2PMS

Crystal structure of the complex of human lactoferrin N-lobe and lactoferrin-binding domain of pneumococcal surface protein A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Lactotransferrin	polymer	344	38279.4	2	UniProt (Q5EK51) Pfam (PF00405) UniProt (by SIFTS) (P02788)	Homo sapiens (human)	Lactoferrin, Talalactoferrin alfa
2	C, D (C, D)	PNEUMOCOCCAL SURFACE PROTEIN A (PSPA)	polymer	125	14120.6	2	UniProt (Q8DRI0) UniProt (by SIFTS) (Q54972)	Streptococcus pneumoniae
3	E, K (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	2	Chemie (NAG)
4	F, L (A, B)	CARBONATE ION	non-polymer		60.0	2	Chemie (CO3)
5	G, M (A, B)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
6	H, I, J, N, O... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
7	Q, R (C, D)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
8	S, T, U, V (A, B, C, D)	water	water		18.0	24	Chemie (HOH)

Sequence modifications

A, B: 1 - 344 (UniProt: Q5EK51)

PDB	External Database	Details
Thr 123	Asn 142	conflict

C, D: 168 - 288 (UniProt: Q8DRI0)

PDB	External Database	Details
Gly 164	-	expression tag
Ser 165	-	expression tag
His 166	-	expression tag
Met 167	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	104800.0
Non-Polymers*	Number of molecules	14
	Total formula weight	1381.3
All*	Total formula weight	106181.3

*Water molecules are not included.