9NVP

Structure of Nanchung-Inactive-Calmodulin in complex with Nicotinamide, EDTA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, F (B, D)	Inactive	polymer	984	109382.0	2	UniProt (A0A9P0MRC5) UniProt (A0A9P0HI19) Pfam (PF00023) Pfam (PF12796) Pfam (PF00520)	Halyomorpha halys
2	B, E (A, C)	Nanchung	polymer	882	101194.9	2		Halyomorpha halys
3	C, D (E, F)	Calmodulin-1	polymer	149	16852.5	2	UniProt (P0DP23) Pfam (PF13499)	Homo sapiens (human)
4	AA, BA, G, H, I... (D, B, A, C)	[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate	non-polymer		718.0	14	Chemie (6OU) PubChem (23727968) PubChem (3246975) PubChem (5282290) PubChem (5283496) PubChem (5785226) PubChem (123931) PubChem (90470676) PubChem (92863393)
5	CA, DA, J, K, Q... (D, B, A, C)	1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine	non-polymer		760.1	6	Chemie (LBN)
6	N, T (A, C)	NICOTINAMIDE	non-polymer		122.1	2	Chemie (NCA) PubChem (936)
7	O, U (A, C)	(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 - 16 (PDB: 9NVP)
B, D: 31 - 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	454858.8
Non-Polymers*	Number of molecules	24
	Total formula weight	16380.7
All*	Total formula weight	471239.5

*Water molecules are not included.