Structure of PDB 3fyo Chain D Binding Site BS02

Receptor Information

>3fyo Chain D (length=261) Species: 491 (Neisseria meningitidis serogroup B)

MDIKINDITLGNNSPFVLFGGICVLESLDSTLQTCAHYVEVTRKLGIPYI
FKASFDKANRSSIHSYRGVGLEEGLKIFEKVKAEFGIPVITDVHEPHQCQ
PVAEVCDVIQLPAFLARQTDLVVAMAKTGNVVNIKKPQFLSPSQMKNIVE
KFHEAGNGKLILCERGSSFGYDNLVVDMLGFGVMKQTCGNLPVIFDVTHS
LQTRRAQALDLALAGMATRLAGLFLESHPCEGASALPLHLLEDFLIRIKA
LDDLIKSQPIL

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: 3fyo Chain D Residue 282

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3fyo Reversing evolution: re-establishing obligate metal ion dependence in a metal-independent KDO8P synthase
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): C23 H199 E236
• Binding residue (residue number reindexed from 1): C23 H199 E226
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.55: 3-deoxy-8-phosphooctulonate synthase.

Gene Ontology

Molecular Function

• GO:0008676 3-deoxy-8-phosphooctulonate synthase activity
• GO:0016740 transferase activity

Biological Process

• GO:0009058 biosynthetic process
• GO:0009103 lipopolysaccharide biosynthetic process
• GO:0019294 keto-3-deoxy-D-manno-octulosonic acid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3fyo, PDBe:3fyo, PDBj:3fyo
• PDBsum: 3fyo
• PubMed: 19447118
• UniProt: Q9JZ55|KDSA_NEIMB 2-dehydro-3-deoxyphosphooctonate aldolase (Gene Name=kdsA)