Structure of PDB 4kir Chain A Binding Site BS01

Receptor Information

>4kir Chain A (length=460) Species: 301298 (Bacillus sp. AR9)

KKWIRGGTVVTAADTYQADVLIEGERVVAIGHQLSVNGAEEIDATGCYVI
PGGIDPHTHLDMPFGGTVTADDFFTGTRAAAFGGTTSIVDFCLTKKGESL
KSAIATWHEKARGKAVIDYGFHLMIAEANDQVLEELESVISSEGITSLKV
FMAYKNVFQADDETLFKTLVKAKELGALVQVHAENGDVLDYLTKKALAEG
NTDPIYHAYTRPPEAEGEATGRAIALTALAGSQLYVVHVSCASAVQRIAE
AREKGWNVYGETCPQYLALDVSIMDQPDFEGAKYVWSPPLREKWNQEVLW
SALKNGILQTVGSDHCPFNFRGQKELGRGDFTKIPNGGPLIEDRLTILYS
EGVRQGRISLNQFVDISSTKAAKLFGMFPRKGTIAVGSDADIVIFDPHVK
RTLSVETHHMNVDYNPFEGMEVYGEVVSVLSRGSFVVRDKQFVGQAGSGQ
YIKRTTFEQP

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4kir Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• 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 K150 H183 H239
• Binding residue (residue number reindexed from 1): H57 K149 H182 H238
• 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

External links

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