SIMILAR PATTERNS OF AMINO ACIDS FOR 1NNF_A_EDTA400

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.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		8 GLU A  57
ARG A 101
SER A 139
ALA A 141
LYS A 174
ASN A 175
ASN A 193
TYR A 195
 None
None
CNB  A 400 ( 3.8A)
CNB  A 400 ( 4.7A)
CNB  A 400 ( 3.8A)
CNB  A 400 (-3.9A)
CNB  A 400 (-4.6A)
CNB  A 400 (-4.8A)
 0.89A 1nnfA-1r1nA:
47.6		 1nnfA-1r1nA:
70.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		8 GLU A  57
SER A 139
ALA A 141
LYS A 174
ASN A 175
ASN A 193
TYR A 195
TYR A 196
 None
CNB  A 400 ( 3.8A)
CNB  A 400 ( 4.7A)
CNB  A 400 ( 3.8A)
CNB  A 400 (-3.9A)
CNB  A 400 (-4.6A)
CNB  A 400 (-4.8A)
CNB  A 400 (-3.7A)
 0.78A 1nnfA-1r1nA:
47.6		 1nnfA-1r1nA:
70.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r1n FERRIC-IRON BINDING
PROTEIN

(Neisseria
gonorrhoeae) 		PF01547
(SBP_bac_1) 		5 GLU A 144
LYS A 174
ASN A 175
ASN A 193
TYR A 196
 None
CNB  A 400 ( 3.8A)
CNB  A 400 (-3.9A)
CNB  A 400 (-4.6A)
CNB  A 400 (-3.7A)
 1.35A 1nnfA-1r1nA:
47.6		 1nnfA-1r1nA:
70.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2o69 IRON-UTILIZATION
PERIPLASMIC PROTEIN

(Haemophilus
influenzae) 		PF01547
(SBP_bac_1) 		8 GLU A  57
ARG A 101
SER A 139
ALA A 141
ASN A 175
TYR A 195
TYR A 196
ARG A 262
 None
None
None
None
None
None
FE  A 401 (-4.6A)
None
 0.66A 1nnfA-2o69A:
51.1		 1nnfA-2o69A:
99.35
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.
3cqf THIOL-ACTIVATED
CYTOLYSIN

(Bacillus
anthracis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 GLN A 304
GLU A 196
ALA A 208
LYS A  96
TYR A 200
 None
 1.24A 1nnfA-3cqfA:
0.0		 1nnfA-3cqfA:
21.56
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.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		5 GLN A 454
GLU A 383
ASN A 620
TYR A 582
ARG A 712
 None
 1.45A 1nnfA-4ufcA:
0.0		 1nnfA-4ufcA:
18.16