Structure of PDB 6std Chain B Binding Site BS01

Receptor Information

>6std Chain B (length=164) Species: 148305 (Pyricularia grisea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLW
EAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRV
PHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDF
DRIFEDGRETFGDK

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

6std Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6std High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Resolution	1.8 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

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External links

PDB	RCSB:6std, PDBe:6std, PDBj:6std
PDBsum	6std
PubMed	10382670
UniProt	P56221\|SCYD_PYRO7 Scytalone dehydratase (Gene Name=SDH1)

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