Structure of PDB 7ap1 Chain A Binding Site BS02

Receptor Information
>7ap1 Chain A (length=421) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLDPNLLRTEPDAVAEKLARRGFKLDVDKLRALEERRKVLQVQTENLQAE
RNSRSKSIGQAKADIEPLRLEVNKLGEQLDAAKSELETLLAEIRDIALAI
PNIPHDDVPVGRDENDNVEVSRWGTPRQFDFEVRDHVTLGEMHGGLDFAA
AVKLTGSRFVVMKGQLARLHRALAQFMLDLHTEQHGYSENYVPYLVNQDT
LYGTGQLPKFAGDLFHTRPLEEEADSSNYALIPTAEVPLTNLVRDEIIDE
DDLPIKMTAHTPCFRSEDTRGLIRMHQFDKVEMVQIVRPEDSMAALEEMT
GHAEKVLQLLGLPYRKVALCTGDMGFSACKTYDLEVWVPAQNTYREISSC
SNVWDFQARRMQARCRSKSDKKTRLVHTLNGSGLAVGRTLVALMENYQQA
DGRIEIPEVLRPYMRGLEYIG
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 chain7ap1 Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ap1 Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		E239 N389
Binding residue
(residue number reindexed from 1)		E236 N380
Annotation score1
Enzymatic activity
Enzyme Commision number 6.1.1.11: serine--tRNA ligase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004812 aminoacyl-tRNA ligase activity
GO:0004828 serine-tRNA ligase activity
GO:0005524 ATP binding
Biological Process
GO:0006412 translation
GO:0006418 tRNA aminoacylation for protein translation
GO:0006434 seryl-tRNA aminoacylation
GO:0016260 selenocysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ap1, PDBe:7ap1, PDBj:7ap1
PDBsum7ap1
PubMed33081246
UniProtA6T6Z0|SYS_KLEP7 Serine--tRNA ligase (Gene Name=serS)

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