Structure of PDB 7fe2 Chain B Binding Site BS01

Receptor Information
>7fe2 Chain B (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
FYRQQALNYQQLFNPETGFMQAKDTEGNFRPDFLDIRWGKDYAQGSAWQS
SFAVYQDFAGLIKLYGSELAFEKKLIQLCNQAPNFNVEGYGFEIHEMSEM
AAIDFGQLAISNQPSFHYPFLFSYIGKPEMAQPLLKQLMQTFDASPTGYP
GDEDNGSMSAWYIFNSLGFYPVTPGAGEYVIGMPLVQTAEVKLSNGKQLT
IQTSPNKVQQQFIHEIQLNQEKHTAPYFTHQELLNGGTLDYQLGIVPNPQ
TTAERPFSLSTE
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain7fe2 Chain F Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fe2 Unlocking the Hydrolytic Mechanism of GH92 alpha-1,2-Mannosidases: Computation Inspires the use of C-Glycosides as Michaelis Complex Mimics.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		W68 Q494 H545 E546
Binding residue
(residue number reindexed from 1)		W68 Q494 H545 E546
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:7fe2, PDBe:7fe2, PDBj:7fe2
PDBsum7fe2
PubMed35049087
UniProtQ832K9

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