9SM4

Zuzalysin active dodecahedral complex

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	828	94691.4	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)
4	AJ, AK, BJ, BK, CJ... (E1, J2, E2, J3, E3...)	water	water		18.0	39048	Chemie (HOH)

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: 45 - 859 (UniProt: A0AAF0BD41)

PDB	External Database	Details
Met -13	-	initiating methionine
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -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
Met 197	Val 197	conflict
Pro 298	Leu 298	conflict
Val 306	Ile 306	conflict
His 751	Tyr 751	conflict
His 774	Tyr 774	conflict
Ala 805	Ser 805	conflict

Contents of the asymmetric unit

Polymers	Number of chains	60
	Total formula weight	5681486.3
Non-Polymers*	Number of molecules	180
	Total formula weight	8733.9
All*	Total formula weight	5690220.2

*Water molecules are not included.