7BI3

14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-179

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	14-3-3 protein sigma	polymer	253	28226.5	1	UniProt (P31947) Pfam (PF00244) In PDB	Homo sapiens (Human)	Epithelial cell marker protein 1,Stratifin
2	P	Transcription factor p65	polymer	13	1412.4	1	UniProt (Q04206) In PDB	Homo sapiens	Nuclear factor NF-kappa-B p65 subunit,Nuclear factor of kappa light polypeptide gene enhancer in B-cells 3
3	A	4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde	non-polymer		331.4	1	Chemie (TQW)
4	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	A	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
6	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
7	P	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
8		water	water		18.0	366	Chemie (HOH)

Sequence modifications

A: 1 - 248 (UniProt: P31947)

PDB	External Database	Details
Gly -4	-	expression tag
Ala -3	-	expression tag
Met -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

P: 39 - 51 (UniProt: Q04206)

PDB	External Database	Details
Arg 49	Glu 49	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	29638.9
Non-Polymers*	Number of molecules	6
	Total formula weight	645.2
All*	Total formula weight	30284.2

*Water molecules are not included.