.40A 3mbgB-2vowA:
undetectable
3mbgC-2vowA:
undetectable		 3mbgB-2vowA:
16.32
3mbgC-2vowA:
16.32
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 HIS A 184
ALA A 309
GLU A 291
HIS A 179
 ZN  A 700 (-3.2A)
None
ZN  A 701 (-2.2A)
ZN  A 701 (-3.3A)
 1.34A 3mbgB-2yheA:
0.0
3mbgC-2yheA:
0.0		 3mbgB-2yheA:
10.33
3mbgC-2yheA:
10.33
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		4 HIS A  61
ALA A  24
GLU A  21
HIS A  57
 None
 1.18A 3mbgB-3aalA:
0.0
3mbgC-3aalA:
0.0		 3mbgB-3aalA:
19.03
3mbgC-3aalA:
19.03
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.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 ARG A 324
ALA A 320
GLU A 317
HIS A 383
 None
 1.38A 3mbgB-3afeA:
0.0
3mbgC-3afeA:
0.0		 3mbgB-3afeA:
12.72
3mbgC-3afeA:
12.72
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		4 ARG A 122
HIS A 125
GLU A 343
HIS A 342
 None
 1.43A 3mbgB-3fdgA:
0.0
3mbgC-3fdgA:
0.0		 3mbgB-3fdgA:
16.90
3mbgC-3fdgA:
16.90
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 ARG A  99
HIS A 110
ALA A  54
GLU A 215
 None
 1.32A 3mbgB-3p8tA:
0.0
3mbgC-3p8tA:
0.0		 3mbgB-3p8tA:
16.78
3mbgC-3p8tA:
16.78
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		4 ARG A 499
HIS A  84
ALA A 458
GLU A 520
 None
 1.46A 3mbgB-3q3qA:
0.0
3mbgC-3q3qA:
0.0		 3mbgB-3q3qA:
12.75
3mbgC-3q3qA:
12.75
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.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycobacterium
avium) 		PF02668
(TauD) 		4 ARG A 268
HIS A 253
ALA A  95
HIS A  99
 None
FE  A 299 (-3.3A)
None
FE  A 299 (-3.3A)
 1.28A 3mbgB-3r1jA:
undetectable
3mbgC-3r1jA:
undetectable		 3mbgB-3r1jA:
17.59
3mbgC-3r1jA:
17.59
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.
4nur PSDSA

(Pseudomonas sp.
S9) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 HIS A 197
ALA A 321
GLU A 303
HIS A 192
 ZN  A 701 (-3.3A)
None
None
None
 1.38A 3mbgB-4nurA:
0.0
3mbgC-4nurA:
0.0		 3mbgB-4nurA:
10.74
3mbgC-4nurA:
10.74
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.
4x9t UNCHARACTERIZED
PROTEIN UPF0065

(Polaromonas sp.
JS666) 		PF03401
(TctC) 		4 HIS A 304
ALA A 301
GLU A 112
HIS A 111
 None
 1.24A 3mbgB-4x9tA:
undetectable
3mbgC-4x9tA:
undetectable		 3mbgB-4x9tA:
15.94
3mbgC-4x9tA:
15.94
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF12862
(ANAPC5) 		4 ARG O 280
HIS O 276
ALA O 251
HIS O 254
 None
 1.27A 3mbgB-5a31O:
2.2
3mbgC-5a31O:
2.2		 3mbgB-5a31O:
10.33
3mbgC-5a31O:
10.33
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 ARG A1262
ALA A1206
GLU A1175
HIS A1195
 None
 1.07A 3mbgB-5dotA:
undetectable
3mbgC-5dotA:
undetectable		 3mbgB-5dotA:
6.82
3mbgC-5dotA:
6.82
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.
5i01 PHOSPHOHEPTOSE
ISOMERASE

(Neisseria
gonorrhoeae) 		PF13580
(SIS_2) 		4 ARG A   7
HIS A  11
ALA A  10
GLU A  14
 None
 1.43A 3mbgB-5i01A:
undetectable
3mbgC-5i01A:
undetectable		 3mbgB-5i01A:
19.12
3mbgC-5i01A:
19.12
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.
5ofk GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		4 ARG A  17
ALA A 134
GLU A 243
HIS A 245
 None
 0.87A 3mbgB-5ofkA:
undetectable
3mbgC-5ofkA:
undetectable		 3mbgB-5ofkA:
15.90
3mbgC-5ofkA:
15.90
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.
5u5i HTPA REDUCTASE

(Selaginella
moellendorffii) 		no annotation 4 HIS A 244
ALA A 225
GLU A 169
HIS A 227
 None
 1.23A 3mbgB-5u5iA:
undetectable
3mbgC-5u5iA:
undetectable		 3mbgB-5u5iA:
undetectable
3mbgC-5u5iA:
undetectable