Structure of PDB 6cr0 Chain A Binding Site BS01

Receptor Information

>6cr0 Chain A (length=430) Species: 879274 (Shinella sp. HZN7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IYDAIVVGAGFSGLVAARELSAQGRSVLIIEARHRLGGRTHVVNFLGRPV
EIGGAGVHWCQPHVFAEMQRYGFGFKEAPLADLDKAYMVFADGQKIDVPP
ATFDEEYTTAFEKFCSRSRELFPRPYSPLDNHEVSNLDGVSARDHLESLG
LNELQLASMNAELTLYGGAPTTELSYPSFVKFHALASWDTITFTDSEKRY
HVQGGTNALCQAIFDDCRADSEFGVPVEAVAQTDNGVTVTLADKRVFRAL
TCVLTLPTKVYADVRFEPPLPPEKRAFIEHAEMADGAELYVHVRQNLGNT
FTFCDDPNPFNAVQTYAYDDELGTILKITIGRQSLINLENFDAIAAEIRK
IHGDVEVLEALPYNWAMDEYARTSYPAMRKGWFSRYKDMAKPENRLFFAG
SATADGWHEYIDGAIESGIRVGREIRHFMK

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

6cr0 Chain A 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	6cr0 Improving the kinetic parameters of nicotine oxidizing enzymes by homologous structure comparison and rational design
Resolution	1.548 Å
Binding residue (original residue number in PDB)	D86 D88
Binding residue (residue number reindexed from 1)	D82 D84
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.5.3.5: (S)-6-hydroxynicotine oxidase.

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0016491	oxidoreductase activity
GO:0018531	(S)-6-hydroxynicotine oxidase activity

	Biological Process
GO:0009820	alkaloid metabolic process
GO:0019608	nicotine catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:6cr0, PDBe:6cr0, PDBj:6cr0
PDBsum	6cr0
PubMed
UniProt	A0A075BSX9\|HLNO_SHIS7 (S)-6-hydroxynicotine oxidase (Gene Name=nctB)

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