Structure of PDB 6yqh Chain AAA Binding Site BS02

Receptor Information
>6yqh Chain AAA (length=773) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NHQVSYFSLQDVKLLSSPFLQAQQTDLHYILALDPDRLSAPFLREAGLTP
KAPSYTNWENTGLDGHIGGHYLSALSMMYAATGDTAIYHRLNYMLNELHR
AQQAVGTGFIGGTPGSLQLWKEIKAGDIRAGGFSLNGKWVPLYNIHKTYA
GLRDAYLYAHSDLARQMLIDLTDWMIDITSGLSDNQMQDMLRSEHGGLNE
TFADVAEITGDKKYLKLARRFSHKVILDPLIKNEDRLNGMHANTQIPKVI
GYKRVAEVSKNDKDWNHAAEWDHAARFFWNTVVNHRSVCIGGNSVREHFH
PSDNFTSMLNDVQGPETCNTYNMLRLTKMLYQNSGDVDNSNKPDPRYVDY
YERALYNHILSSQEPDKGGFVYFTPMRPGHYRVYSQPETSMWCCVGSGLE
NHTKYGEFIYAHQQDTLYVNLFIPSQLNWKEQGVTLTQETLFPDDEKVTL
RIDKAAKKNLTLMIRIPEWAYEITINGKKHLSDIQTGASTYLPIRRKWKK
GDMITFHLPMKVSLEQIPDKKDYYAFLYGPIVLATSTGTENLDGIYADDS
RGGHIAHGRQTPLQEIPMLIGNPDSIRHSLHKLSGSKLAFSYDGNVYPTQ
SLELIPFFRLHNSRYAVYFRQASEEQFKTIQEEMATAERKATELANRTVD
LIFPGEQQPESDHSIQYEASETGTHKDRHFRRAKGWFSYNLKIKEEASQL
MITVRQEDRNKAVILLNNEKLTVHPTVSKADKDGFIRLCYLLPRKLKVGS
CEILFKPDGTEWTSAVYEVRLLK
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 chain6yqh Chain AAA Residue 1220 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yqh Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Resolution1.41 Å
Binding residue
(original residue number in PDB)		E339 C341 C416 C417
Binding residue
(residue number reindexed from 1)		E316 C318 C393 C394
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6yqh, PDBe:6yqh, PDBj:6yqh
PDBsum6yqh
PubMed33528085
UniProtQ8AAW3

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