12CL

Crystal structure of canine myeloperoxidase inhibited by SPIN from Staphylococcus delphini

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)	Myeloperoxidase	polymer	741	83687.0	2	UniProt (A0A8I3P7A7)	Canis lupus familiaris (dog)
2	C, D (C, D)	SPIN family peroxidase inhibitor	polymer	77	8611.5	2	UniProt (A0A2A4GXB5)	Staphylococcus delphini
3	E, H (F, I)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB
4	F, G (E, H)	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	2	In PDB
5	EA, I (B, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	FA, J (B, A)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
7	GA, K (B, A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
8	HA, L, Y (B, A)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	3	Chemie (NAG)
9	IA, JA, M, N, P... (B, A)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
10	KA, O, R, S (B, A)	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
11	AA, BA, CA, DA, LA... (B, A)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
12	MA, NA, OA, PA (A, B, C, D)	water	water		18.0	866	Chemie (HOH)

Sequence modifications

C, D: 28 - 99 (UniProt: A0A2A4GXB5)

PDB	External Database	Details
Gly 23	-	expression tag
Ser 24	-	expression tag
Thr 25	-	expression tag
Gly 26	-	expression tag
Ser 27	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	184596.8
Branched	Number of molecules	4
	Total formula weight	3287.0
Non-Polymers*	Number of molecules	30
	Total formula weight	3889.1
All*	Total formula weight	191772.9

*Water molecules are not included.