Structure of PDB 1lws Chain A Binding Site BS04

Receptor Information
>1lws Chain A (length=427) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CFAKGTNVLMADGSIECIENIEVGNKVMGKDGRPREVIKLPRGRETMYSV
VQKSQHRAHKSDSSREVPELLKFTCNATHELVVRTPRSVRRLSRTIKGVF
EVITFEMGQKKAPDGRIVELVKEVSKSYPISPERANELVESYRKASNKAY
FEWTIEARDLSLLGSHVRKATYQTYAPILYENDHFFDYMQKSKFHLTIEG
PKVLAYLLGLWIGDGLSDRATFSVDSRDTSLMERVTEYAEKLNLCAVAKT
VNLYSENPLWDAIVGLGFLKDGVKNIPSFLSTDNIGTRETFLAGLIDSDG
YVTDEHGIKATIKTIHTSVRDGLVSLARSLGLVVSVNAEPAKVDMNGTKH
KISYAIYMSGGDVLLNVLSKCAGSKKFRPAPAAAFARECRGFYFELQELK
EDDYYGITLSDDSDHQFLLANQVVVHN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1lws Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lws Crystal structure of the intein homing endonuclease PI-SceI bound to its recognition sequence.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		D218 S325 D326
Binding residue
(residue number reindexed from 1)		D214 S298 D299
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1 N76 T78 H79 K301 K403 G433 I434 N454
Catalytic site (residue number reindexed from 1) C1 N76 T78 H79 K274 K376 G406 I407 N427
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:1lws, PDBe:1lws, PDBj:1lws
PDBsum1lws
PubMed12219083
UniProtP17255|VATA_YEAST V-type proton ATPase catalytic subunit A (Gene Name=VMA1)

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