4COO

Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution

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)	CYSTATHIONINE BETA-SYNTHASE	polymer	563	62132.9	2	UniProt (P35520) Pfam (PF00291) Pfam (PF00571)	HOMO SAPIENS (HUMAN)	BETA-THIONASE, SERINE SULFHYDRASE
2	C, N (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, O, P, Q, U (A, B)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
4	E, R (A, B)	PYRIDOXAL-5'-PHOSPHATE	non-polymer		247.1	2	Chemie (PLP)
5	F, G, H, I, J... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
6	K (A)	2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL	non-polymer		354.4	1	Chemie (PE4)
7	L, T (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
8	V, W (A, B)	water	water		18.0	294	Chemie (HOH)

Sequence modifications

A, B: 1 - 551 (UniProt: P35520)

PDB	External Database	Details
Met -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag
-	Ile 516	deletion
-	Gln 517	deletion
-	Tyr 518	deletion
-	His 519	deletion
-	Ser 520	deletion
-	Thr 521	deletion
-	Gly 522	deletion
-	Lys 523	deletion
-	Ser 524	deletion
-	Ser 525	deletion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	124265.9
Non-Polymers*	Number of molecules	19
	Total formula weight	2857.4
All*	Total formula weight	127123.3

*Water molecules are not included.