8GMN

Crystal structure of human C1s in complex with inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Complement C1s subcomponent	polymer	371	40773.2	4	UniProt (P09871) Pfam (PF00084) Pfam (PF00089)	Homo sapiens (human)	C1 esterase,Complement component 1 subcomponent s
2	E, G, I, J (A, B, C, D)	[4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone	non-polymer		347.4	4	Chemie (ZWK)
3	F, H (B, C)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	K, L, M, N (A, B, C, D)	water	water		18.0	239	Chemie (HOH)

Sequence modifications

A, B, C, D: 358 - 688 (UniProt: P09871)

PDB	External Database	Details
Met 318	-	initiating methionine
Leu 319	-	expression tag
Leu 320	-	expression tag
Val 321	-	expression tag
Asn 322	-	expression tag
Gln 323	-	expression tag
Ser 324	-	expression tag
His 325	-	expression tag
Gln 326	-	expression tag
Gly 327	-	expression tag
Phe 328	-	expression tag
Asn 329	-	expression tag
Lys 330	-	expression tag
Glu 331	-	expression tag
His 332	-	expression tag
Thr 333	-	expression tag
Ser 334	-	expression tag
Lys 335	-	expression tag
Met 336	-	expression tag
Val 337	-	expression tag
Ser 338	-	expression tag
Ala 339	-	expression tag
Ile 340	-	expression tag
Val 341	-	expression tag
Leu 342	-	expression tag
Tyr 343	-	expression tag
Val 344	-	expression tag
Leu 345	-	expression tag
Leu 346	-	expression tag
Ala 347	-	expression tag
Ala 348	-	expression tag
Ala 349	-	expression tag
Ala 350	-	expression tag
His 351	-	expression tag
Ser 352	-	expression tag
Ala 353	-	expression tag
Phe 354	-	expression tag
Ala 355	-	expression tag
Asp 356	-	expression tag
Leu 357	-	expression tag
Ala 518	Glu 518	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	163092.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1581.8
All*	Total formula weight	164674.7

*Water molecules are not included.