Structure of PDB 3s4b Chain B Binding Site BS02

Receptor Information
>3s4b Chain B (length=822) Species: 1714 (Cellulomonas uda) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRYGHFDDEAREYVITTPHTPYPWINYLGSEQFFSLLSHQAGGYSFYRDA
KMRRLTRYRYNNIPADAGGRYLYVNDGGDVWTPSWLPVKADLDHFEARHG
LGYSTITGERNGVRVETLFFVPVGENAEVQKVTVTNTSDSYKSLTLFSFV
EFCLWNAQDDQTNYQRNLSIGEVEVEQESPHGSAIYHRTEYRERRDHYAV
FAVNTQAEGFDTDRDTFVGAYNSLGEAAVPLKGESANSVASGWYPIGSHS
VAVSLAPGESRELVYVLGYVENPDEEKWADDAKQVVNKERAHALLSRFAT
SEQTDAAFAALKDYWTDLLSTYSVSSNDEKLDRMVNIWNQYQCMVTFNMS
RSASFFETGIGRGMGFRDSNQDLLGFVHLIPERARERIIDIASTQFADGS
AYHQYQPLTKRGNNDIGSGFNDDPLWLIAGTAAYIKETGDFSILDEPVPF
DNEPGSEVPLFEHLTRSFEFTVTHRGPHGLPLIGRADWNDCLNLNCFSTT
PGESFQTTENQAGGVAESTFIAAQFVLYGEQYAELAARRGLADVADRARG
HVAEMRDALLTDGWDGSWFLRAYDYYGNPIGTDAHDEGKIWIEPQGFAVM
AGVGVGEGPQDTDAPAIKALDSVNEMLATDHGMVLQYPAYTTYQVHMGEV
STYPPGYKENGGIFCHNNPWVIIAETVVGRGGRAFDYYKRITPAYREDIS
DVHRLEPYVYAQMIAGKEAVRHGEAKNSWLTGTAAWNFVTVSQYLLGVRP
EYDGLVVDPQIGPDVPSFTVTRVARGATYEITVTNSGTDGSRGRLVVDGT
PVEGNLVPYAPAGSTVRVDVTL
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](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
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain3s4b Chain B Residue 823 [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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PDB3s4b Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R367 D368 W488 D490
Binding residue
(residue number reindexed from 1)		R367 D368 W488 D490
Annotation score5
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
GO:0047738 cellobiose phosphorylase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3s4b, PDBe:3s4b, PDBj:3s4b
PDBsum3s4b
PubMed
UniProtQ7WTR6

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