SIMILAR PATTERNS OF AMINO ACIDS FOR 5SYI_B_NIZB806

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.
1itk CATALASE-PEROXIDASE

(Haloarcula
marismortui) 		PF00141
(peroxidase) 		5 ARG A  92
TRP A  95
HIS A  96
PRO A 221
SER A 305
 HEM  A 800 (-4.2A)
HEM  A 800 (-3.5A)
None
HEM  A 800 (-4.3A)
HEM  A 800 (-2.7A)
 0.16A 5syiB-1itkA:
62.1		 5syiB-1itkA:
59.97
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.
1iyn CHLOROPLASTIC
ASCORBATE PEROXIDASE

(Nicotiana
tabacum) 		PF00141
(peroxidase) 		4 ARG A  30
TRP A  33
HIS A  34
SER A 168
 HEM  A 296 (-3.9A)
HEM  A 296 (-3.7A)
None
HEM  A 296 (-2.9A)
 1.37A 5syiB-1iynA:
9.3		 5syiB-1iynA:
21.45
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.
1iyn CHLOROPLASTIC
ASCORBATE PEROXIDASE

(Nicotiana
tabacum) 		PF00141
(peroxidase) 		4 ARG A  30
TRP A  33
HIS A  34
SER A 173
 HEM  A 296 (-3.9A)
HEM  A 296 (-3.7A)
None
HEM  A 296 (-3.3A)
 0.39A 5syiB-1iynA:
9.3		 5syiB-1iynA:
21.45
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.
2xj6 ASCORBATE PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		4 ARG A  38
TRP A  41
HIS A  42
SER A 173
 HEM  A1001 ( 4.2A)
HEM  A1001 (-3.5A)
None
HEM  A1001 (-2.7A)
 0.36A 5syiB-2xj6A:
28.0		 5syiB-2xj6A:
18.70
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.
3czm L-LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ARG A 109
HIS A 195
PRO A 250
SER A 245
 OXQ  A 708 (-4.0A)
OXQ  A 708 ( 3.7A)
NAD  A 401 ( 4.5A)
OXQ  A 708 (-3.0A)
 1.48A 5syiB-3czmA:
undetectable		 5syiB-3czmA:
18.26
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.
3e2n CYTOCHROME C
PEROXIDASE

(Pisum sativum;
Saccharomyces
cerevisiae) 		PF00141
(peroxidase) 		4 ARG A  41
TRP A  44
HIS A  45
SER A 178
 HEM  A 296 (-4.2A)
HEM  A 296 (-3.5A)
None
HEM  A 296 (-2.6A)
 0.36A 5syiB-3e2nA:
31.6		 5syiB-3e2nA:
20.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ut2 CATALASE-PEROXIDASE
2

(Magnaporthe
oryzae) 		PF00141
(peroxidase) 		4 ARG A 137
HIS A 141
PRO A 276
SER A 359
 HEM  A1500 ( 4.3A)
TOX  A 140 ( 3.9A)
HEM  A1500 (-4.4A)
HEM  A1500 (-2.6A)
 0.16A 5syiB-3ut2A:
66.4		 5syiB-3ut2A:
58.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxo CATALASE-PEROXIDASE

(Synechococcus
elongatus) 		PF00141
(peroxidase) 		5 ARG A  91
TRP A  94
HIS A  95
PRO A 225
SER A 308
 HEM  A 801 ( 4.6A)
HEM  A 801 (-3.5A)
None
HEM  A 801 ( 4.2A)
HEM  A 801 ( 2.6A)
 0.26A 5syiB-3wxoA:
63.1		 5syiB-3wxoA:
61.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		5 ARG A 104
TRP A 107
HIS A 108
PRO A 232
SER A 315
 HEM  A1741 (-4.0A)
HEM  A1741 (-3.6A)
None
HEM  A1741 ( 4.3A)
HEM  A1741 (-2.9A)
 0.34A 5syiB-4c51A:
66.6		 5syiB-4c51A:
65.51
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.
4ged ASCORBATE PEROXIDASE

(Leishmania
major) 		PF00141
(peroxidase) 		4 ARG A  64
TRP A  67
HIS A  68
SER A 202
 HEM  A 401 ( 4.2A)
HEM  A 401 (-3.4A)
None
HEM  A 401 (-2.6A)
 0.41A 5syiB-4gedA:
8.4		 5syiB-4gedA:
17.86
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.
4n0y IGH526 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TRP H  50
HIS H  35
PRO H  52
SER H  78
 None
 1.49A 5syiB-4n0yH:
undetectable		 5syiB-4n0yH:
16.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		4 ARG A 108
HIS A 112
PRO A 241
SER A 324
 OXY  A 804 (-4.1A)
OXY  A 804 (-3.9A)
HEM  A 801 ( 4.3A)
HEM  A 801 (-2.6A)
 0.11A 5syiB-5kqiA:
72.8		 5syiB-5kqiA:
99.59
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 4 ARG A  87
HIS A  91
PRO A 241
SER A 324
 HEM  A 800 (-4.7A)
TOX  A  90 ( 3.8A)
HEM  A 800 ( 4.2A)
HEM  A 800 (-2.9A)
 0.39A 5syiB-5whsA:
67.3		 5syiB-5whsA:
5.67