SIMILAR PATTERNS OF AMINO ACIDS FOR 4KLA_A_CHDA501_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.
1bxd PROTEIN (OSMOLARITY
SENSOR PROTEIN
(ENVZ))

(Escherichia
coli) 		PF02518
(HATPase_c) 		4 ARG A 366
SER A 336
VAL A 330
MET A 296
 None
 1.30A 4klaA-1bxdA:
0.0		 4klaA-1bxdA:
18.77
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.
1fad PROTEIN (FADD
PROTEIN)

(Mus musculus) 		PF00531
(Death) 		4 ARG A 169
SER A 144
VAL A 108
TRP A 112
 None
 1.42A 4klaA-1fadA:
0.0		 4klaA-1fadA:
13.84
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.
1pp1 P40 NUCLEOPROTEIN

(Borna disease
virus) 		PF06407
(BDV_P40) 		4 ARG X  97
SER X 205
VAL X  95
TRP X 202
 None
 1.12A 4klaA-1pp1X:
0.0		 4klaA-1pp1X:
20.67
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.
1ygu LEUKOCYTE COMMON
ANTIGEN

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 MET A 714
ARG A 867
VAL A 826
MET A 725
 None
 1.48A 4klaA-1yguA:
0.0		 4klaA-1yguA:
19.68
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.
2a8b RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE R

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 MET A 479
ARG A 627
VAL A 586
MET A 490
 None
 1.47A 4klaA-2a8bA:
0.6		 4klaA-2a8bA:
22.87
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.
2bv5 TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 5

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 MET A 362
ARG A 511
VAL A 470
MET A 373
 None
 1.47A 4klaA-2bv5A:
0.0		 4klaA-2bv5A:
20.97
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.
2dkx SAM POINTED
DOMAIN-CONTAINING
ETS TRANSCRIPTION
FACTOR

(Homo sapiens) 		PF02198
(SAM_PNT) 		4 ARG A  71
VAL A  32
MET A  25
TRP A  27
 None
 1.39A 4klaA-2dkxA:
undetectable		 4klaA-2dkxA:
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 ARG A 677
SER A 580
VAL A 422
TRP A 509
 FUL  A 900 (-3.6A)
None
None
None
 1.50A 4klaA-2eaeA:
0.0		 4klaA-2eaeA:
16.48
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 MET A 797
ARG A 949
VAL A 907
MET A 808
 None
 1.49A 4klaA-2i1yA:
0.0		 4klaA-2i1yA:
22.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		4 MET A  99
LYS A 118
SER A 268
MET A 308
 CHD  A   2 (-4.0A)
None
CHD  A   2 ( 4.4A)
None
 1.16A 4klaA-3aqiA:
59.2		 4klaA-3aqiA:
99.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		5 MET A  99
SER A 268
VAL A 305
MET A 308
TRP A 310
 CHD  A   2 (-4.0A)
CHD  A   2 ( 4.4A)
CHD  A   1 ( 4.9A)
None
CHD  A   2 (-4.7A)
 0.29A 4klaA-3aqiA:
59.2		 4klaA-3aqiA:
99.16
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.
3ico 6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacterium
tuberculosis) 		PF01182
(Glucosamine_iso) 		4 ARG A  33
SER A   4
VAL A 142
TRP A 198
 None
 1.47A 4klaA-3icoA:
undetectable		 4klaA-3icoA:
20.87
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.
3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Francisella
tularensis) 		PF00342
(PGI) 		4 ARG A  92
SER A 236
VAL A 110
TRP A 255
 None
 1.39A 4klaA-3q88A:
undetectable		 4klaA-3q88A:
21.14
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 MET A3227
ARG A3329
SER A3232
MET A3323
 None
 1.48A 4klaA-4kc5A:
undetectable		 4klaA-4kc5A:
17.78
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.
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		4 SER A  84
VAL A  77
MET A  80
TRP A  83
 None
 1.32A 4klaA-4xnvA:
undetectable		 4klaA-4xnvA:
23.62
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.
4yoo RETINOBLASTOMA-LIKE
PROTEIN
1,RETINOBLASTOMA-LIK
E PROTEIN 1

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		4 ARG A 793
SER A 572
VAL A 795
TRP A 568
 None
 1.15A 4klaA-4yooA:
undetectable		 4klaA-4yooA:
19.51
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.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		4 ARG A 531
SER A 910
VAL A 918
TRP A 914
 None
None
None
GOL  A1005 ( 4.8A)
 1.48A 4klaA-4zmhA:
undetectable		 4klaA-4zmhA:
16.67
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		4 ARG A 373
SER A 300
VAL A 380
MET A 403
 None
 1.42A 4klaA-5m8jA:
undetectable		 4klaA-5m8jA:
21.44
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.
5w70 L-GLUTAMINE:2-DEOXY-
SCYLLO-INOSOSE
AMINOTRANSFERASE

(Streptomyces
ribosidificus) 		PF01041
(DegT_DnrJ_EryC1) 		4 ARG A 360
SER A 197
VAL A 103
TRP A 102
 None
9YM  A 501 (-2.5A)
None
9YM  A 501 (-3.6A)
 1.49A 4klaA-5w70A:
undetectable		 4klaA-5w70A:
20.00