Structure of PDB 7fe1 Chain A Binding Site BS01

Receptor Information
>7fe1 Chain A (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 ID5II
InChIInChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1
InChIKeyGNHGGSMJGHLAKR-WCMLQCRESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O
CACTVS 3.385CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1C
OpenEye OEToolkits 2.0.7CC1C(C(C(OC1OC)CO)O)O
CACTVS 3.385CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C
FormulaC8 H16 O5
Namemethyl 2-deoxy-2-methyl-alpha-D-mannopyranoside
ChEMBL
DrugBank
ZINC
PDB chain7fe1 Chain A Residue 801 [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)		W68 Y540 H545 E546
Binding residue
(residue number reindexed from 1)		W68 Y540 H545 E546
Annotation score1
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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