Structure of PDB 4d4c Chain A Binding Site BS01

Receptor Information
>4d4c Chain A (length=332) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDGDTAMKAFNDTFWDPNAKMFWKDSKREKHQDFWVEAELWELVMDAYQH
TSDPALKAELKTQIDDVYDGTVAKYGQDWTNNPFNDDIMWWAMGSARAYQ
ITGNPRYLEAARDHFDFVYDTQWDEEFANGGIWWLNSDHNTKNACINFPA
AQAALYLYDITKDEHYLNAATKIFRWGKTMLTDGNGKVFDRIEIEHGAVP
DATHYNQGTYIGSAVGLYKATGNAVYLDDAVKAAKFTKNHLVDSNGVLNY
EGPNGDLKGGKTILMRNLAHLQKTLDETGQYPEFSAEFDEWLAFNIEMAW
SHQNSDHIVDGNWAGGTYESWSSAAAVQALNG
Ligand information
Ligand IDDMJ
InChIInChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyLXBIFEVIBLOUGU-KVTDHHQDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
ACDLabs 10.04OC1C(NCC(O)C1O)CO
OpenEye OEToolkits 1.5.0C1C(C(C(C(N1)CO)O)O)O
CACTVS 3.341OC[CH]1NC[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H13 N O4
Name1-DEOXYMANNOJIRIMYCIN
ChEMBLCHEMBL84844
DrugBankDB03955
ZINCZINC000003995890
PDB chain4d4c Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4d4c Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Resolution1.3 Å
Binding residue
(original residue number in PDB)		W172 C183 D228 Y243
Binding residue
(residue number reindexed from 1)		W134 C145 D190 Y205
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.101: mannan endo-1,6-alpha-mannosidase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links
PDB RCSB:4d4c, PDBe:4d4c, PDBj:4d4c
PDBsum4d4c
PubMed25772148
UniProtQ9Z4P9

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