Structure of PDB 1xzw Chain B Binding Site BS02

Receptor Information

>1xzw Chain B (length=426) Species: 4120 (Ipomoea batatas)

LPNAEDVDMPWDSDVFAVPSGYNAPQQVHITQGDYEGRGVIISWTTPYDK
AGANKVFYWSENSKSQKRAMGTVVTYKYYNYTSAFIHHCTIKDLEYDTKY
YYRLGFGDAKRQFWFVTPPKPGPDVPYVFGLIGDIGQTHDSNTTLTHYEQ
NSAKGQAVLFMGDLSYSNRWPNHDNNRWDTWGRFSERSVAYQPWIWTAGN
HEIDYAPDIGEYQPFVPFTNRYPTPHEASGSGDPLWYAIKRASAHIIVLS
SYSGFVKYSPQYKWFTSELEKVNRSETPWLIVLVHAPLYNSYEAHYMEGE
AMRAIFEPYFVYYKVDIVFSGHVHSYERSERVSNVAYNIVNAKCTPVSDE
SAPVYITIGDGGNSEGLASEMTQPQPSYSAFREASFGHGIFDIKNRTHAH
FSWHRNQDGASVEADSLWLLNRYWAS

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: 1xzw Chain B Residue 930

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1xzw Phosphate forms an unusual tripodal complex with the Fe-Mn center of sweet potato purple acid phosphatase
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D663 N700 H785 H822
• Binding residue (residue number reindexed from 1): D163 N200 H285 H322
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D634 D663 Y666 N700 H701 H785 A794 H795 H822 H824
• Catalytic site (residue number reindexed from 1): D134 D163 Y166 N200 H201 H285 A294 H295 H322 H324
• Enzyme Commision number: 3.1.3.2: acid phosphatase.

Gene Ontology

Molecular Function

• GO:0003993 acid phosphatase activity
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1xzw, PDBe:1xzw, PDBj:1xzw
• PDBsum: 1xzw
• PubMed: 15625111
• UniProt: Q9SE00|PPAF1_IPOBA Purple acid phosphatase 1 (Gene Name=PAP1)