9SMJ

Zuzalysin zymogen dodecahedral complex E439A

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, AA, AB, B, BA... (A1, A2, A3, A4, A5...)	Zinc-dependent metalloprotease	polymer	852	97103.3	60	UniProt (A0AAF0BD41)	Porphyromonas gingivalis
2	AC, AE, AF, AH, AI... (B2, E4, G3, J5, L4...)	CALCIUM ION	non-polymer		40.1	120	Chemie (CA) PubChem (271)
3	AD, AG, BE, BH, CC... (C5, I1, E4, J5, B2...)	ZINC ION	non-polymer		65.4	60	Chemie (ZN) PubChem (32051)

Sequence modifications

A1, A2, A3, A4, A5, B1, B2, B3, B4, B5, C1, C2, C3, C4, C5, D1, D2, D3, D4, D5, E1, E2, E3, E4, E5, F1, F2, F3, F4, F5, G1, G2, G3, G4, G5, H1, H2, H3, H4, H5, I1, I2, I3, I4, I5, J1, J2, J3, J4, J5, K1, K2, K3, K4, K5, L1, L2, L3, L4, L5: 23 - 859 (UniProt: A0AAF0BD41)

PDB	External Database	Details
Met 14	-	initiating methionine
Ala 15	-	expression tag
Ser 16	-	expression tag
Met 17	-	expression tag
Thr 18	-	expression tag
Gly 19	-	expression tag
Gly 20	-	expression tag
Gln 21	-	expression tag
Met 22	-	expression tag
Gly 23	Ala 23	conflict
Met 197	Val 197	conflict
Pro 298	Leu 298	conflict
Val 306	Ile 306	conflict
Ala 439	Glu 439	conflict
His 751	Tyr 751	conflict
His 774	Tyr 774	conflict
Ala 805	Ser 805	conflict
His 901	-	expression tag
His 902	-	expression tag
His 903	-	expression tag
His 904	-	expression tag
His 905	-	expression tag
His 906	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	60
	Total formula weight	5826198.3
Non-Polymers*	Number of molecules	180
	Total formula weight	8733.9
All*	Total formula weight	5834932.2

*Water molecules are not included.