Structure of PDB 1wn1 Chain B Binding Site BS01

Receptor Information
>1wn1 Chain B (length=356) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLEKFIHLLGERGFDGALISPGTNLYYLTGLRLHEVGERLAILAVSAEG
DYRFLAPSLYENVVNNFPATFWHDGENPYAKLREILEELGISKGRILIED
TMRADWLIGIMKLGKFTFQPLSSLIKELRMIKDKEEVKMMEHASRIADKV
FEEILTWDLIGMKERELALKIELLIRELSDGIAFEPIVASGENAANPHHE
PGERKIRKGDIIILDYGARWKGYCSDITRTIGLGELDERLVKIYEVVKDA
QESAFKAVREGIKAKDVDSRAREVISKAGYGEYFIHRTGHGLGLDVHEEP
YIGPDGEVILKNGMTFTIEPGIYVPGLGGVRIEDDIVVDEGKGRRLTKAE
RELIIL
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain1wn1 Chain B Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1wn1 Crystal Structure of Dipeptiase from Pyrococcus Horikoshii OT3
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D226 H290 E319 E333
Binding residue
(residue number reindexed from 1)		D226 H290 E319 E333
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) H198 D215 D226 T228 H286 H290 H297 E319 Y323 R331 E333
Catalytic site (residue number reindexed from 1) H198 D215 D226 T228 H286 H290 H297 E319 Y323 R331 E333
Enzyme Commision number 3.4.-.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1wn1, PDBe:1wn1, PDBj:1wn1
PDBsum1wn1
PubMed
UniProtO58691

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