Structure of PDB 6xux Chain A Binding Site BS01

Receptor Information
>6xux Chain A (length=879) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VQLVESGGGLVKEETQSGLNNYARVVEKGQYDSLEIPAQVAASWESGRDD
AAVFGFIDKEQLDKYVANGGKRSDWTVKFAENRSQDGTLLGYSLLQESVD
QASYMYSDNHYLAEMATILGKPEEAKRYRQLAQQLADYINTCMFDPTTQF
YYDVRIEDKPLANGCAGKPIVERGKGPEGWSPLFNGAATQANADAVVKVM
LDPKEFNTFVPLGTAALTNPAFGADIYWRGRVWVDQFWFGLKGMERYGYR
DDALKLADTFFRHAKGLTADGPIQENYNPLTGAQQGAPNFSWSAAHLYML
YNDFFRKQNADNYKNVINRTGAPQYMKDYDYDDHQRFNPFFDLGAWHGHL
LPDGPNTMGGFPGVALLTEEYINFMASNFDRLTVWQDGKKVDFTLEAYSI
PGALVQKLTAKDVQVEMTLRFATPRTSLLETKITSNKPLDLVWDGELLEK
LEAKEGKPLSDKTIAGEYPDYQRKISATRDGLKVTFGKVRATWDLLTSGE
SEYQVHKSLPVQTEINGNRFTSKAHINGSTTLYTTYSHLLTAQEVSKEQM
QIRDILARPAFYLTASQQRWEEYLKKGLTNPDATPEQTRVAVKAIETLNG
NWRSPGGAVKFNTVTPSVTGRWFSGNQTWPWDTWKQAFAMAHFNPDIAKE
NIRAVFSWQIQPGDSVRPQDVGFVPDLIAWNLSPERGGDGGNWNERNTKP
SLAAWSVMEVYNVTQDKTWVAEMYPKLVAYHDWWLRNRDHNGNGVPEYGA
TRDKAHNTESGEMLFTVKKSLRLSCAASGRTFSTAAMGWFRQAPGKERDF
VAGIYWTVGSTYYADSAKGRFTISRDNAKNTVYLQMDSLKPEDTAVYYCA
ARRRGFTLAPTRANEYDYWGQGTQVTVSS
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 chain6xux Chain A Residue 1001 [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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PDB6xux Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM.
Resolution1.90001 Å
Binding residue
(original residue number in PDB)		E98 D757 N759 N761 V763 E765
Binding residue
(residue number reindexed from 1)		E97 D739 N741 N743 V745 E747
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004555 alpha,alpha-trehalase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0005991 trehalose metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6xux, PDBe:6xux, PDBj:6xux
PDBsum6xux
PubMed33408403
UniProtP42592|YGJK_ECOLI Glucosidase YgjK (Gene Name=ygjK)

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