Structure of PDB 3act Chain B Binding Site BS01

Receptor Information
>3act Chain B (length=822) Species: 593907 (Cellulomonas gilvus ATCC 13127) [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
STYPPGYKENGGIFCNNNPWVIIAETVVGRGAQAFDYYKRITPAYREDIS
DTHKLEPYVYAQMIAGKEAVRAGEAKNSWLTGTAAWNFVAVSQYLLGVRP
DYDGLVVDPQIGPDVPSYTVTRVARGATYEITVTNSGAPGARASLTVDGA
PVDGRTVPYAPAGSTVRVEVTV
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 chain3act Chain B Residue 3901 [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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PDB3act Structural dissection of the reaction mechanism of cellobiose phosphorylase
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D490 E649 Y653 K658 E659
Binding residue
(residue number reindexed from 1)		D490 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
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3act, PDBe:3act, PDBj:3act
PDBsum3act
PubMed
UniProtO66264

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