4P4K

Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between allergic hypersensitivity and auto immunity

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E	HLA class II histocompatibility antigen, DP alpha 1 chain	polymer	183	21169.6	2	UniProt (P20036) Pfam (PF00993) Pfam (PF07654) In PDB	Homo sapiens (Human)	DP(W3),DP(W4),HLA-SB alpha chain,MHC class II DP3-alpha,MHC class II DPA1
2	B, F	mim2 peptide,HLA class II histocompatibility antigen, DP beta 1 chain	polymer	212	24394.2	2	UniProt (P04440) Pfam (PF00969) Pfam (PF07654) In PDB	Homo sapiens (Human)	HLA class II histocompatibility antigen,DP(W4) beta chain,MHC class II antigen DPB1
3	C, G	hTCRav22 alpha chain	polymer	209	22995.5	2	Pfam (PF09291) UniProt (by SIFTS) (P01848) In PDB	Homo sapiens (human)
4	D, H	hTCRav22 beta chain	polymer	242	27266.3	2	Pfam (PF07654) UniProt (by SIFTS) (A0A5B9) In PDB	Homo sapiens (human)
5	A, B, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
6	B, F	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	B, F	BERYLLIUM	non-polymer		9.0	2	Chemie (0BE)
8		water	water		18.0	330	Chemie (HOH)

Sequence modifications

B, F: -25 - -15 (PDB: 4P4K)
B, F: 3 - 189 (UniProt: P04440)

PDB	External Database	Details
Gly -14	-	linker
Gly -13	-	linker
Gly -12	-	linker
Ser -11	-	linker
Leu -10	-	linker
Val -9	-	linker
Pro -8	-	linker
Arg -7	-	linker
Gly -6	-	linker
Ser -5	-	linker
Gly -4	-	linker
Gly -3	-	linker
Gly -2	-	linker
Gly -1	-	linker
Ser 3	Thr 32	variant
Val 36	Ala 65	variant
Asp 55	Ala 84	variant
Glu 56	Ala 85	variant
Glu 69	Lys 98	variant

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	191650.9
Non-Polymers*	Number of molecules	9
	Total formula weight	1170.0
All*	Total formula weight	192821.0

*Water molecules are not included.