Structure of PDB 3skd Chain A Binding Site BS01

Receptor Information
>3skd Chain A (length=230) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMAALALWAKSGNPFHPLLAHMLDTAAVALAVLRMEPPRTRALYAEDWGL
PEEGALAWAAALVGLHDLGKASPVFQAWVAHGVFTELFLRRLLKEKGLPE
RAANDLAAALGAHHGFPANAEEKSRARRHLRTEDPLWKEARRWLLEEVFR
RLGAPLPPARPEAVLRVMALASFADWVASDPSLFPYGRDPRRGDYLKEAL
RLAQEALNRLGWPAFAKAQRREFGELFPYI
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain3skd Chain A Residue 261 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3skd Structural and Biochemical Analysis of Nuclease Domain of Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Protein 3 (Cas3).
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H24 H69 D70 D205
Binding residue
(residue number reindexed from 1)		H21 H66 D67 D175
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
3.6.4.-
External links
PDB RCSB:3skd, PDBe:3skd, PDBj:3skd
PDBsum3skd
PubMed21775431
UniProtQ53VY2|CAS3_THET8 CRISPR-associated endonuclease/helicase Cas3 (Gene Name=cas3)

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