SIMILAR PATTERNS OF AMINO ACIDS FOR 3E6L_B_H4BB1902

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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		4 SER A 334
MET A 336
ARG A 596
TRP A 678
 None
H4B  A 760 ( 3.8A)
H4B  A 760 (-3.5A)
H4B  A 760 ( 3.6A)
 0.56A 3e6lB-1lzxA:
57.3		 3e6lB-1lzxA:
62.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		5 SER A 112
MET A 114
ARG A 375
ILE A 456
TRP A 457
 H4B  A 901 (-4.8A)
H4B  A 901 (-4.0A)
H4B  A 901 (-3.4A)
H4B  A 901 (-4.7A)
H4B  A 901 ( 3.7A)
 0.35A 3e6lB-1qw5A:
61.6		 3e6lB-1qw5A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 SER A 118
MET A 120
ARG A 381
ILE A 462
TRP A 463
 None
H4B  A 902 (-3.8A)
H4B  A 902 (-3.9A)
H4B  A 902 (-4.9A)
H4B  A 902 ( 3.6A)
 0.51A 3e6lB-3e7gA:
60.0		 3e6lB-3e7gA:
87.23
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 0.98A 3e6lB-4zxiA:
0.0		 3e6lB-4zxiA:
15.84
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.
5jz7 MEDI578 SCFV, HEAVY
CHAIN

(Homo sapiens) 		PF07686
(V-set) 		4 SER C  59
MET C  48
ILE C  69
TRP C  36
 None
 1.42A 3e6lB-5jz7C:
0.0		 3e6lB-5jz7C:
12.93