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4ZWL

2.60 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B, C, D, E...Betaine-aldehyde dehydrogenasepolymer51757075.18UniProt (Q5HCU0)
Pfam (PF00171)
UniProt (by SIFTS) (A0A0M3KL40)
In PDB
Staphylococcus aureus (strain COL)
2G, H, A, B, C...NICOTINAMIDE-ADENINE-DINUCLEOTIDEnon-polymer663.48Chemie (NAD)
3G, A, B, C, D...SULFATE IONnon-polymer96.115Chemie (SO4)
4waterwater18.01195Chemie (HOH)
Sequence modifications
A, B, C, D, E, F, G, H: 1 - 496 (UniProt: Q5HCU0)
PDBExternal DatabaseDetails
Met -20-expression tag
Gly -19-expression tag
Ser -18-expression tag
Ser -17-expression tag
His -16-expression tag
His -15-expression tag
His -14-expression tag
His -13-expression tag
His -12-expression tag
His -11-expression tag
Ser -10-expression tag
Ser -9-expression tag
Gly -8-expression tag
Arg -7-expression tag
Glu -6-expression tag
Asn -5-expression tag
Leu -4-expression tag
Tyr -3-expression tag
Phe -2-expression tag
Gln -1-expression tag
Gly 0-expression tag
Phe 448His 448engineered mutation
Leu 450Tyr 450engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains8
Total formula weight456601.1
Non-Polymers*Number of molecules23
Total formula weight6748.3
All*Total formula weight463349.4
*Water molecules are not included.

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PDB entries from 2024-09-18

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