Structure of PDB 2ofp Chain B

Receptor sequence

>2ofpB (length=294) Species: 83333 (Escherichia coli K-12)

SMKITVLGCGALGQLWLTALCKQGHEVQGWLRVPQPYCSVNLVETDGSIF
NESLTANDPDFLATSDLLLVTLKAWQVSDAVKSLASTLPVTTPILLIHNG
MGTIEELQNIQQPLLMGTTTHAARRDGNVIIHVANGITHIGPARQQDGDY
SYLADILQTVLPDVAWHNNIRAELWRKLAVNCVINPLTAIWNCPNGELRH
HPQEIMQICEEVAAVIEREGHHTSAEDLRDYVMQVIDATAENISSMLQDI
RALRHTEIDYINGFLLRRARAHGIAVPENTRLFEMVKRKESEYE

3D structure

• PDB: 2ofp Crystal Structure of Escherichia coli Ketopantoate Reductase in a Ternary Complex with NADP+ and Pantoate Bound: SUBSTRATE RECOGNITION, CONFORMATIONAL CHANGE, AND COOPERATIVITY.
• Chain: B
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): K176
• Catalytic site (residue number reindexed from 1): K177
• Enzyme Commision number: 1.1.1.169: 2-dehydropantoate 2-reductase.

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	NAP	B	G9 A10 L11 L30 R31 L71 K72 Q75 H97 N98 T118 H120 A121 A122 R253 E256	G10 A11 L12 L31 R32 L72 K73 Q76 H98 N99 T119 H121 A122 A123 R254 E257	MOAD: Kd=9.4uM
BS02	PAF	B	N98 N194 N241 S243 S244	N99 N195 N242 S244 S245	MOAD: Kd=160uM

Gene Ontology

Molecular Function

• GO:0008677 2-dehydropantoate 2-reductase activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0050661 NADP binding

Biological Process

• GO:0015940 pantothenate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2ofp, PDBe:2ofp, PDBj:2ofp
• PDBsum: 2ofp
• PubMed: 17229734
• UniProt: P0A9J4|PANE_ECOLI 2-dehydropantoate 2-reductase (Gene Name=panE)