Structure of PDB 3afj Chain B Binding Site BS02

Receptor Information
>3afj 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
PGESFQTIENQAGGVAESVFIAAQFVLYGAEYATLAERRGLADVATEARK
YVDEVRAAVLEHGWDGQWFLRAYDYYGNPVGTDAKPEGKIWIEPQGFAVM
AGIGVGEGPDDADAPAVKALDSVNEMLGTPHGLVLQYPAYTTYQIELGEV
STYPPGYKENGGIFCNANPWVIIAETVVGRGAQAFDYYKRITPAYREDIS
DTHKLEPYVYAQMIAGKEAVRAGEAKNSWLTGTAAWNFVAVSQYLLGVRP
DYDGLVVDPQIGPDVPSYTVTRVARGATYEITVTNSGAPGARASLTVDGA
PVDGRTVPYAPAGSTVRVEVTV
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3afj Chain B Residue 3902 [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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PDB3afj Structural dissection of the reaction mechanism of cellobiose phosphorylase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R351 N666 Q712 T731 G732
Binding residue
(residue number reindexed from 1)		R351 N666 Q712 T731 G732
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:3afj, PDBe:3afj, PDBj:3afj
PDBsum3afj
PubMed
UniProtO66264

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