Structure of PDB 3ive Chain A Binding Site BS01

Receptor Information

>3ive Chain A (length=495) Species: 217992 (Escherichia coli O6)

AKDVTIIYTNDLHAHVEPYKVPWIADGKRDIGGWANITTLVKQEKAKNKA
TWFFDAGDYFTGPYISSLTKGKAIIDIMNTMPFDAVTIGNHEFDHGWDNT
LLQLSQAKFPIVQGNIFYQNSSKSFWDKPYTIIEKDGVKIGVIGLHGVFA
FNDTVSAATRVGIEARDEIKWLQRYIDELKGKVDLTVALIHEGVPARQSS
MDVRRALDKDIQTASQVKGLDILITGHAHVGTPEPIKVGNTLILSTDSGG
IDVGKLVLDYKEKPHNFTVKNFELKTIYADEWKPDQQTKQVIDGWNKKLD
EVVQQTVAQSPVELKRAYGESASLGNLAADALLAAAGKNTQLALTNSGGI
RNEIPAGAITMGGVISTFPFPNELVTMELTGKQLRSLMEHGASLSNGVLQ
VSKGLEMKYDSSKPVGQRVITLTLNGKPIEDATVYHIATQSFLADGGDGF
TAFTEGKARNITGGYYVYHAVVDYFKAGNTITDEQLNGMRVKDIK

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3ive Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ive Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Cytidine
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D32 H34 D79 H253
• Binding residue (residue number reindexed from 1): D11 H13 D58 H229
• 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 H227 H229 Y318 R351

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:3ive, PDBe:3ive, PDBj:3ive
• PDBsum: 3ive
• UniProt: A0A0H2VD83