3IB1

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 indomethacin

Replaces:  2ALTReplaces:  3HWZ

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Lactotransferrin	polymer	345	37655.5	1	UniProt (P24627) Pfam (PF00405)	Bos taurus (Bovine)	Lactoferrin, Lactoferricin-B, Lfcin-B
2	B (B)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
3	C (C)	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)
4	D, E (A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	F (A)	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
6	G (A)	CARBONATE ION	non-polymer		60.0	1	Chemie (CO3)
7	H (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
8	I (A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	1	Chemie (NAG)
9	J (A)	INDOMETHACIN	non-polymer		357.8	1	Chemie (IMN)
10	K (A)	water	water		18.0	244	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	2
	Total formula weight	1659.5
Non-Polymers*	Number of molecules	7
	Total formula weight	921.7
All*	Total formula weight	40236.7

*Water molecules are not included.