8F47

Crystal structure of VACV D13 in complex with STK69439

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)	Scaffold protein D13	polymer	576	65050.8	3	UniProt (P68440) Pfam (PF03340)	Vaccinia virus	62 kDa protein,Rifampicin resistance protein
2	BA, CA, D, E, F... (C, A, B)	FORMIC ACID	non-polymer		46.0	25	Chemie (FMT)
3	AA (C)	6,8-dimethoxy-2-methylquinolin-4-amine	non-polymer		218.3	1	Chemie (XDF)
4	DA, EA, FA (A, B, C)	water	water		18.0	276	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 551 (UniProt: P68440)

PDB	External Database	Details
Met -24	-	initiating methionine
Ser -23	-	expression tag
Tyr -22	-	expression tag
Tyr -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Asp -14	-	expression tag
Tyr -13	-	expression tag
Asp -12	-	expression tag
Ile -11	-	expression tag
Pro -10	-	expression tag
Thr -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	195152.5
Non-Polymers*	Number of molecules	26
	Total formula weight	1368.9
All*	Total formula weight	196521.4

*Water molecules are not included.