Structure of PDB 4kir Chain A Binding Site BS02

Receptor Information

>4kir Chain A (length=460) Species: 301298 (Bacillus sp. AR9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KKWIRGGTVVTAADTYQADVLIEGERVVAIGHQLSVNGAEEIDATGCYVI
PGGIDPHTHLDMPFGGTVTADDFFTGTRAAAFGGTTSIVDFCLTKKGESL
KSAIATWHEKARGKAVIDYGFHLMIAEANDQVLEELESVISSEGITSLKV
FMAYKNVFQADDETLFKTLVKAKELGALVQVHAENGDVLDYLTKKALAEG
NTDPIYHAYTRPPEAEGEATGRAIALTALAGSQLYVVHVSCASAVQRIAE
AREKGWNVYGETCPQYLALDVSIMDQPDFEGAKYVWSPPLREKWNQEVLW
SALKNGILQTVGSDHCPFNFRGQKELGRGDFTKIPNGGPLIEDRLTILYS
EGVRQGRISLNQFVDISSTKAAKLFGMFPRKGTIAVGSDADIVIFDPHVK
RTLSVETHHMNVDYNPFEGMEVYGEVVSVLSRGSFVVRDKQFVGQAGSGQ
YIKRTTFEQP

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

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

Formula

Name

MANGANESE (II) ION

PDB chain

4kir Chain A Residue 502 [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	4kir Crystal Structure of D-Hydantoinase from Bacillus sp. AR9 in C2221 space group
Resolution	2.8 Å
Binding residue (original residue number in PDB)	H58 H60 D315
Binding residue (residue number reindexed from 1)	H57 H59 D314
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.5.2.2: dihydropyrimidinase.

Gene Ontology

	Molecular Function
GO:0004157	dihydropyrimidinase activity
GO:0016787	hydrolase activity
GO:0016810	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872	metal ion binding

	Cellular Component
GO:0005737	cytoplasm

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Molecular Function

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Cellular Component

External links

PDB	RCSB:4kir, PDBe:4kir, PDBj:4kir
PDBsum	4kir
PubMed
UniProt	Q5DLU2

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