3IB0

Structural basis of the prevention of NSAID-induced damage of the gastrointestinal tract by C-terminal half (C-lobe) of bovine colostrum protein lactoferrin: Binding and structural studies of C-lobe complex with diclofenac

Replaces:  2B6DReplaces:  3HWV

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Lactotransferrin	polymer	345	37655.5	1	UniProt (P24627) Pfam (PF00405) In PDB	Bos taurus (Bovine)	Lactoferrin, Lactoferricin-B, Lfcin-B
2	B	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
3	C	alpha-D-mannopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G42402GU)
4	D	alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	1	In PDB GlyTouCan (G62783KT)
5	A	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
6	A	CARBONATE ION	non-polymer		60.0	1	Chemie (CO3)
7	A	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	non-polymer		296.1	1	Chemie (DIF)
8	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
9	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
10	A	ETHANOL	non-polymer		46.1	1	Chemie (EOH)
11		water	water		18.0	509	Chemie (HOH)

Sequence modifications

A: 342 - 686 (UniProt: P24627)

PDB	External Database	Details
Lys 565	Asn 584	SEE SEQUENCE DETAILS
Glu 608	Lys 627	SEE SEQUENCE DETAILS

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37655.5
Branched	Number of molecules	3
	Total formula weight	2408.2
Non-Polymers*	Number of molecules	8
	Total formula weight	781.0
All*	Total formula weight	40844.7

*Water molecules are not included.