Structure of PDB 5hmd Chain B Binding Site BS01

Receptor Information

>5hmd Chain B (length=455) Species: 43663 (Paenarthrobacter aurescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RMILIRGLTRVITFDDQERELEDADILIDGPKIVAVGKNLSDRSVSRTID
GRGMIALPGLINSHQHLYEGAMRAIPQLERVTMASWLEGVLTRSAGWWRD
GKFGPDVIREVARAVLLESLLGGITTVADQHPFFPGATADSYIDATIEAA
TDLGIRFHAVRSSMTLGKSEGGFCDDLFVEPVDRVVQHCLGLIDQYHEPE
PFGMVRIALGPCGVPHDKPELFEAFAQMAADYDVRLHTHFYQPLDAGMSD
HLYGMTPWRFLEKHGWASDRVWLAHAVVPPREEIPEFADAGVAIAHLIAP
DLRLGWGLAPIREYLDAGITVGFGTTGSASNDGGNLLGDLRLAALAHRPA
DPNEPEKWLSARELLRMATRGSAECLGRPDLGVLEEGRAADIACWRLDGV
DRVGVHDPAIGLIMTGLSDRASLVVVNGQVLVENERPVLADLERIVANTT
ALIPK

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

5hmd 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	5hmd Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	H63 H65 H238
Binding residue (residue number reindexed from 1)	H64 H66 H239
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.8.1.8: atrazine chlorohydrolase.

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0016810	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:5hmd, PDBe:5hmd, PDBj:5hmd
PDBsum	5hmd
PubMed	27768291
UniProt	A1RCJ9

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