SIMILAR PATTERNS OF AMINO ACIDS FOR 5K50_C_ACTC1403_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.
2a1b CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN
CCMK HOMOLOG 2

(Synechocystis
sp. PCC 6803) 		PF00936
(BMC) 		4 MET A  23
SER A  56
VAL A  53
GLY A   6
 None
 1.31A 5k50C-2a1bA:
0.0		 5k50C-2a1bA:
17.24
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		4 MET A 561
SER A  45
VAL A  46
GLY A  40
 None
 1.29A 5k50C-2qzpA:
0.9		 5k50C-2qzpA:
19.22
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.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		4 MET A 325
SER A 326
VAL A 323
GLY A 321
 None
 1.37A 5k50C-2r26A:
0.0		 5k50C-2r26A:
20.45
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.
3cim CARBON
DIOXIDE-CONCENTRATIN
G MECHANISM PROTEIN
CCMK HOMOLOG 2

(Synechocystis
sp.) 		PF00936
(BMC) 		4 MET A  23
SER A  56
VAL A  53
GLY A   6
 None
 1.22A 5k50C-3cimA:
0.0		 5k50C-3cimA:
15.62
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.
3ok8 BRAIN-SPECIFIC
ANGIOGENESIS
INHIBITOR
1-ASSOCIATED PROTEIN
2-LIKE PROTEIN 2

(Mus musculus) 		PF08397
(IMD) 		4 MET A  78
SER A  79
VAL A  76
GLY A  59
 None
 1.35A 5k50C-3ok8A:
undetectable		 5k50C-3ok8A:
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 MET B  35
SER B  34
VAL B  95
GLY B  97
 None
 1.31A 5k50C-3pdiB:
1.5		 5k50C-3pdiB:
20.96
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.
3qz1 STEROID
21-HYDROXYLASE

(Bos taurus) 		PF00067
(p450) 		4 MET A 282
SER A 283
VAL A 280
GLY A 278
 None
 1.04A 5k50C-3qz1A:
undetectable		 5k50C-3qz1A:
21.41
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.
3sft CHEMOTAXIS RESPONSE
REGULATOR
PROTEIN-GLUTAMATE
METHYLESTERASE

(Thermotoga
maritima) 		PF01339
(CheB_methylest) 		4 MET A 317
SER A 320
VAL A 321
GLY A 290
 None
 1.18A 5k50C-3sftA:
3.7		 5k50C-3sftA:
23.10
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		4 MET A 361
SER A 362
VAL A 363
GLY A 597
 None
 1.48A 5k50C-3tlmA:
0.8		 5k50C-3tlmA:
15.89
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.
4bmr RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus cereus) 		PF00268
(Ribonuc_red_sm) 		4 MET A 154
SER A 157
VAL A 158
GLY A 203
 None
 1.09A 5k50C-4bmrA:
undetectable		 5k50C-4bmrA:
21.64
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.
4ctd OUTER MEMBRANE
PROTEIN G

(Escherichia
coli) 		PF09381
(Porin_OmpG) 		4 MET A  13
SER A  33
VAL A  34
GLY A  11
 CL  A1273 (-3.9A)
CL  A1280 ( 4.5A)
C8E  A1277 ( 4.6A)
C8E  A1277 ( 4.0A)
 1.39A 5k50C-4ctdA:
0.0		 5k50C-4ctdA:
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.
4dr0 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Bacillus
subtilis) 		PF00268
(Ribonuc_red_sm) 		4 MET A 157
SER A 160
VAL A 161
GLY A 206
 None
 1.06A 5k50C-4dr0A:
undetectable		 5k50C-4dr0A:
21.77
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.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 MET A 357
SER A 356
VAL A 337
GLY A 306
 U  C   2 ( 3.8A)
None
None
None
 1.16A 5k50C-5h1kA:
undetectable		 5k50C-5h1kA:
18.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5k50 L-THREONINE
3-DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 4 MET A1081
SER A1082
VAL A1083
GLY A1184
 NAD  A1401 (-3.7A)
ACT  A1403 (-4.3A)
ACT  A1403 (-3.9A)
ACT  A1403 (-3.4A)
 0.66A 5k50C-5k50A:
54.2		 5k50C-5k50A:
100.00