SIMILAR PATTERNS OF AMINO ACIDS FOR 3MBG_C_ACTC900_0

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.
1e6b GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		4 ALA A 172
HIS A  21
HIS A 176
PRO A 173
 None
 1.47A 3mbgC-1e6bA:
0.0		 3mbgC-1e6bA:
19.56
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.
1jm1 RIESKE IRON-SULFUR
PROTEIN SOXF

(Sulfolobus
acidocaldarius) 		PF00355
(Rieske) 		4 ALA A 190
HIS A 142
HIS A 173
PRO A 189
 None
FES  A 501 (-3.2A)
FES  A 501 (-3.2A)
None
 1.37A 3mbgC-1jm1A:
undetectable		 3mbgC-1jm1A:
17.70
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.
1k1b B-CELL LYMPHOMA
3-ENCODED PROTEIN

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		4 ALA A 262
HIS A 239
HIS A 274
PRO A 271
 None
 1.46A 3mbgC-1k1bA:
undetectable		 3mbgC-1k1bA:
17.77
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.
1q90 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT

(Chlamydomonas
reinhardtii) 		PF00355
(Rieske) 		4 ALA C 170
HIS C 136
HIS C 155
PRO C 169
 None
FES  C 210 (-3.0A)
FES  C 210 ( 3.0A)
None
 1.39A 3mbgC-1q90C:
undetectable		 3mbgC-1q90C:
17.65
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.
1rfs RIESKE PROTEIN

(Spinacia
oleracea) 		PF00355
(Rieske) 		4 ALA A 143
HIS A 109
HIS A 128
PRO A 142
 None
FES  A 200 ( 3.3A)
FES  A 200 ( 3.3A)
FES  A 200 ( 4.6A)
 1.25A 3mbgC-1rfsA:
undetectable		 3mbgC-1rfsA:
20.92
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.
1rie RIESKE IRON-SULFUR
PROTEIN

(Bos taurus) 		PF00355
(Rieske) 		4 ALA A 176
HIS A 141
HIS A 161
PRO A 175
 None
FES  A 200 ( 3.2A)
FES  A 200 ( 3.2A)
FES  A 200 ( 4.9A)
 1.37A 3mbgC-1rieA:
undetectable		 3mbgC-1rieA:
20.53
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.
1rxq YFIT

(Bacillus
subtilis) 		PF12867
(DinB_2) 		4 ALA A 166
HIS A 167
HIS A 163
PRO A   9
 None
 1.13A 3mbgC-1rxqA:
2.1		 3mbgC-1rxqA:
19.89
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.
2num UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
sphaeroides) 		PF00355
(Rieske) 		4 ALA A 167
HIS A 131
HIS A 152
PRO A 166
 None
FES  A 200 (-3.2A)
FES  A 200 (-3.2A)
FES  A 200 ( 4.7A)
 1.32A 3mbgC-2numA:
undetectable		 3mbgC-2numA:
18.30
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.
2qjp UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Rhodobacter
sphaeroides) 		PF00355
(Rieske)
PF10399
(UCR_Fe-S_N) 		4 ALA C 167
HIS C 131
HIS C 152
PRO C 166
 None
FES  C 200 (-3.2A)
FES  C 200 ( 3.2A)
None
 1.38A 3mbgC-2qjpC:
undetectable		 3mbgC-2qjpC:
20.83
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.
2yiu UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT

(Paracoccus
denitrificans) 		PF00355
(Rieske)
PF10399
(UCR_Fe-S_N) 		4 ALA C 170
HIS C 134
HIS C 155
PRO C 169
 None
FES  C 500 (-3.0A)
FES  C 500 ( 3.0A)
FES  C 500 ( 4.9A)
 1.40A 3mbgC-2yiuC:
undetectable		 3mbgC-2yiuC:
23.08
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.
2zt9 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT 1

(Nostoc sp. PCC
7120) 		PF00355
(Rieske)
PF08802
(CytB6-F_Fe-S) 		4 ALA D 144
HIS D 110
HIS D 129
PRO D 143
 FES  D 200 ( 4.8A)
FES  D 200 (-3.2A)
FES  D 200 (-3.0A)
FES  D 200 ( 4.5A)
 1.25A 3mbgC-2zt9D:
undetectable		 3mbgC-2zt9D:
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.
3azc CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT

