SIMILAR PATTERNS OF AMINO ACIDS FOR 4NSB_A_AINA402

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 THR A  29
TRP A  31
ARG A  35
TRP A 352
LEU A 356
 None
NAG  A  -2 (-4.2A)
None
NAG  A  -1 (-3.5A)
NAG  A  -2 (-4.9A)
 0.53A 4nsbA-1hjvA:
58.5		 4nsbA-1hjvA:
82.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 THR A  29
TRP A  31
ARG A  35
TRP A 358
LEU A 362
 None
NAA  A1386 (-4.0A)
None
AMI  A1388 (-3.5A)
None
 0.45A 4nsbA-1hkkA:
55.4		 4nsbA-1hkkA:
50.82
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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		4 THR A 304
ARG A  92
TRP A  79
LEU A  89
 HEM  A 800 (-3.4A)
HEM  A 800 (-4.2A)
None
HEM  A 800 (-4.0A)
 1.39A 4nsbA-1itkA:
undetectable		 4nsbA-1itkA:
18.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 THR A   8
TRP A  10
ARG A  14
TRP A 331
LEU A 335
 None
 0.34A 4nsbA-1ljyA:
60.4		 4nsbA-1ljyA:
95.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		4 THR A   8
TRP A  78
TRP A 331
LEU A 335
 None
 0.86A 4nsbA-1ljyA:
60.4		 4nsbA-1ljyA:
95.01
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		4 THR A  31
ARG A 115
TRP A  84
LEU A  29
 None
 1.49A 4nsbA-1nrkA:
undetectable		 4nsbA-1nrkA:
22.22
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 THR A 221
TRP A 254
TRP A 202
LEU A 206
 None
 1.48A 4nsbA-1o94A:
6.4		 4nsbA-1o94A:
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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		4 THR A 645
TRP A 687
TRP A 637
LEU A 674
 None
 1.36A 4nsbA-1w7cA:
undetectable		 4nsbA-1w7cA:
19.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 THR A  29
TRP A  31
ARG A  35
TRP A 360
LEU A 364
 None
 0.45A 4nsbA-1wb0A:
55.1		 4nsbA-1wb0A:
44.60
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.
1xl8 PEROXISOMAL
CARNITINE
O-OCTANOYLTRANSFERAS
E

(Mus musculus) 		PF00755
(Carn_acyltransf) 		4 THR A 241
TRP A 248
ARG A 245
TRP A 306
 None
 1.29A 4nsbA-1xl8A:
undetectable		 4nsbA-1xl8A:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ybu ACIDIC MAMMALIAN
CHITINASE

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 THR A  29
TRP A  31
ARG A  35
TRP A 360
LEU A 364
 GOL  A1397 ( 4.8A)
CX9  A1398 ( 3.4A)
GOL  A1397 (-4.2A)
CX9  A1398 ( 3.3A)
None
 0.43A 4nsbA-2ybuA:
55.3		 4nsbA-2ybuA:
49.21
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 THR A 625
TRP A 668
TRP A 617
LEU A 654
 None
 1.44A 4nsbA-3higA:
undetectable		 4nsbA-3higA:
18.22
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.
3jd5 28S RIBOSOMAL
PROTEIN S34,
MITOCHONDRIAL

(Bos taurus) 		PF00338
(Ribosomal_S10) 		4 TRP j 139
TRP j  85
TRP j  95
LEU j  97
 None
 1.27A 4nsbA-3jd5j:
undetectable		 4nsbA-3jd5j:
18.08
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.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		4 THR A 358
ARG A 137
TRP A 124
LEU A 134
 HEM  A1500 (-3.3A)
HEM  A1500 ( 4.3A)
None
HEM  A1500 (-4.2A)
 1.42A 4nsbA-3ut2A:
undetectable		 4nsbA-3ut2A:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ay1 CHITINASE-3-LIKE
PROTEIN 2

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 THR A  34
TRP A  36
ARG A  40
TRP A 360
 None
NAG  A 400 (-4.3A)
None
NAG  A 401 (-3.7A)
 0.75A 4nsbA-4ay1A:
53.6		 4nsbA-4ay1A:
49.32
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		4 THR A 314
ARG A 104
TRP A  91
LEU A 101
 HEM  A1741 (-3.5A)
HEM  A1741 (-4.0A)
None
HEM  A1741 ( 3.9A)
 1.27A 4nsbA-4c51A:
undetectable		 4nsbA-4c51A:
18.34
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 THR A 442
ARG A 346
TRP A 351
TRP A 257
 None
 1.46A 4nsbA-4p08A:
undetectable		 4nsbA-4p08A:
22.60
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.
4q2b ENDO-1,4-BETA-D-GLUC
ANASE

(Pseudomonas
putida) 		PF01270
(Glyco_hydro_8) 		4 THR A 152
TRP A 198
TRP A 146
LEU A  93
 None
 1.04A 4nsbA-4q2bA:
undetectable		 4nsbA-4q2bA:
23.00
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 4 THR B  48
TRP B  50
ARG B  55
TRP B 388
 None
 1.31A 4nsbA-4w5uB:
41.3		 4nsbA-4w5uB:
26.30
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 THR A 323
ARG A 108
TRP A  95
LEU A 105
 HEM  A 801 (-3.4A)
OXY  A 804 (-4.1A)
None
HEM  A 801 (-4.1A)
 1.36A 4nsbA-5kqiA:
undetectable		 4nsbA-5kqiA:
19.59
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.
5wvb CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 THR A 100
TRP A 102
ARG A 106
TRP A 433
 None
NAG  A 506 ( 4.3A)
None
NAG  A 504 (-3.6A)
 0.57A 4nsbA-5wvbA:
54.9		 4nsbA-5wvbA:
12.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wvg CHITINASE

(Ostrinia
furnacalis) 		no annotation 4 THR A 536
TRP A 538
ARG A 542
TRP A 864
 None
NAG  A1001 (-4.0A)
None
NAG  A1003 (-3.4A)
 0.56A 4nsbA-5wvgA:
53.9		 4nsbA-5wvgA:
38.89
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 4 THR A 589
TRP A 591
TRP A 288
LEU A 585
 None
GOL  A 814 (-4.4A)
None
GOL  A 814 (-4.8A)
 0.85A 4nsbA-5x3jA:
2.8		 4nsbA-5x3jA:
11.63
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.
5xep CHITINASE-3-LIKE
PROTEIN 1

(Mus musculus) 		no annotation 5 THR A  29
TRP A  31
ARG A  35
TRP A 353
LEU A 357
 None
 0.40A 4nsbA-5xepA:
57.9		 4nsbA-5xepA:
14.97
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.
5y29 INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 THR A1619
TRP A1621
ARG A1625
TRP A1961
LEU A1965
 None
 0.52A 4nsbA-5y29A:
51.1		 4nsbA-5y29A:
15.08
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.
5y2a INSECT GROUP II
CHITINASE

(Ostrinia
furnacalis) 		no annotation 5 THR A2065
TRP A2067
ARG A2071
TRP A2398
LEU A2402
 None
 0.72A 4nsbA-5y2aA:
51.2		 4nsbA-5y2aA:
12.67
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.
6ckv BCL-2-RELATED
OVARIAN KILLER
PROTEIN

(Homo sapiens) 		no annotation 4 TRP A 164
TRP A 120
TRP A 171
LEU A  27
 None
 1.24A 4nsbA-6ckvA:
undetectable		 4nsbA-6ckvA:
11.17