SIMILAR PATTERNS OF AMINO ACIDS FOR 3MBG_C_ACTC600

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 GLU A 702
HIS A 613
HIS A 689
ALA A 486
 None
None
CU  A 801 (-3.2A)
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 GLU A 280
HIS A 169
HIS A 174
ALA A 298
 ZN  A1002 (-2.2A)
ZN  A1002 (-3.2A)
ZN  A1001 (-3.2A)
None
 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 GLU A  15
HIS A  16
ARG A 307
ALA A  38
 None
 1.05A 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 GLU A  95
HIS A 101
HIS A  61
ALA A  99
 None
ZN  A 145 ( 2.8A)
ZN  A 145 ( 3.3A)
None
 1.43A 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 GLU B1914
HIS B1919
HIS B2005
ALA B2008
 None
None
CU  B2404 (-3.5A)
None
 1.19A 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 GLU A 301
HIS A 164
ARG A 153
ALA A 277
 None
 1.42A 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.
2yb4 AMIDOHYDROLASE

(Chromobacterium
violaceum) 		PF02811
(PHP) 		4 GLU A  64
HIS A   7
ARG A 194
ALA A 190
 None
 1.36A 3mbgB-2yb4A:
0.0
3mbgC-2yb4A:
0.0		 3mbgB-2yb4A:
15.97
3mbgC-2yb4A:
15.97
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 GLU A 291
HIS A 179
HIS A 184
ALA A 309
 ZN  A 701 (-2.2A)
ZN  A 701 (-3.3A)
ZN  A 700 (-3.2A)
None
 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 GLU A  21
HIS A  57
HIS A  61
ALA A  24
 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 GLU A 317
HIS A 383
ARG A 324
ALA A 320
 None
 1.36A 3mbgB-3afeA:
0.1
3mbgC-3afeA:
0.1		 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.
3ct7 D-ALLULOSE-6-PHOSPHA
TE 3-EPIMERASE

(Escherichia
coli) 		PF00834
(Ribul_P_3_epim) 		4 GLU A 101
HIS A 105
ARG A  78
ALA A  77
 None
 1.26A 3mbgB-3ct7A:
undetectable
3mbgC-3ct7A:
undetectable		 3mbgB-3ct7A:
19.48
3mbgC-3ct7A:
19.48
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 GLU A 343
HIS A 342
ARG A 122
HIS A 125
 None
 1.40A 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 GLU A 215
ARG A  99
HIS A 110
ALA A  54
 None
 1.29A 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.
3pco PHENYLALANYL-TRNA
SYNTHETASE, BETA
CHAIN

(Escherichia
coli) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		4 GLU B 361
ARG B 348
HIS B 353
ALA B 347
 None
 1.15A 3mbgB-3pcoB:
0.0
3mbgC-3pcoB:
0.0		 3mbgB-3pcoB:
9.94
3mbgC-3pcoB:
9.94
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.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		4 GLU A 520
ARG A 499
HIS A  84
ALA A 458
 None
 1.45A 3mbgB-3q3qA:
undetectable
3mbgC-3q3qA:
undetectable		 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 HIS A  99
ARG A 268
HIS A 253
ALA A  95
 FE  A 299 (-3.3A)
None
FE  A 299 (-3.3A)
None
 1.27A 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 GLU A 303
HIS A 192
HIS A 197
ALA A 321
 None
None
ZN  A 701 (-3.3A)
None
 1.38A 3mbgB-4nurA:
undetectable
3mbgC-4nurA:
undetectable		 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 GLU A 112
HIS A 111
HIS A 304
ALA A 301
 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 HIS O 254
ARG O 280
HIS O 276
ALA O 251
 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 GLU A1175
HIS A1195
ARG A1262
ALA A1206
 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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		4 GLU A 248
HIS A 281
ARG A 381
ALA A 384
 None
 1.49A 3mbgB-5esoA:
undetectable
3mbgC-5esoA:
undetectable		 3mbgB-5esoA:
14.03
3mbgC-5esoA:
14.03
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.
5ofk GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		4 GLU A 243
HIS A 245
ARG A  17
ALA A 134
 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 GLU A 169
HIS A 227
HIS A 244
ALA A 225
 None
 1.23A 3mbgB-5u5iA:
undetectable
3mbgC-5u5iA:
undetectable		 3mbgB-5u5iA:
undetectable
3mbgC-5u5iA:
undetectable