Structure of PDB 3std Chain C Binding Site BS01

Receptor Information

>3std Chain C (length=162) Species: 148305 (Pyricularia grisea)

GEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLW
EAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRV
PHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDF
DRIFEDGRETFG

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3std Chain C Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3std Structure-based design of potent inhibitors of scytalone dehydratase: displacement of a water molecule from the active site.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): R51 D55
• Binding residue (residue number reindexed from 1): R43 D47
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y30 D31 Y50 H85 H110
• Catalytic site (residue number reindexed from 1): Y22 D23 Y42 H77 H102
• Enzyme Commision number: 4.2.1.94: scytalone dehydratase.

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0030411 scytalone dehydratase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006582 melanin metabolic process
• GO:0042438 melanin biosynthetic process

Cellular Component

• GO:0005575 cellular_component
• GO:0005768 endosome

External links

• PDB: RCSB:3std, PDBe:3std, PDBj:3std
• PDBsum: 3std
• PubMed: 9922139
• UniProt: P56221|SCYD_PYRO7 Scytalone dehydratase (Gene Name=SDH1)