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BioLiP

Structure of PDB 9f6e Chain A Binding Site BS03

Receptor Information
>9f6e Chain A (length=1140) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSVSALKRLERSQWTDKMDLRFGFERLKEPGEKTGWLINMHPTEILDEDK
RLGSAVDYYFIQDDGSRFKVALPYKPYFYIATRKGCEREVSSFLSKKFQG
KIAKVETVPKEDLDLPNHLVGLKRNYIRLSFHTVEDLVKVRKEISPAVKK
NREQDDQLDNIVDMREYDVPYHIRLSIDLKIHVAHWYNVRYRGNAFPVEI
TRRDDLVERPDPVVLAFAIATTKLPLKFPDAETDQIMMISYMIDGQGYLI
TNREIVSEDIEDFEFTPKPEYEGPFCVFNEPDEAHLIQRWFEHVQETKPT
IMVTYNGDFFDWPFVEARAAVHGLSMQQEIGFQKDSQGEYKAPQCIHMDC
LRWVKRDSYLPVGSHNLKAAAKAKLGYDPVELDPEDMCRMATEQPQTLAT
YSVSDAVATYYLYMKYVHPFIFALCTIIPMEPDEVLRKGSGTLCEALLMV
QAFHANIIFPNKQEQEFNKLTDDGHVLDSETYVGGHVEALESGVFRSDIP
CRFRMNPAAFDFLLQRVEKTLRHALEEEEKVPVEQVTNFEEVCDEIKSKL
ASLKDVPSRIECPLIYHLDVGAMYPNIILTNRLQPSAMVDEATCAACDFN
KPGANCQRKMAWQWRGEFMPASRSEYHRIQHQLESEKFPPLFPEGPARAF
HELSREEQAKYEKRRLADYCRKAYKKIHITKVEERLTTICQRENSFYVDT
VRAFRDRRYEFKGLHKVWKKKLSAAVEVGDAAEVKRCKNMEVLYDSLQLA
HKCILNSFYGYVMRKGARWYSMEMAGIVCFTGANIITQARELIEQIGRPL
ELDTDGIWCVLPNSFPENFVFKTTNVKKPKVTISYPGAMLNIMVKEGFTN
DQYQELAEPSSLTYVTRSENSIFFEVDGPYLAMILPASKEEGKKLKKRYA
VFNEDGSLAELKGFEVKRRGELQLIKIFQSSVFEAFLKGSTLEEVYGSVA
KVADYWLDVLYSKAANMPDSELFELISENRSMSRKLEDYGEQKSTSISTA
KRLAEFLGDQMVKDAGLSCRYIISRKPEGSPVTERAIPLAIFQAEPTVRK
HFLRKWLKSSSLQDFDIRAILDWDYYIERLGSAIQKIITIPAALQQVKNP
VPRVKHPDWLHKKLLEKNDVYKQKKISELFTLEGRRQVTM
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain9f6e Chain A Residue 1301 [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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PDB9f6e Structural basis for processive daughter-strand synthesis and proofreading by the human leading-strand DNA polymerase Pol epsilon.
Resolution3.74 Å
Binding residue
(original residue number in PDB)		C651 C654 N657 C663 C747
Binding residue
(residue number reindexed from 1)		C594 C597 N600 C606 C690
Annotation score1
External links
PDB RCSB:9f6e, PDBe:9f6e, PDBj:9f6e
PDBsum9f6e
PubMed39112807
UniProtQ07864|DPOE1_HUMAN DNA polymerase epsilon catalytic subunit A (Gene Name=POLE)

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