(Thermosynechococcus
elongatus) 		PF00355
(Rieske) 		4 ALA A 144
HIS A 110
HIS A 129
PRO A 143
 None
FES  A 201 (-3.1A)
FES  A 201 (-3.1A)
FES  A 201 ( 4.7A)
 1.28A 3mbgC-3azcA:
undetectable		 3mbgC-3azcA:
23.84
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.
3b4r PUTATIVE ZINC
METALLOPROTEASE
MJ0392

(Methanocaldococcus
jannaschii) 		PF02163
(Peptidase_M50) 		4 ALA A  97
HIS A  58
HIS A  54
PRO A  99
 None
ZN  A 225 (-3.4A)
ZN  A 225 (-3.3A)
None
 1.48A 3mbgC-3b4rA:
1.1		 3mbgC-3b4rA:
17.33
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.
3cx5 CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00355
(Rieske)
PF02921
(UCR_TM) 		4 ALA E 196
HIS E 161
HIS E 181
PRO E 195
 None
FES  E4004 (-3.2A)
FES  E4004 ( 3.2A)
FES  E4004 ( 4.7A)
 1.36A 3mbgC-3cx5E:
undetectable		 3mbgC-3cx5E:
19.15
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.
3dqy TOLUENE
1,2-DIOXYGENASE
SYSTEM FERREDOXIN
SUBUNIT

(Pseudomonas
putida) 		PF00355
(Rieske) 		4 ALA A  80
HIS A  44
HIS A  64
PRO A  79
 FES  A 107 ( 4.9A)
FES  A 107 (-3.2A)
FES  A 107 (-3.1A)
FES  A 107 ( 4.6A)
 1.22A 3mbgC-3dqyA:
undetectable		 3mbgC-3dqyA:
18.31
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 ALA A  49
HIS A 125
HIS A 342
PRO A   6
 None
 1.08A 3mbgC-3fdgA:
0.0		 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.
3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E

(Mycobacterium
tuberculosis) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M) 		4 ALA A  28
HIS A  94
HIS A  90
PRO A  29
 None
MPD  A 340 (-4.7A)
None
None
 1.42A 3mbgC-3fsxA:
undetectable		 3mbgC-3fsxA:
16.72
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.
3h1i CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL

(Gallus gallus) 		PF00355
(Rieske)
PF02921
(UCR_TM) 		4 ALA E 176
HIS E 141
HIS E 161
PRO E 175
 None
FES  E 501 (-3.1A)
FES  E 501 ( 3.1A)
None
 1.32A 3mbgC-3h1iE:
undetectable		 3mbgC-3h1iE:
18.27
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.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 185
HIS A 182
HIS A 217
PRO A 218
 None
 1.22A 3mbgC-3ss6A:
0.4		 3mbgC-3ss6A:
15.49
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.
4pv1 CYTOCHROME B6-F
COMPLEX IRON-SULFUR
SUBUNIT

(Mastigocladus
laminosus) 		PF00355
(Rieske)
PF08802
(CytB6-F_Fe-S) 		4 ALA D 144
HIS D 110
HIS D 129
PRO D 143
 None
FES  D 201 (-3.0A)
FES  D 201 (-2.7A)
None
 1.32A 3mbgC-4pv1D:
undetectable		 3mbgC-4pv1D:
19.70
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 192
HIS A 189
HIS A 224
PRO A 225
 None
 1.17A 3mbgC-5bz4A:
0.7		 3mbgC-5bz4A:
17.05
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.
5cxm CYTOCHROME B6/F
COMPLEX IRON-SULFUR
SUBUNIT

(Synechocystis
sp. PCC 6803) 		PF00355
(Rieske) 		4 ALA A 113
HIS A  79
HIS A  98
PRO A 112
 None
FES  A 201 ( 3.1A)
NI  A 203 ( 3.2A)
FES  A 201 (-4.2A)
 1.20A 3mbgC-5cxmA:
undetectable		 3mbgC-5cxmA:
20.31
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.
5gvh ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[FMN]

(Thermotoga
maritima) 		PF03060
(NMO) 		4 ALA A 231
HIS A 146
HIS A 229
PRO A 230
 None
 1.38A 3mbgC-5gvhA:
0.0		 3mbgC-5gvhA:
17.88
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.
5okd CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL

(Bos taurus) 		no annotation 4 ALA E 176
HIS E 141
HIS E 161
PRO E 175
 FES  E 201 ( 4.9A)
FES  E 201 (-3.8A)
FES  E 201 (-3.4A)
FES  E 201 ( 4.6A)
 1.31A 3mbgC-5okdE:
undetectable		 3mbgC-5okdE:
undetectable