Structure of PDB 9baq Chain A Binding Site BS06

Receptor Information

>9baq Chain A (length=1001) Species: 5141 (Neurospora crassa)

KHITVDLPVSTLINPRSTFQRIDENDNLVPPPQSTPERVAVEDLLKAAKA
AGKNKEDYIEFELHDFNFYVNYAYHPQEMRPIQLVATKVLHDKYYFDGVL
KYGNTKHYVTGMQVLELPVGNYGASLHSVKGQIWVRSKHNAKKEIYYLLK
KPAFEYQRYYQPFLWIADLGKHVVDYCTRMVERKREVTLGCFKSDFIQWA
SKAHGKSKAFQNWRAQHPSDDFRTSVAANIGYIWKEINGVAGAKRAAGDQ
LFRELMIVKPGQYFRQEVPPGPVVTEGDRTVAATIVTPYIKECFGHMILG
KVLRLAGEDAKYLSQELVNKIKVGDVISTPRDDSSNTDTKWKPTDTDDHR
WFGLVQRVHTASKSFDVIWFYRPEDTPCCAMKYKWRNELFLSNHCTCQEG
HHARVKGNEVLAVHPVDWFGTPESNKGEFFVRQLYESEQRRWITLQKDHL
TCYHNQPPKPPTAPYKPGDTVLATLSPSDKFSDPYEVVEYFTQGEKETAF
VRLRKLLRRRKVDRQDAPANELVYTEDLVDVRAERIVGKCIMRCFRPDER
VPSPYDRGGTGNMFFITHRQDHGRCVPLDTLPPTLRQGFNPLGNLGKPKL
RGMDLYCGGGNFGRGLEEGGVVEMRWANDIWDKAIHTYMANTPDPNKTNP
FLGSVDDLLRLALEGKFSDNVPRPGEVDFIAAGSPCPGFSLLTQDKKVLN
QVKNQSLVASFASFVDFYRPKYGVLENVSGIVQTFVNRKQDVLSQLFCAL
VGMGYQAQLILGDAWAHGAPQSRERVFLYFAAPGLPLPDPPLPSHSHYRV
KNRNIGFLCNGESYVQRSFIPTAFKFVSAGEGTADLPKIGDGKPDACVRF
PDHRLASGITPYIRAQYACIPTHPYGMNFIKAWNNGNGVMSKSDRDLFPS
EGKTRTSDASVGWKRLNPKTLFPTVTTTSNPSDARMGPGLHWDEDRPYTV
QEMRRAQGYLDEEVLVGRTTDQWKLVGNSVSRHMALAIGLKFREAWLGTL
Y

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 9baq Chain A Residue 1302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9baq CryoEM structure of DIM2-HP1-H3K9me3-DNA complex
• Resolution: 2.79 Å
• Binding residue (original residue number in PDB): C635 C637 H694
• Binding residue (residue number reindexed from 1): C395 C397 H454
• Annotation score: 4

External links

• PDB: RCSB:9baq, PDBe:9baq, PDBj:9baq
• PDBsum: 9baq
• UniProt: Q96W73