5W1F

Crystal structure of Ni(II)- and Ca(II)-bound human calprotectin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, G, E	Protein S100-A8	polymer	93	10837.5	4	UniProt (P05109) Pfam (PF01023) In PDB	Homo sapiens (Human)	Calgranulin-A,Calprotectin L1L subunit,Cystic fibrosis antigen,CFAG,Leukocyte L1 complex light chain,Migration inhibitory factor-related protein 8,p8,S100 calcium-binding protein A8,Urinary stone protein band A
2	B, D, H, F	Protein S100-A9	polymer	114	13248.0	4	UniProt (P06702) Pfam (PF01023) In PDB	Homo sapiens (Human)	Calgranulin-B,Calprotectin L1H subunit,Leukocyte L1 complex heavy chain,Migration inhibitory factor-related protein 14,p14,S100 calcium-binding protein A9
3	A, B, C, G, H...	SODIUM ION	non-polymer		23.0	6	Chemie (NA)
4	E, F, A, B, C...	CALCIUM ION	non-polymer		40.1	10	Chemie (CA)
5	F, B, C, D, H...	NICKEL (II) ION	non-polymer		58.7	6	Chemie (NI)
6		water	water		18.0	148	Chemie (HOH)

Sequence modifications

A, C, G, E: 1 - 93 (UniProt: P05109)

PDB	External Database	Details
Ser 42	Cys 42	engineered mutation

B, D, H, F: 1 - 114 (UniProt: P06702)

PDB	External Database	Details
Ser 3	Cys 3	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	96341.7
Non-Polymers*	Number of molecules	22
	Total formula weight	890.9
All*	Total formula weight	97232.5

*Water molecules are not included.