Structure of PDB 1ef0 Chain B Binding Site BS01

Receptor Information
>1ef0 Chain B (length=394) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLEGAFAKGTNVLMADGSIECIENIEVGNKVMGKDGRPREVIKLPRGRET
MYSVVQKSLKFTCNATHELVVRTPRSVRRLSRVEYFEVITFEMGQKKAPD
GRIVELVKEVSKSYPISEGPERANELVESYRKASNKAYFEWTIEARDLSL
LGSHVRKATYQTYAPILYENDHFFDYMQKVLAYLLGLWIGDGLSDRATFS
VDSRDTSLMERVTEYAEKLNLCAEYKDRKEPQVAKTVNLYSGLGFLKDGV
KNIPSFLSTDNIGTRETFLAGLIDSDGYVTDEHGIKATIKTIHTSVRDGL
VSLARSLGLVVSVNISYAIYMSGGDVLLNVLSKCAGSKKFRPAPAAAFAR
ECRGFYFELQELKEDDYYGITLSDDSDHQFLLANQVVVHACGER
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1ef0 Chain B Residue 701 [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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PDB1ef0 Structural insights into the protein splicing mechanism of PI-SceI.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		E80 H453 C455
Binding residue
(residue number reindexed from 1)		E68 H389 C391
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) A1 N76 T78 H79 K301 K403 G433 I434 A454
Catalytic site (residue number reindexed from 1) A5 N64 T66 H67 K251 K339 G369 I370 A390
Enzyme Commision number 3.1.-.-
7.1.2.2: H(+)-transporting two-sector ATPase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004519 endonuclease activity
Biological Process
GO:0016539 intein-mediated protein splicing
GO:0030908 protein splicing

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Molecular Function
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Biological Process
External links
PDB RCSB:1ef0, PDBe:1ef0, PDBj:1ef0
PDBsum1ef0
PubMed10828056
UniProtP17255|VATA_YEAST V-type proton ATPase catalytic subunit A (Gene Name=VMA1)

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