Structure of PDB 6ltu Chain A Binding Site BS05

Receptor Information
>6ltu Chain A (length=1034) Species: 32644 (unidentified) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMSSAIKSYKSVLRPNERKNQLLKSTIQCLEDGSAFFFKMLQGLFGGITP
EIVRFSTEQEKQQQDIALWCAVNWFRPVSQDSLTHTIASDNLVEKFEEYY
GGTASDAIKQYFSASIGESYYWNDCRQQYYDLCRELGVEVSDLTHDLEIL
CREKCLAVATESNQNNSIISVLFGTGEKEDRSVKLRITKKILEAISNLKE
IPKNVAPIQEIILNVAKATKETFRQVYAGNLGAPSTLEKFIAKDGQKEFD
LKKLQTDLKKVIRGKSKERDWCCQEELRSYVEQNTIQYDLWAWGEMFNKA
HTALKIKSTRNYNFAKQRLEQFKEIQSLNNLLVVKKLNDFFDSEFFSGEE
TYTICVHHLGGKDLSKLYKAWEDDPADPENAIVVLCDDLKNNFKKEPIRN
ILRYIFTIRQECSAQDILAAAKYNQQLDRYKSQKANPSVLGNQGFTWTNA
VILPEKAQRNDRPNSLDLRIWLYLKLRHPDGRWKKHHIPFYDTRFFQEIY
AAGNSPVDTCQFRTPRFGYHLPKLTDQTAIRVNKKHVKAAKTEARIRLAI
QQGTLPVSNLKITEISATINSKGQVRIPVKFDVGRQKGTLQIGDRFCGYD
QNQTASHAYSLWEVVKEGQYHKELGCFVRFISSGDIVSITENRGNQFDQL
SYEGLAYPQYADWRKKASKFVSLWQITKKNKKKEIVTVEAKEKFDAICKY
QPRLYKFNKEYAYLLRDIVRGKSLVELQQIRQEIFRFIEQDCGVTRLGSL
SLSTLETVKAVKGIIYSYFSTALNASKNNPISDEQRKEFDPELFALLEKL
ELIRTRKKKQKVERIANSLIQTCLENNIKFIRGEGDLSTTNNATKKKANS
RSMDWLARGVFNKIRQLAPMHNITLFGCGSLYTSHQDPLVHRNPDKAMKC
RWAAIPVKDIGDWVLRKLSQNLRAKNIGTGEYYHQGVKEFLSHYELQDLE
EELLKWRSDRKSNIPCWVLQNRLAEKLGNKEAVVYIPVRGGRIYFATHKV
ATGAVSIVFDQKQVWVCNADHVAAANIALTVKGI
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 chain6ltu Chain A Residue 1101 [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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PDB6ltu Structural basis for two metal-ion catalysis of DNA cleavage by Cas12i2.
Resolution2.57 Å
Binding residue
(original residue number in PDB)
D599 N601 D1019
Binding residue
(residue number reindexed from 1)
D600 N602 D1020
Annotation score4
External links