6ICO

Pseudomonas putida CBB5 NdmA with theophylline

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	Methylxanthine N1-demethylase NdmA	polymer	369	42379.4	3	UniProt (H9N289) Pfam (PF00355) Pfam (PF19112) In PDB	Pseudomonas putida (Arthrobacter siderocapsulatus)	1-methylxanthine demethylase
2	A, B, C	FE2/S2 (INORGANIC) CLUSTER	non-polymer		175.8	3	Chemie (FES)
3	A, B, C	COBALT (II) ION	non-polymer		58.9	3	Chemie (CO)
4	A, B, C	THEOPHYLLINE	non-polymer		180.2	3	Chemie (TEP)
5		water	water		18.0	1221	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 351 (UniProt: H9N289)

PDB	External Database	Details
Met -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -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
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	127138.2
Non-Polymers*	Number of molecules	9
	Total formula weight	1244.8
All*	Total formula weight	128382.9

*Water molecules are not included.