Structure of PDB 3ung Chain C Binding Site BS01

Receptor Information
>3ung Chain C (length=548) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVKDPTLLRIKIVPVQPFIANSRKQLDLWASSHLLSMLMYKALEVIVDKF
GPEHVIYPSLRDQPFFLKFYLGENIGDEILVANLPNKALAIVSGKEAEKI
EEEIKKRIRDFLLQLYREAVDWAVENGVVKVDRSEKDSMLKEAYLKIVRE
YFTVSITWVSLAIYPLLVKILDSLGERKVTEEGWKCHVCGENLAIFGDMY
DHDNLKSLWLDEEPLCPMCLIKRYYPVWIRSKTGQKIRFESVVDVALLYK
NWRKIFDEKYGKDLVSKAREVSEDFVKDNMLVDSDLYYSSTWESGLDEEK
VKEVVDFLNAAYKEIGNPPKYYAILVMDGDDMGTPQVHVAISQALANFSI
REVRSVVKDEGLLIYAGGDDVLAILPVDKALEVAYKIRKEFGKSWKLSAG
ILIVHYKHPLYDALEKARDLLNNKAKNVPGKDTLAIGLLKRSGSYYISLV
GWELIRVFYNSELRKKLLGKRFIYHVLREVDTWPKVGIDEMLKFEVIRHI
KEETKELREKIYGEIKDLLEHVRGNNEVEKVRGLFTFLKIITDAEVFP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3ung Chain C Residue 901 [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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PDB3ung Structure of the Cmr2 Subunit of the CRISPR-Cas RNA Silencing Complex.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		D600 D673 D674
Binding residue
(residue number reindexed from 1)		D328 D369 D370
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3ung, PDBe:3ung, PDBj:3ung
PDBsum3ung
PubMed22405013
UniProtQ8U1S6|CMR2_PYRFU CRISPR system Cmr subunit Cmr2 (Gene Name=cmr2)

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