4DL1

Crystal Structure of human Myeloperoxidase with covalent thioxanthine analog

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I... (A, B, E, F, I...)	Myeloperoxidase light chain	polymer	104	11903.3	8	UniProt (P05164)	Homo sapiens (human)
2	B, D, F, H, J... (C, D, G, H, K...)	Myeloperoxidase heavy chain	polymer	466	53234.2	8	UniProt (P05164) Pfam (PF03098)	Homo sapiens (human)
3	Q, R, S, T, U... (Q, R, S, T, U...)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1057.0	8	In PDB GlyTouCan (G82348BZ)
4	Y (Y)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	1	In PDB GlyTouCan (G22768VO)
5	DB, FA, JB, LA, PB... (J, B, M, E, N...)	CHLORIDE ION	non-polymer		35.5	8	Chemie (CL)
6	AA, FB, HA, OB, QA... (C, L, D, O, G...)	3-[(2R)-2-ethoxypropyl]-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one	non-polymer		254.3	8	Chemie (0KY)
7	BA, EB, GA, KB, MA... (C, L, D, O, G...)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	8	Chemie (HEM)
8	AB, BB, CA, DA, GB... (K, C, L, D, O...)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	15	Chemie (NAG)
9	CB, EA, IB, KA, NB... (K, C, L, D, O...)	CALCIUM ION	non-polymer		40.1	8	Chemie (CA)
10	AC, BC, CC, DC, EC... (F, H, I, K, J...)	water	water		18.0	2520	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	521100.3
Branched	Number of molecules	9
	Total formula weight	9366.5
Non-Polymers*	Number of molecules	47
	Total formula weight	10888.7
All*	Total formula weight	541355.5

*Water molecules are not included.