Structure of PDB 7mi4 Chain A Binding Site BS03

Receptor Information
>7mi4 Chain A (length=554) Species: 243231 (Geobacter sulfurreducens PCA) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGSIPLIPVRMLNEHVYCPRLAYLMWVQGEFSHNEFTVDGVIRHRRVDAG
GGVLPSETQEDSRIHARSVSLSSERLGITAKIDLVEGEGAYVSPVDYKRG
KRPHVAGGAYEPERVQLCAQGLLLREHGFASDGGALYFVASRERVPVAFD
DELIGRTLAAIDEMGRTALSGTMPPPLEDSPKCPRCSLVGICLPDEVRFL
SHLSVEPRPIIPADGRGLPLYVQSPKAYVRKDGDCLVIEEERVRVAEARL
GETSQVALFGNATLTTAALHECLRREIPVTWLSYGGWFMGHTVSTGHRNV
ETRTYQYQRSFDPETCLNLARRWIVAKIANCRTLLRRNWRGEGDEAKAPP
GLLMSLQDDMRHAMRAPSLEVLLGIEGASAGRYFQHFSRMLRGGDGEGMG
FDFTTRNRRPPKDPVNALLSFAYAMLTREWTVALAAVGLDPYRGFYHQPR
FGRPALALDMMEPFRPLIADSTVLMAINNGEIRTGDFVRSAGGCNLTDSA
RKRFIAGFERRMEQEVTHPIFKYTISYRRLLEVQARLLTRYLSGEIPAYP
NFVT
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 chain7mi4 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mi4 Mechanism for Cas4-assisted directional spacer acquisition in CRISPR-Cas.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		C22 L25 L181 C187 C190 C196 P198
Binding residue
(residue number reindexed from 1)		C18 L21 L177 C183 C186 C192 P194
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
3.1.12.1: 5' to 3' exodeoxyribonuclease (nucleoside 3'-phosphate-forming).
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0004519 endonuclease activity
GO:0004527 exonuclease activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0043571 maintenance of CRISPR repeat elements
GO:0051607 defense response to virus

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Molecular Function
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Biological Process
External links
PDB RCSB:7mi4, PDBe:7mi4, PDBj:7mi4
PDBsum7mi4
PubMed34588691
UniProtQ74H36|CS4F1_GEOSL CRISPR-associated exonuclease Cas4/endonuclease Cas1 fusion (Gene Name=cas4-cas1)

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