6GNK

Exoenzyme S from Pseudomonas aeruginosa in complex with human 14-3-3 protein beta, trimeric crystal form bound to Carba-NAD

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	14-3-3 protein beta/alpha	polymer	243	28079.5	2	UniProt (P31946) Pfam (PF00244) In PDB	Homo sapiens (Human)	Protein 1054,Protein kinase C inhibitor protein 1,KCIP-1
2	C	Exoenzyme S	polymer	244	26213.0	1	UniProt (Q93SQ1) Pfam (PF03496) In PDB	Pseudomonas aeruginosa
3	C	CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		662.5	1	Chemie (CNA)
4	C	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
5		water	water		18.0	26	Chemie (HOH)

Sequence modifications

A, B: 1 - 234 (UniProt: P31946)

PDB	External Database	Details
Glu 235	-	expression tag
Asn 236	-	expression tag
Leu 237	-	expression tag
Tyr 238	-	expression tag
Phe 239	-	expression tag
Gln 240	-	expression tag
Ser 241	-	expression tag
Leu 242	-	expression tag
Glu 243	-	expression tag

C: 233 - 453 (UniProt: Q93SQ1)

PDB	External Database	Details
Met 210	-	initiating methionine
Gly 211	-	expression tag
Ser 212	-	expression tag
Ser 213	-	expression tag
His 214	-	expression tag
His 215	-	expression tag
His 216	-	expression tag
His 217	-	expression tag
His 218	-	expression tag
His 219	-	expression tag
Ser 220	-	expression tag
Gln 221	-	expression tag
Asp 222	-	expression tag
Pro 223	-	expression tag
Asn 224	-	expression tag
Ser 225	-	expression tag
Glu 226	-	expression tag
Asn 227	-	expression tag
Leu 228	-	expression tag
Tyr 229	-	expression tag
Phe 230	-	expression tag
Gln 231	-	expression tag
Gly 232	-	expression tag
Ala 379	Glu 379	engineered mutation
Ala 381	Glu 381	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	82372.1
Non-Polymers*	Number of molecules	2
	Total formula weight	780.6
All*	Total formula weight	83152.7

*Water molecules are not included.