Structure of PDB 1vha Chain D Binding Site BS01

Receptor Information

>1vha Chain D (length=152) Species: 727 (Haemophilus influenzae)

SLIRIGHGFDVHAFGEDRPLIIGGVEVPYHTGFIAHSDGDVALHALTDAI
LGAAALGDIGKLFPNADSRGLLREAFRQVQEKGYKIGNVDITIIAQAPKM
RPHIDAMRAKIAEDLQCDIEQVNVKATTTEKLGFTGRQEGIACEAVALLI
RQ

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 1vha Chain D Residue 170

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1vha Structural analysis of a set of proteins resulting from a bacterial genomics project
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): G139 F140 R143
• Binding residue (residue number reindexed from 1): G133 F134 R137
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.6.1.12: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase.

Gene Ontology

Molecular Function

• GO:0008685 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0016114 terpenoid biosynthetic process
• GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway

External links

• PDB: RCSB:1vha, PDBe:1vha, PDBj:1vha
• PDBsum: 1vha
• PubMed: 16021622
• UniProt: P44815|ISPF_HAEIN 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (Gene Name=ispF)