Structure of PDB 5ks8 Chain D Binding Site BS03

Receptor Information

>5ks8 Chain D (length=580) Species: 265072 (Methylobacillus flagellatus KT)

AKVHVTDVVLRDGHQSLIATRMRTDDMLPICSKLDAVGYWSLEAWGGATF
DACVRYLREDPWERLKKLRKALPNSRLQMLLRGQNLLGYRHYSDDVVRAF
VQKSADNGIDVFRIFDAMNDLRNLKVSIESVKAVGKHAEGTISYTTSPVH
DIPYFVNLAKELESFGCDTIAIKDMASLLTPQVTGDLVKALREAVSLPIH
LHAHATSGLASMSIQRAVDNGVAIVDGCISSFAEGASLPATESIVAALKG
TEYDTGLDIGLLQEISAYFREVRKKYWQFESEFTGVDTRVLVNQVPGGMI
SNLSNQLKEQGALDRMDAVLDEIPRVREDLGYPPLVTPTSQIVGTQAVLN
VMTGARYKSVTNEVKNYLLGHYGKAPSTVNPDVRNLAVGNAQVIECRPAD
LLTAEMEKLRNEVEGLAASAADVLTYAMFPDLAKTFLQERNAGSLKPEPL
LDKEAVTSRESHSRFAPTEFNVTLHGETFHIKLTPFYVSVDGVTEEVVVE
ILNRPRPTHAGCVTTAMPGTIVDVKVNVGDKVSAGDAVLVIEAMKMENEI
QASKSGVVVAINVKKGDSVTPDEALLEIQP

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: 5ks8 Chain D Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ks8 A distinct holoenzyme organization for two-subunit pyruvate carboxylase.
• Resolution: 3.01 Å
• Binding residue (original residue number in PDB): D13 K174 H203 H205
• Binding residue (residue number reindexed from 1): D12 K173 H202 H204
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D13 D117 K174 H203 H205
• Catalytic site (residue number reindexed from 1): D12 D116 K173 H202 H204

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004736 pyruvate carboxylase activity
• GO:0008948 oxaloacetate decarboxylase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006814 sodium ion transport

External links

• PDB: RCSB:5ks8, PDBe:5ks8, PDBj:5ks8
• PDBsum: 5ks8
• PubMed: 27708276
• UniProt: Q1H157