5OVV

PDZ domain from rat Shank3 bound to the C terminus of ProSAPiP1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	SH3 and multiple ankyrin repeat domains protein 3	polymer	123	13576.5	1	UniProt (A0A0U1RRP5) Pfam (PF17820) UniProt (by SIFTS) (Q9JLU4) In PDB	Rattus norvegicus (Rat)
2	B	Leucine zipper putative tumor suppressor 3	polymer	7	716.8	1	UniProt (Q8K1Q4) In PDB	Rattus norvegicus	ProSAP-interacting protein 1,ProSAPiP1
3	A, B	THIOCYANATE ION	non-polymer		58.1	2	Chemie (SCN)
4		water	water		18.0	139	Chemie (HOH)

Sequence modifications

A: 580 - 674 (UniProt: A0A0U1RRP5)

PDB	External Database	Details
Met 552	-	initiating methionine
Gly 553	-	expression tag
Pro 554	-	expression tag
His 555	-	expression tag
His 556	-	expression tag
His 557	-	expression tag
His 558	-	expression tag
His 559	-	expression tag
His 560	-	expression tag
Leu 561	-	expression tag
Glu 562	-	expression tag
Ser 563	-	expression tag
Thr 564	-	expression tag
Ser 565	-	expression tag
Leu 566	-	expression tag
Tyr 567	-	expression tag
Lys 568	-	expression tag
Lys 569	-	expression tag
Ala 570	-	expression tag
Gly 571	-	expression tag
Ser 572	-	expression tag
Glu 573	-	expression tag
Asn 574	-	expression tag
Leu 575	-	expression tag
Tyr 576	-	expression tag
Phe 577	-	expression tag
Gln 578	-	expression tag
Ser 579	-	expression tag

B: 698 - 703 (UniProt: Q8K1Q4)

PDB	External Database	Details
Ace 697	-	acetylation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	14293.3
Non-Polymers*	Number of molecules	2
	Total formula weight	116.2
All*	Total formula weight	14409.5

*Water molecules are not included.