9NVN

Structure of Nanchung-Inactive-Calmodulin in apo state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E (B, D)	Inactive	polymer	984	109382.0	2	UniProt (A0A9P0MRC5) UniProt (A0A9P0HI19) Pfam (PF00023) Pfam (PF12796) Pfam (PF00520)	Halyomorpha halys (brown marmorated stink bug)
2	B, D (E, F)	Calmodulin-1	polymer	74	8168.0	2	UniProt (P0DP23) Pfam (PF13499)	Homo sapiens (human)
3	C, F (A, C)	Nanchung	polymer	907	103938.9	2		Halyomorpha halys
4	BA, DA, EA, G, H... (C, B, A, D)	[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate	non-polymer		718.0	12	Chemie (6OU) PubChem (23727968) PubChem (3246975) PubChem (5282290) PubChem (5283496) PubChem (5785226) PubChem (123931) PubChem (90470676) PubChem (92863393)
5	AA, J, K, L, V... (D, B)	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	non-polymer		760.1	6	Chemie (LBN)
6	FA, M, N, S, T... (C, E, A, F)	CALCIUM ION	non-polymer		40.1	6	Chemie (CA) PubChem (271)
7	CA, P (C, A)	(2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid	non-polymer		762.0	2	Chemie (D39) PubChem (5282292) PubChem (5283499) PubChem (5771747) PubChem (71768570) PubChem (122264) PubChem (73027703) PubChem (11607406) PubChem (102261856) PubChem (9853619) PubChem (13743808)

Sequence modifications

B, D: -13 - 31 (PDB: 9NVN)
B, D: 32 - 92 (UniProt: A0A9P0MRC5)
B, D: 93 - 984 (UniProt: A0A9P0HI19)

PDB	External Database	Details
Gln 254	His 172	conflict
Ile 401	Leu 319	conflict
Ile 427	Val 345	conflict
Leu 445	Ile 363	conflict
Val 480	Ile 398	conflict
Ile 487	Met 405	conflict
Val 607	Ile 525	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	442977.8
Non-Polymers*	Number of molecules	26
	Total formula weight	14940.9
All*	Total formula weight	457918.6

*Water molecules are not included.