Structure of PDB 3qg0 Chain B Binding Site BS02

Receptor Information
>3qg0 Chain B (length=822) Species: 11 (Cellulomonas gilvus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRYGHFDDAAREYVITTPHTPYPWINYLGSEQFFSLLSHQAGGYSFYRDA
KMRRLTRYRYNNIPADAGGRYLYVNDGGDVWTPSWLPVKADLDHFEARHG
LGYSRITGERNGLKVETLFFVPLGENAEVQKVTVTNTSDAPKTATLFSFV
EFCLWNAQDDQTNYQRNLSIGEVEVEQDGPHGSAIYHKTEYRERRDHYAV
FGVNTRADGFDTDRDTFVGAYNSLGEASVPRAGKSADSVASGWYPIGSHS
VAVTLQPGESRDLVYVLGYLENPDEEKWADDAHQVVNKAPAHALLGRFAT
SEQVDAALEALNSYWTNLLSTYSVSSTDEKLDRMVNIWNQYQCMVTFNMS
RSASFFETGIGRGMGFRDSNQDLLGFVHLIPERARERIIDIASTQFADGS
AYHQYQPLTKRGNNDIGSGFNDDPLWLIAGVAAYIKESGDWGILDEPVPF
DNEPGSEVPLFEHLTRSFQFTVQNRGPHGLPLIGRADWNDCLNLNCFSTT
PGESFQTTENQAGGVAESVFIAAQFVLYGAEYATLAERRGLADVATEARK
YVDEVRAAVLEHGWDGQWFLRAYDYYGNPVGTDAKPEGKIWIEPQGFAVM
AGIGVGEGPDDADAPAVKALDSVNEMLGTPHGLVLQYPAYTTYQIELGEV
STYPPGYKENGGIFCHNNPWVIIAETVVGRGAQAFDYYKRITPAYREDIS
DTHKLEPYVYAQMIAGKEAVRAGEAKNSWLTGTAAWNFVAVSQYLLGVRP
DYDGLVVDPQIGPDVPSYTVTRVARGATYEITVTNSGAPGARASLTVDGA
PVDGRTVPYAPAGSTVRVEVTV
Ligand information
Ligand IDNOJ
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-JGWLITMVSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01OC1C(NCC(O)C1O)CO
OpenEye OEToolkits 1.7.0C1C(C(C(C(N1)CO)O)O)O
OpenEye OEToolkits 1.7.0C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
CACTVS 3.370OC[CH]1NC[CH](O)[CH](O)[CH]1O
CACTVS 3.370OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
FormulaC6 H13 N O4
Name1-DEOXYNOJIRIMYCIN;
MORANOLINE
ChEMBLCHEMBL307429
DrugBankDB03206
ZINCZINC000003794714
PDB chain3qg0 Chain B Residue 2903 [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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PDB3qg0 Interactions between glycoside hydrolase family 94 cellobiose phosphorylase and glucosidase inhibitors
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R362 R367 D368 W488 N489 D490 E659 F664
Binding residue
(residue number reindexed from 1)		R362 R367 D368 W488 N489 D490 E659 F664
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.20: cellobiose phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016757 glycosyltransferase activity
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3qg0, PDBe:3qg0, PDBj:3qg0
PDBsum3qg0
PubMed
UniProtO66264

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