4IDT

Crystal Structure of NIK with 11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine (T28)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Mitogen-activated protein kinase kinase kinase 14	polymer	356	39173.7	2	UniProt (Q99558) Pfam (PF00069)	Homo sapiens (human)	NF-kappa-beta-inducing kinase, HsNIK, Serine/threonine-protein kinase NIK
2	C, D (A, B)	11-bromo-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-2-amine	non-polymer		329.2	2	Chemie (T28)
3	E, F (A, B)	water	water		18.0	317	Chemie (HOH)

Sequence modifications

A, B: 330 - 680 (UniProt: Q99558)

PDB	External Database	Details
Gly 325	-	expression tag
Ala 326	-	expression tag
Met 327	-	expression tag
Gly 328	-	expression tag
Ser 329	-	expression tag
Asp 549	Ser 549	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78347.4
Non-Polymers*	Number of molecules	2
	Total formula weight	658.4
All*	Total formula weight	79005.8

*Water molecules are not included.