6W9G

Crystal Structure of the Fab fragment of humanized 5c8 antibody containing the fluorescent non-canonical amino acid L-(7-hydroxycoumarin-4-yl)ethylglycine in complex with CD40L at pH 6.8

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 (A, B, C)	CD40 ligand	polymer	146	15812.8	3	UniProt (P29965) Pfam (PF00229)	Homo sapiens (Human)	CD40-L,T-cell antigen Gp39,TNF-related activation protein,TRAP,Tumor necrosis factor ligand superfamily member 5
2	D, F, H (H, K, X)	5c8* Fab (heavy chain)	polymer	226	24078.9	3		Homo sapiens (Human)
3	E, G, I (L, M, Y)	5c8* Fab (light chain)	polymer	218	24013.6	3		Homo sapiens (Human)
4	J, K, L (D, E, F)	alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		1073.0	3	In PDB GlyTouCan (G02763QD)
5	AA, M, QA, R, RA... (L, A, Y, B, C)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	8	Chemie (PEG)
6	N, O (A)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	2	Chemie (TRS)
7	BA, CA, DA, EA, FA... (L, K, M, X, A...)	trimethylamine oxide	non-polymer		75.1	21	Chemie (TMO)
8	NA, Q, T (M, A, B)	2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL	non-polymer		208.3	3	Chemie (ETE)
9	X (C)	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE)
10	AB, BB, CB, DB, VA... (K, M, X, Y, A...)	water	water		18.0	1238	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	9
	Total formula weight	191715.8
Branched	Number of molecules	3
	Total formula weight	3218.9
Non-Polymers*	Number of molecules	35
	Total formula weight	3533.6
All*	Total formula weight	198468.3

*Water molecules are not included.