Structure of PDB 4e5k Chain A

Receptor sequence

>4e5kA (length=329) Species: 316 (Stutzerimonas stutzeri)

MLPKLVITHRVHEEILQLLAPHCELITNQTDSTLTREEILRRCRDAQAMM
AFMPDRVDADFLQACPELRVIGCALKGFDNFDVDACTARGVWLTFVPDLL
TVPTAELAIGLAVGLGRHLRAADAFVRSGKFRGWQPRFYGTGLDNATVGF
LGMGAIGLAMADRLQGWGATLQYHEAKALDTQTEQRLGLRQVACSELFAS
SDFILLALPLNADTLHLVNAELLALVRPGALLVNPCRGSVVDEAAVLAAL
ERGQLGGYAADVFEMEDWARADRPQQIDPALLAHPNTLFTPHIGSAVRAV
RLEIERCAAQNILQALAGERPINAVNRLP

3D structure

• PDB: 4e5k Crystal structures of phosphite dehydrogenase provide insights into nicotinamide cofactor regeneration.
• Chain: A
• Resolution: 1.95 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): L100 R237 D261 E266 H292
• Catalytic site (residue number reindexed from 1): L100 R237 D261 E266 H292
• Enzyme Commision number: 1.20.1.1: phosphonate dehydrogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	NAD	A	K76 G77 L100 T104 G152 G154 A155 I156 H174 E175 A176 A207 L208 P209 P235 C236 R237 D261 H292 G294	K76 G77 L100 T104 G152 G154 A155 I156 H174 E175 A176 A207 L208 P209 P235 C236 R237 D261 H292 G294
BS02	SO3	A	M53 L75 K76 G77 L100 R237 H292	M53 L75 K76 G77 L100 R237 H292

Gene Ontology

Molecular Function

• GO:0008465 hydroxypyruvate reductase (NADH) activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0030267 glyoxylate reductase (NADPH) activity
• GO:0050609 phosphonate dehydrogenase activity
• GO:0051287 NAD binding

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4e5k, PDBe:4e5k, PDBj:4e5k
• PDBsum: 4e5k
• PubMed: 22564171
• UniProt: O69054|PTXD_STUST Phosphonate dehydrogenase (Gene Name=ptxD)