SIMILAR PATTERNS OF AMINO ACIDS FOR 4ACA_C_DXCC1480

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.
1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE

(Homo sapiens) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 LYS A  10
GLU A 158
ILE A  12
SER A  13
 None
 1.47A 4acaC-1a4iA:
2.0		 4acaC-1a4iA:
21.63
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.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		4 LYS A  41
GLU A  15
ILE A  11
SER A  43
 None
 1.05A 4acaC-1h76A:
0.0		 4acaC-1h76A:
20.58
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 LYS A 755
GLU A 874
ILE A 768
SER A 757
 None
 0.93A 4acaC-1hn0A:
0.0		 4acaC-1hn0A:
19.38
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.
1spb SUBTILISIN BPN'
PROSEGMENT

(Bacillus
amyloliquefaciens) 		PF05922
(Inhibitor_I9) 		4 LYS P   9
GLU P  69
ILE P  11
SER P  48
 None
 1.01A 4acaC-1spbP:
undetectable		 4acaC-1spbP:
9.96
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.
1zs3 LACTOCOCCUS LACTIS
MG1363 DPSA

(Lactococcus
lactis) 		no annotation 4 LYS A  98
GLU A 102
ILE A  40
SER A  36
 None
 1.42A 4acaC-1zs3A:
undetectable		 4acaC-1zs3A:
14.92
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.
2pyb NEUTROPHIL
ACTIVATING PROTEIN

(Borreliella
burgdorferi) 		PF00210
(Ferritin) 		4 LYS A  88
GLU A  93
ILE A  29
SER A  26
 None
 1.30A 4acaC-2pybA:
undetectable		 4acaC-2pybA:
15.50
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.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		4 LYS A  20
GLU A  54
ILE A  27
SER A  26
 None
 1.22A 4acaC-3v2gA:
6.5		 4acaC-3v2gA:
21.91
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.
3w25 GLYCOSIDE HYDROLASE
FAMILY 10

(Thermoanaerobacterium
saccharolyticum) 		PF00331
(Glyco_hydro_10) 		4 LYS A 239
GLU A 282
ILE A 237
SER A 236
 None
 1.49A 4acaC-3w25A:
3.1		 4acaC-3w25A:
20.08
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.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 LYS A 266
GLU A 308
ILE A 277
SER A 264
 None
 1.44A 4acaC-4epaA:
0.0		 4acaC-4epaA:
21.43
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.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 LYS A 563
GLU A 285
ILE A 245
SER A 244
 None
 1.41A 4acaC-4lq1A:
2.8		 4acaC-4lq1A:
21.71
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.
4r6h SOLUTE BINDING
PROTEIN MSME

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		4 LYS A 106
GLU A 286
ILE A 104
SER A 103
 None
 1.46A 4acaC-4r6hA:
1.0		 4acaC-4r6hA:
24.76
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.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		4 LYS A 216
GLU A 416
ILE A 218
SER A 203
 None
 1.38A 4acaC-5bqnA:
undetectable		 4acaC-5bqnA:
20.38
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.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		4 LYS A 221
GLU A 229
ILE A 270
SER A 271
 CL  A 617 (-3.4A)
None
None
None
 1.26A 4acaC-5dqfA:
undetectable		 4acaC-5dqfA:
22.55
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.
5dx9 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Cryptococcus
neoformans) 		PF02358
(Trehalose_PPase) 		4 LYS A 134
GLU A 115
ILE A 137
SER A 136
 None
 1.40A 4acaC-5dx9A:
2.1		 4acaC-5dx9A:
21.84
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.
5g5t ARGONAUTE

(Methanocaldococcus
jannaschii) 		PF02171
(Piwi) 		4 LYS A 582
GLU A 550
ILE A 584
SER A 585
 None
 1.28A 4acaC-5g5tA:
4.9		 4acaC-5g5tA:
23.57
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.
5i67 PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Mycobacterium
tuberculosis) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		4 LYS A 261
GLU A 291
ILE A 256
SER A 257
 None
 1.24A 4acaC-5i67A:
undetectable		 4acaC-5i67A:
20.68
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.
5j6o PUTATIVE POLYKETIDE
SYNTHASE

(Brevibacillus
brevis) 		PF14765
(PS-DH) 		4 LYS A2100
GLU A2141
ILE A2075
SER A2076
 None
 1.23A 4acaC-5j6oA:
undetectable		 4acaC-5j6oA:
19.53
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.
5ywo 2F2 HEAVY CHAIN

(Mus musculus) 		no annotation 4 LYS N  13
GLU N  89
ILE N  88
SER N 117
 None
 1.18A 4acaC-5ywoN:
undetectable		 4acaC-5ywoN:
undetectable
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.
6az6 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		no annotation 4 LYS A 152
GLU A 102
ILE A 105
SER A 154
 None
 1.49A 4acaC-6az6A:
undetectable		 4acaC-6az6A:
undetectable
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.
6cxh PARTICULATE METHANE
MONOOXYGENASE, C
SUBUNIT

(Methylomicrobium
alcaliphilum) 		no annotation 4 LYS C  90
GLU C  98
ILE C  94
SER C  93
 None
 1.40A 4acaC-6cxhC:
undetectable		 4acaC-6cxhC:
undetectable