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Receptor Information

>5ysh Chain J (length=551) Species: 571 (Klebsiella oxytoca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MRSKRFEALAKRPVNQDGFVKEWIEEGFIAMESPNDPKPSIKIVNGAVTE
LDGKPVSDFDLIDHFIARYGINLNRAEEVMAMDSVKLANMLCDPNVKRSE
IVPLTTAMTPAKIVEVVSHMNVVEMMMAMQKMRARRTPSQQAHVTNVKDN
PVQIAADAAEGAWRGFDEQETAVAVARYAPFNAIALLVGSQVGRPGVLTQ
CSLEEATELKLGMLGHTCYAETISVYGTEPVFTDGDDTPWSKGFLASSYA
SRGLKMRFTSGSGSEVQMGYAEGKSMLYLEARCIYITKAAGVQGLQNGSV
SCIGVPSAVPSGIRAVLAENLICSSLDLECASSNDQTFTHSDMRRTARLL
MQFLPGTDFISSGYSAVPNYDNMFAGSNEDAEDFDDYNVIQRDLKVDGGL
RPVREEDVIAIRNKAARALQAVFAGMGLPPITDEEVEAATYAHGSKDMPE
RNIVEDIKFAQEIINKNRNGLEVVKALAQGGFTDVAQDMLNIQKAKLTGD
YLHTSAIIVGDGQVLSAVNDVNDYAGPATGYRLQGERWEEIKNIPGALDP
N

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

5ysh Chain J Residue 601 [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	5ysh Direct Participation of a Peripheral Side Chain of a Corrin Ring in Coenzyme B12Catalysis.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	Q141 E170 E221 Q296 S362
Binding residue (residue number reindexed from 1)	Q141 E170 E221 Q296 S362
Annotation score	1

Enzyme Commision number

4.2.1.28: propanediol dehydratase.

	Molecular Function
GO:0003824	catalytic activity
GO:0016829	lyase activity
GO:0016836	hydro-lyase activity
GO:0031419	cobalamin binding
GO:0046872	metal ion binding
GO:0050215	propanediol dehydratase activity

PDB	RCSB:5ysh, PDBe:5ysh, PDBj:5ysh
PDBsum	5ysh
PubMed	29797764
UniProt	Q59470

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Structure of PDB 5ysh Chain J Binding Site BS01