Structure of PDB 5hxt Chain A Binding Site BS02

Receptor Information

>5hxt Chain A (length=221) Species: 62890 (Solanum habrochaites)

LMPKHIALIMDGNRRWAKDKGLDVSEGYKHLFPKLKEICDISSKLGIQVI
TAFAFSTENWKRAKGEVDFLMQMFEELYDEFSRSGVRVSIIGCKTDLPMT
LQKCIALTEETTKGNKGLHLVIALNYGGYYDILQATKSIVNKAMNGLLDV
EDINKNLFDQELESKCPNPDLLIRTGGDQRVSNFLLWQLAYTEFYFTKTL
FPDFGEEDLKEAIINFQQRHR

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: 5hxt Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hxt Crystal Structure and Potential Head-to-Middle Condensation Function of a Z,Z-Farnesyl Diphosphate Synthase
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): F128 N134 R137 S257
• Binding residue (residue number reindexed from 1): F53 N59 R62 S182
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): D86 Y103 L193
• Catalytic site (residue number reindexed from 1): D11 Y28 L118
• Enzyme Commision number: 2.5.1.92: (2Z,6Z)-farnesyl diphosphate synthase.

Gene Ontology

Molecular Function

• GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

External links

• PDB: RCSB:5hxt, PDBe:5hxt, PDBj:5hxt
• PDBsum: 5hxt
• UniProt: B8XA40|ZFPS_SOLHA (2Z,6Z)-farnesyl diphosphate synthase, chloroplastic (Gene Name=ZFPS)