Structure of PDB 6kc0 Chain A Binding Site BS03

Receptor Information
>6kc0 Chain A (length=674) Species: 83332,523850 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEIDELTALGGLLHDIGKPVQRAGLYSGDHSTQGARFLRDLAENTGRAEY
ELLSLFSEFHNDELMIRRIKELSPERFGLTMEDVLNALWIVYEADNLAPQ
ASRPLYSVFNPGKAYPWAELDFEKELPVPGDVFSIRSQDYRELVKRLWEE
LSKAKLRSDRLLPVLEKYLTFVSSVTSEGNIISLYDHMRMTSAIALAMLR
AGCTAEDVRSGRCRKEKRFLLIEGDFSGIQDFIYRVSGKGTLKYLRARSA
YLELIGWDVVLEILSRLGLTRANVVFNAGGHFMIIAQNTPDAVKELEEIR
AKAVEWLYREFESDLYLAIEWEPVSGREFGREGGKNLFAEARKRLKHKLT
VRKLKRFCPVCGRCPTCNRLVSLGGNLPKLLGFGRTAKNDAGVLVEGPFS
GFVPYLQGGRPVGEQILVKNTLNPGEIPESAQFVPYFVADYFKARLGVLR
LDVDNLGQAFTHGFGKFNTISRTAAFSRMLSLFFRQHINYVLARPKLRPI
TGDDPARPREATIIYSGGDDVFVVGAWDDVIEFGIELRERFHEFTQGKLT
VSAGIGMFPDKYPISVMAREVGDLEDAAKSLPGKNGVALFDREFTFGWDE
LLSKVIEEKYRHIADYFSGNEERGMAFIYKLLEWVYFLTPFQQFANRLHQ
WFQDPTDAKQLKTALHLYIYRTRK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6kc0 Chain A Residue 903 [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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PDB6kc0 Mycobacterium tuberculosis CRISPR/Cas system Csm1 holds clues to the evolutionary relationship between DNA polymerase and cyclase activity.
Resolution2.295 Å
Binding residue
(original residue number in PDB)		D555 V556 D627
Binding residue
(residue number reindexed from 1)		D452 V453 D519
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.-
3.1.-.-
External links
PDB RCSB:6kc0, PDBe:6kc0, PDBj:6kc0
PDBsum6kc0
PubMed33352158
UniProtB6YWB8|CAS10_THEON CRISPR system single-strand-specific deoxyribonuclease Cas10/Csm1 (subtype III-A) (Gene Name=csm1);
P71629

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