Structure of PDB 2cqt Chain A Binding Site BS02

Receptor Information
>2cqt Chain A (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 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 chain2cqt Chain A Residue 1902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2cqt Structural dissection of the reaction mechanism of cellobiose phosphorylase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R351 H666 Q712 T731 G732
Binding residue
(residue number reindexed from 1)		R351 H666 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:2cqt, PDBe:2cqt, PDBj:2cqt
PDBsum2cqt
PubMed16646954
UniProtO66264

[Back to BioLiP]