2W72

DEOXYGENATED STRUCTURE OF A DISTAL SITE HEMOGLOBIN MUTANT PLUS XE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	HUMAN HEMOGLOBIN A	polymer	141	15190.4	1	UniProt (P69905) Pfam (PF00042) In PDB	HOMO SAPIENS (HUMAN)
2	B, D	HUMAN HEMOGLOBIN A	polymer	146	15962.3	2	UniProt (P68871) Pfam (PF00042) In PDB	HOMO SAPIENS (HUMAN)
3	C	HUMAN HEMOGLOBIN A	polymer	141	15222.4	1	UniProt (P69905) Pfam (PF00042) In PDB	HOMO SAPIENS (HUMAN)
4	A, D, B, C	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
5	A, D, B, C	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
6	C, D, A, B	XENON	non-polymer		131.3	15	Chemie (XE)
7	A, B, C	POTASSIUM ION	non-polymer		39.1	3	Chemie (K)
8	C	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
9		water	water		18.0	814	Chemie (HOH)

Sequence modifications

A: 1 - 141 (UniProt: P69905)

PDB	External Database	Details
Tyr 29	Leu 30	engineered mutation
Gln 58	His 59	engineered mutation

B, D: 1 - 146 (UniProt: P68871)

PDB	External Database	Details
Met 1	Val 2	conflict
Tyr 28	Leu 29	engineered mutation
Gln 63	His 64	engineered mutation

C: 1 - 141 (UniProt: P69905)

PDB	External Database	Details
Met 1	Val 2	conflict
Tyr 29	Leu 30	engineered mutation
Gln 58	His 59	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	62337.3
Non-Polymers*	Number of molecules	31
	Total formula weight	5416.1
All*	Total formula weight	67753.4

*Water molecules are not included.