8SJB

Crystal structure of Zn2+ bound calprotectin variant H87C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Protein S100-A8	polymer	88	10141.7	2	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,MRP-8,p8,S100 calcium-binding protein A8,Urinary stone protein band A
2	C, D	Protein S100-A9	polymer	99	11637.1	2	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,MRP-14,p14,S100 calcium-binding protein A9
3	A, B, C, D	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
4	A, B	NONAETHYLENE GLYCOL	non-polymer		414.5	2	Chemie (2PE)
5	C	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6		water	water		18.0	250	Chemie (HOH)

Sequence modifications

A, B: 1 - 88 (UniProt: P05109)

PDB	External Database	Details
Asn 17	His 17	engineered mutation
Asn 27	His 27	engineered mutation
Ser 42	Cys 42	engineered mutation
Cys 87	His 87	engineered mutation

C, D: 2 - 100 (UniProt: P06702)

PDB	External Database	Details
Asn 88	His 91	engineered mutation
Asn 92	His 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	43557.6
Non-Polymers*	Number of molecules	11
	Total formula weight	1215.0
All*	Total formula weight	44772.6

*Water molecules are not included.