Structure of PDB 1yny Chain A Binding Site BS01

Receptor Information

>1yny Chain A (length=455) Species: 301298 (Bacillus sp. AR9)

KKWIRGGTVVTAADTYQADVLIEGERVVAIGHQGAEEIDATGCYVIPGGI
DPHTHLDMPFGGTVTADDFFTGTRAAAFGGTTSIVDFCLTKKGESLKSAI
ATWHEKARGKAVIDYGFHLMIAEANDQVLEELESVISSEGITSLKVFMAY
KNVFQADDETLFKTLVKAKELGALVQVHAENGDVLDYLTKKALAEGNTDP
IYHAYTRPPEAEGEATGRAIALTALAGSQLYVVHVSCASAVQRIAEAREK
GWNVYGETCPQYLALDVSIMDQPDFEGAKYVWSPPLREKWNQEVLWSALK
NGILQTVGSDHCPFNFRGQKELGRGDFTKIPNGGPLIEDRLTILYSEGVR
QGRISLNQFVDISSTKAAKLFGMFPRKGTIAVGSDADIVIFDPHVKRTLS
VETHHMNVDYNPFEGMEVYGEVVSVLSRGSFVVRDKQFVGQAGSGQYIKR
TTFEQ

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: 1yny Chain A Residue 471

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1yny Molecular structure of D-hydantoinase from Bacillus sp. AR9: evidence for mercury inhibition.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H58 H60 D315
• Binding residue (residue number reindexed from 1): H53 H55 D310
• 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:1yny, PDBe:1yny, PDBj:1yny
• PDBsum: 1yny
• PubMed: 15733920
• UniProt: Q5DLU2