6WNI

Crystal structure of CldA, the first cyclomaltodextrin glucanotransferase with a three-domain ABC distribution

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cyclomaltodextrin glucanotransferase	polymer	535	61203.8	2	UniProt (U5CJP3) Pfam (PF00128) Pfam (PF02806) In PDB	Caldanaerobacter subterraneus
2	A, B	CALCIUM ION	non-polymer		40.1	6	Chemie (CA)
3	A, B	CITRATE ANION	non-polymer		189.1	4	Chemie (FLC)
4	B, A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	17	Chemie (PEG)
5		water	water		18.0	848	Chemie (HOH)

Sequence modifications

A, B: 1 - 524 (UniProt: U5CJP3)

PDB	External Database	Details
Pro 106	Leu 106	conflict
Val 441	Ile 441	conflict
Thr 471	Ala 471	conflict
Asp 507	Gly 507	conflict
Thr 509	Ala 509	conflict
Asn 513	Asp 513	conflict
Ala 525	-	expression tag
Ala 526	-	expression tag
Ala 527	-	expression tag
Leu 528	-	expression tag
Glu 529	-	expression tag
His 530	-	expression tag
His 531	-	expression tag
His 532	-	expression tag
His 533	-	expression tag
His 534	-	expression tag
His 535	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122407.7
Non-Polymers*	Number of molecules	27
	Total formula weight	2800.9
All*	Total formula weight	125208.6

*Water molecules are not included.