Structure of PDB 6g46 Chain C Binding Site BS01

Receptor Information

>6g46 Chain C (length=424) Species: 3885 (Phaseolus vulgaris)

KNRDMPLDSDVFRVPPGYNAPQQVHITQGDLVGRAMIISWVTMDEPGSSA
VRYWSEKNGRKRIAKGKMSTYRFFNYSSGFIHHTTIRKLKYNTKYYYEVG
LRNTTRRFSFITPPQTGLDVPYTFGLIGDLGQSFDSNTTLSHYELSPKKG
QTVLFVGDLSYADRYPNHDNVRWDTWGRFTERSVAYQPWIWTAGNHEIEF
APEINETEPFKPFSYRYHVPYEASQSTSPFWYSIKRASAHIIVLSSYSAY
GRGTPQYTWLKKELRKVKRSETPWLIVLMHSPLYNSYNHHFMEGEAMRTK
FEAWFVKYKVDVVFAGHVHAYERSERVSNIAYKITNGLCTPVKDQSAPVY
ITIGDAGNYGVIDSNMIQPQPEYSAFREASFGHGMFDIKNRTHAHFSWNR
NQDGVAVEADSVWFFNRHWYPVDD

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6g46 Chain C Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6g46 Purple acid phosphatase inhibitors as leads for osteoporosis chemotherapeutics.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): D164 N201 H286 H323
• Binding residue (residue number reindexed from 1): D158 N195 H280 H317
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D135 D164 Y167 N201 H202 H286 H295 H296 H323 H325
• Catalytic site (residue number reindexed from 1): D129 D158 Y161 N195 H196 H280 H289 H290 H317 H319
• Enzyme Commision number: 3.1.3.2: acid phosphatase.

Gene Ontology

Molecular Function

• GO:0003993 acid phosphatase activity
• GO:0008199 ferric iron binding
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:6g46, PDBe:6g46, PDBj:6g46
• PDBsum: 6g46
• PubMed: 30107365
• UniProt: P80366|PPAF_PHAVU Fe(3+)-Zn(2+) purple acid phosphatase