Structure of PDB 4i3x Chain B

Receptor sequence

>4i3xB (length=474) Species: 266834 (Sinorhizobium meliloti 1021)

HEPMRIAGRLVDTDDRVEVRYPWNDTVVGTVPAGRAEHAREAFAIAAAYQ
PKLTRYERQKILLATAEALAARKEEISDVITLELGISKADSLYEVGRAFD
VFTLAGQMCIRDDGEIFSCDLTPHGKARKIFTMREPLTAISAITPFNHPL
NMVAHKVAPAIATNNCVVVKPTELTPMTALLLADILYEAGLPPEMLSVVT
GWPADIGMEMITNPHVDLVTFTGSVPVGKLIAANAHYKRQVLELGGNDPL
IILNDLSDDDLARAADLAVAGATKNSGQRCTAVKRILCQESVADRFVPLV
LERAKRLRFGDPMDRSTDLGTVIHEKAAALFEERVMRAAEEGADILYHPG
RSGALLPPIVVDRVPHQSDLVLEETFGPIIPIVRVPDDDDATITLSNSTA
FGLSSGVCTNDYRRMQKYIAGLKVGTVNIWEVPGYRIEMSPFGGIKDSGN
GYKEGVIEAMKSFTNVKTFSLPWP

3D structure

• PDB: 4i3x Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
• Chain: B
• Resolution: 2.07 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): N158 K181 E254 C291 E385 E465
• Catalytic site (residue number reindexed from 1): N147 K170 E243 C280 E374 E454
• Enzyme Commision number: 1.2.1.-

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	B	I154 T155 P156 F157 N158 K181 T183 P214 G218 F232 T233 G234 S235 V238 E254 L255 C291 E385 F387 F453	I143 T144 P145 F146 N147 K170 T172 P203 G207 F221 T222 G223 S224 V227 E243 L244 C280 E374 F376 F442
BS02	PAE	B	R108 N158 H159 R290 C291 R447	R97 N147 H148 R279 C280 R436

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008911 lactaldehyde dehydrogenase (NAD+) activity
• GO:0016491 oxidoreductase activity
• GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor

External links

• PDB: RCSB:4i3x, PDBe:4i3x, PDBj:4i3x
• PDBsum: 4i3x
• PubMed: 24361046
• UniProt: Q92UV7|PHNY_RHIME Phosphonoacetaldehyde dehydrogenase (Gene Name=phnY)