Structure of PDB 4npi Chain A

Receptor sequence

>4npiA (length=483) Species: 294 (Pseudomonas fluorescens)

SQLLNYIDGNFVTSASSFANINPVNGKLISDVFEADAKQVNEAVVAAQNA
LKGPWGKLSVQDRAALIHKIADGIQARFEEFVAAEVADTGRPVHQARTLD
IPRAIANFRTFADLAKTSHTDLFEMSTSDGSGALNYTVRKPLGVIGVISP
WNLPLLLFTWKVAPALACGNTVVAKPSEESPSSATLLAEVMHDAGVPPGV
FNLIHGFGKDSAGEFLTQHPGISALTFTGESKTGSTIMKAVADGVKEVSF
ELGGKNAAVVFADADLDAAIEGVLRSSFTNSGQVCLCSERVYVHRSIFDE
FVSGLKVEAERLVVGYPDQDGVNMGPLISHGHRDKVLSYYRLAVDEGATV
VTGGGVPKFNDERDQGAYVQPTIWTGLSDKARCVTEEIFGPVCHISPFDD
EDEVINRVNDSNYGLACAIWTTNLSRAHRVSRQIHVGLVWVNTWYLRDLR
TPFGGVKLSGLGREGGRFSMDFYSDIANICIKI

3D structure

• PDB: 4npi Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action.
• Chain: A
• Resolution: 1.94 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): N169 K192 E268 C302 E404 E481
• Catalytic site (residue number reindexed from 1): N152 K175 E251 C285 E387 E464

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	I165 S166 P167 W168 K192 E195 G225 G230 E231 F244 G246 E247 T250 G270 C302 K352 E404 F406	I148 S149 P150 W151 K175 E178 G208 G213 E214 F227 G229 E230 T233 G253 C285 K335 E387 F389
BS02	2VS	A	R120 L174 W177 E268 C302 Y462 R464 F470	R103 L157 W160 E251 C285 Y445 R447 F453

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• 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:4npi, PDBe:4npi, PDBj:4npi
• PDBsum: 4npi
• PubMed: 25565451
• UniProt: Q83V33