Structure of PDB 3ivd Chain B Binding Site BS01

Receptor Information

>3ivd Chain B (length=499) Species: 217992 (Escherichia coli O6)

AKDVTIIYTNDLHAHVEPYKVPWIADGKRDIGGWANITTLVKQEKAKNKA
TWFFDAGDYFTGPYISSLTKGKAIIDIMNTMPFDAVTIGNHEFDHGWDNT
LLQLSQAKFPIVQGNIFYQNSSKSFWDKPYTIIEKDGVKIGVIGLHGVFA
FNDTVSAATRVGIEARDEIKWLQRYIDELKGKVDLTVALIHEGVPARQSS
MGGTDVRRALDKDIQTASQVKGLDILITGHAHVGTPEPIKVGNTLILSTD
SGGIDVGKLVLDYKEKPHNFTVKNFELKTIYADEWKPDQQTKQVIDGWNK
KLDEVVQQTVAQSPVELKRAYGESASLGNLAADALLAAAGKNTQLALTNS
GGIRNEIPAGAITMGGVISTFPFPNELVTMELTGKQLRSLMEHGASLSNG
VLQVSKGLEMKYDSSKPVGQRVITLTLNGKPIEDATVYHIATQSFLADGG
DGFTAFTEGKARNITGGYYVYHAVVDYFKAGNTITDEQLNGMRVKDIKE

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 3ivd Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ivd Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Uridine
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D79 N111 H212 H251
• Binding residue (residue number reindexed from 1): D58 N90 H191 H230
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D32 H34 D79 N111 H112 D115 H212 H251 H253 Y342 R375
• Catalytic site (residue number reindexed from 1): D11 H13 D58 N90 H91 D94 H191 H230 H232 Y321 R354

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016787 hydrolase activity
• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0009166 nucleotide catabolic process

External links

• PDB: RCSB:3ivd, PDBe:3ivd, PDBj:3ivd
• PDBsum: 3ivd
• UniProt: A0A0H2VD83