Structure of PDB 1g6i Chain A Binding Site BS01

Receptor Information
>1g6i Chain A (length=510) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGEMDRDRIESMFLESWRDYSKHGWGYDVYGPIEHTSHNMPRGNQPLGWI
IVDSVDTLMLMYNSSTLYKSEFEAEIQRSEHWINDVLDFDIDAEVNVFET
TIRMLGGLLSAYHLSDVLEVGNKTVYLNKAIDLGDRLALAFLSTQTGIPY
SSINLHSGQAVKNHADGGASSTAEFTTLQMEFKYLAYLTGNRTYWELVER
VYEPLYKNNDLLNTYDGLVPIYTFPDTGKFGASTIRFGSRGDSFYEYLLK
QYLLTHETLYYDLYRKSMEGMKKHLLAQSKPSSLWYIGEREQGLQGQLSP
KMDHLVCFMGGLLASGSTEGLSIHEARRRPFFSKSDWDLAKGITDTCYQM
YKQSSSGLAPEIVVFNDGNIKDGWWRSSVGDFFVKPLDRHNLQRPETVES
IMFMYHLSHDHKYREWGAEIATSFFENTCVDCNDPKLRRFTSLSDCITLP
TKKSNNMESFWLAETLKYLYILFLDEFDLTKVVFNTEAHPFPVLDEEILK
SQSLTTGWSL
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 chain1g6i Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1g6i Structure and function of Class I a1,2-mannosidases involved in glycoprotein biosynthesis.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		L338 R433 P434 E435 F499 E503 T525 E526
Binding residue
(residue number reindexed from 1)		L305 R394 P395 E396 F460 E464 T486 E487
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E132 R136 D275 E435
Catalytic site (residue number reindexed from 1) E99 R103 D242 E396
Enzyme Commision number 3.2.1.113: mannosyl-oligosaccharide 1,2-alpha-mannosidase.
Gene Ontology
Molecular Function
GO:0004559 alpha-mannosidase activity
GO:0004571 mannosyl-oligosaccharide 1,2-alpha-mannosidase activity
GO:0005509 calcium ion binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006486 protein glycosylation
GO:0036503 ERAD pathway
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1g6i, PDBe:1g6i, PDBj:1g6i
PDBsum1g6i
PubMed
UniProtP32906|MNS1_YEAST Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase (Gene Name=MNS1)

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