5NF0

Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa

External Resource: Annotation

Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Protein Modification Annotation

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Calcium-mediated lectin	8042940	3001391	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Calcium-mediated lectin	8042940	3001391	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Calcium-mediated lectin	8042940	3001391	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Calcium-mediated lectin	8042940	3001391	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	PA-IIL	e5nf0A1	A: beta sandwiches	X: jelly-roll	H: Calcium-mediated lectin (From Topology)	T: Calcium-mediated lectin	F: PA-IIL	ECOD (1.6)
B	PA-IIL	e5nf0B1	A: beta sandwiches	X: jelly-roll	H: Calcium-mediated lectin (From Topology)	T: Calcium-mediated lectin	F: PA-IIL	ECOD (1.6)
D	PA-IIL	e5nf0D1	A: beta sandwiches	X: jelly-roll	H: Calcium-mediated lectin (From Topology)	T: Calcium-mediated lectin	F: PA-IIL	ECOD (1.6)
C	PA-IIL	e5nf0C1	A: beta sandwiches	X: jelly-roll	H: Calcium-mediated lectin (From Topology)	T: Calcium-mediated lectin	F: PA-IIL	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	2.60.120.400	Mainly Beta	Sandwich	Jelly Rolls	Calcium-mediated lectin	CATH (4.3.0)
B	2.60.120.400	Mainly Beta	Sandwich	Jelly Rolls	Calcium-mediated lectin	CATH (4.3.0)
D	2.60.120.400	Mainly Beta	Sandwich	Jelly Rolls	Calcium-mediated lectin	CATH (4.3.0)
C	2.60.120.400	Mainly Beta	Sandwich	Jelly Rolls	Calcium-mediated lectin	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF07472	Fucose-binding lectin II (PA-IIL) (PA-IIL)	Fucose-binding lectin II (PA-IIL)	-	Family

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Fucose-binding lectin II (PA-IIL)	binding carbohydrate binding cation binding ion binding metal ion binding small molecule binding	cell aggregation biofilm formation biological process involved in intraspecies interaction between organisms single-species biofilm formation cellular process aggregation of unicellular organisms	-
E, G, H	CYD-TRP-TRD-LYS-LYD-LYS-LYD-LYS-TRD-TRP-CYD-GLY	-	-	-
F	Fragment of ligand	-	-	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR036684	Calcium-mediated lectin superfamily	Homologous Superfamily
A, B, C, D	IPR010907	Calcium-mediated lectin	Domain
A, B, C, D	IPR016927	Lectin, sugar-binding	Family

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
E, G, H	DCY
E, G, H	DLY
E, G, H	DTR	RESID: AA0198 PSI-MOD : D-tryptophan MOD:00205
E, G, H	NH2	RESID: AA0198 , AA0081 , AA0083 , AA0084 , AA0086 , AA0087 , AA0088 , AA0090 , AA0091 , AA0092 , AA0093 , AA0095 , AA0096 , AA0097 , AA0098 , AA0099 , AA0100 PSI-MOD : D-tryptophan MOD:00205 , L-alanine amide MOD:00090 , L-asparagine amide MOD:00092 , L-aspartic acid 1-amide MOD:00093 , L-glutamine amide MOD:00095 , L-glutamic acid 1-amide MOD:00096 , glycine amide MOD:00097 , L-isoleucine amide MOD:00099 , L-leucine amide MOD:00100 , L-lysine amide MOD:00101 , L-methionine amide MOD:00102 , L-proline amide MOD:00104 , L-serine amide MOD:00105 , L-threonine amide MOD:00106 , L-tryptophan amide MOD:00107 , L-tyrosine amide MOD:00108 , L-valine amide MOD:00109

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.