Structure of PDB 2for Chain B Binding Site BS01

Receptor Information

>2for Chain B (length=281) Species: 623 (Shigella flexneri)

MDFPQQLEACVKQANQALSRFIAPLPFQNTPVVETMQYGALLGGKRLRPF
LVYATGHMFGVSTNTLDAPAAAVECIHAYSLIHDDLPAMDDDDLRRGLPT
CHVKFGEANAILAGDALQTLAFSILSDANMPEVSDRDRISMISELASASG
IAGMCGGQALDLDAEGKHVPLDALERIHRHKTGALIRAAVRLGALSAGDK
GRRALPVLDKYAESIGLAFQVQDDILDVVKSTYPALLGLEQARKKARDLI
DDARQALKQLAEQSLDTSALEALADYIIQRN

Ligand information

• Ligand ID: IPR
• InChI: InChI=1S/C5H14O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h5H,3-4H2,1-2H3,(H,9,10)(H2,6,7,8)
• InChIKey: IPFXNYPSBSIFOB-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)CCOP(=O)(O)OP(=O)(O)O
  CACTVS 3.341: CC(C)CCO[P@](O)(=O)O[P](O)(O)=O
  CACTVS 3.341: CC(C)CCO[P](O)(=O)O[P](O)(O)=O
  ACDLabs 10.04: O=P(OP(=O)(O)O)(OCCC(C)C)O
  OpenEye OEToolkits 1.5.0: CC(C)CCO[P@@](=O)(O)OP(=O)(O)O
• Formula: C5 H14 O7 P2
• Name: ISOPENTYL PYROPHOSPHATE
• DrugBank: DB02508
• ZINC: ZINC000002579357
• PDB chain: 2for Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2for Crystal Structure of the Shigella flexneri Farnesyl Pyrophosphate Synthase Complex with an Isopentenyl Pyrophosphate
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): K45 L47 R48 R95
• Binding residue (residue number reindexed from 1): K45 L47 R48 R95
• Annotation score: 3

Enzymatic activity

• Enzyme Commision number: 2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.

Gene Ontology

Molecular Function

• GO:0004337 geranyltranstransferase activity
• GO:0004659 prenyltransferase activity
• GO:0016740 transferase activity

Biological Process

• GO:0008299 isoprenoid biosynthetic process
• GO:0045337 farnesyl diphosphate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2for, PDBe:2for, PDBj:2for
• PDBsum: 2for
• UniProt: A0A0H2UXE9