Structure of PDB 7fe2 Chain B Binding Site BS02

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 IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
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
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]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
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain7fe2 Chain F Residue 2 [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)		S66 W68 W312 D313 W350 L358 M359 Q494 D604
Binding residue
(residue number reindexed from 1)		S66 W68 W312 D313 W350 L358 M359 Q494 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:7fe2, PDBe:7fe2, PDBj:7fe2
PDBsum7fe2
PubMed35049087
UniProtQ832K9

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