Structure of PDB 7fe1 Chain D Binding Site BS03

Receptor Information
>7fe1 Chain D (length=712) Species: 1169312 (Enterococcus faecalis ATCC 10100) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIQAIDTRHGTANQHSFSNGNCLPYTGVPFGMNFYAPQTTDQKGSWWFH
PEDRTFQGYRVTHQPSPWMGDFSHLLMTPVSGSLSELSLFHAQSSYRPEE
SLFSPVEINLTQLRYQITSQLIPSMYGGILTIDYQQKDNHLLLTLPGRYQ
VKQLDDHQVAVKVINYSGCEDPDFSFYFVLHFEQPLTKWFAPSSGEDGKI
LLSFGNIAQQVVHFSSSFISEKQAQLNLAREISLRSTEMLQQGIADWHNY
FDRLKVTHENPEHTKTFYHTLYRTFLFPQTFYELDENQQPIHYDTFSQTV
RPGVLYTNNGFWDTYKTVYPLFSLIAQEKYEEMLEGFLNSYNETGFLPKW
LSPDERGLMPGTLIDAVIADAAVKKIRPDLMPQFLEAMKKGATQQSEREN
YGRQGTLDYLKYGYVPSTYHESVNHTLDYAYSDFCISQVAKTLNDSETAT
FYRQQALNYQQLFNPETGFMQAKDTEGNFRPDFLDIRWGKDYAEGSAWQS
SFAVYQDFAGLIKLYGSELAFEKKLIQLCNQAPNFNVEGYGFEIHEMSEM
AAIDFGQLAISNQPSFHYPFLFSYIGKPEMAQPLLKQLMQTFDASPTGYP
GDEDNGSMSAWYIFNSLGFYPVTPGAGEYVIGMPLVQTAEVKLSNGKQLT
IQTSPNKVQQQFIHEIQLNQEKHTAPYFTHQELLNGGTLDYQLGIVPNPQ
TTAERPFSLSTE
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 chain7fe1 Chain D Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fe1 Unlocking the Hydrolytic Mechanism of GH92 alpha-1,2-Mannosidases: Computation Inspires the use of C-Glycosides as Michaelis Complex Mimics.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		N562 Q563 D604
Binding residue
(residue number reindexed from 1)		N562 Q563 D604
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000224 peptide-N4-(N-acetyl-beta-glucosaminyl)asparagine amidase activity
GO:0003824 catalytic activity
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
GO:0006516 glycoprotein catabolic process
GO:0006517 protein deglycosylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7fe1, PDBe:7fe1, PDBj:7fe1
PDBsum7fe1
PubMed35049087
UniProtQ832K9

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