Structure of PDB 3s4a Chain A Binding Site BS01

Receptor Information
>3s4a Chain A (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 IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3s4a Chain C Residue 1 [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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PDB3s4a Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway
Resolution1.99 Å
Binding residue
(original residue number in PDB)		C491 E649 Y653 K658 E659
Binding residue
(residue number reindexed from 1)		C491 E649 Y653 K658 E659
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:3s4a, PDBe:3s4a, PDBj:3s4a
PDBsum3s4a
PubMed
UniProtQ7WTR6

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