Structure of PDB 4zlg Chain A Binding Site BS01

Receptor Information
>4zlg Chain A (length=785) Species: 203122 (Saccharophagus degradans 2-40) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLKAINNGERYQLTSPTAMPQSASFLWNKKMMIQVNCRGYAVAQFMQPEP
AKYAYAPNLEAKTFMQPEQPYYAHHPGRFFYIKDEETGEIFSAPYEPVRS
QLNNFSFNAGKSDISWHIAALGIEVELCLSLPVDDVVELWELKIKNGGAQ
PRKLSIYPYFPVGYMSWMNQSGDYSQTAGGIIASCVTPYQKVADYFKNKD
FKDKTFFLHETAPAAWEVNQKNFEGEGGLHNPNAIQQETLGCGNALYETP
TAVLQYRRELAAQEQQTFRFIFGPAFDESEAIALRNKYLSAEGFAKAKSE
YQTYITSGKGCLQINTPDPELNNFVNHWLPRQVFYHGDVNRLTTDPQTRN
YIQDNMGMSYIKPNITRQAFLHALSQQEESGAMPDGILLLEGAELKYINQ
IPHTDHCVWLPVCMQAYLDETNDYALLDEIVPYASGEKRETVEQHMHHAM
RWLLQARDERGLSFIAQGDWCDPMNMVGYKGKGVSGWLSVATAYALNLWA
DVCEQRQQNSCANEFRQGAKDINAAVNKHIWDGEWFGRGITDDGVLFGTS
KDKEGRIFLNPQSWAILGGAADEQKIPCLLDAVEQQLETPYGVMMLAPAF
TAMRDDVGRVTQKFPGSAENGSVYNHAAVFYIFSLLSIGESERAYKLLRQ
MLPGPDEADLLQRGQLPVFIPNYYRGAYYQHPRTAGRSSQLFNTGTVSWV
YRCLIEGVFGLKGSPQGLVVQPQLPVAWQTAEAVREFRGATFNVSYRKSS
DIKEMEIQLNESVISGNTISDITAGATYQLTVLLP
Ligand information
Ligand IDGCO
InChIInChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
InChIKeyRGHNJXZEOKUKBD-SQOUGZDYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C(=O)O)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
CACTVS 3.341OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
ACDLabs 10.04O=C(O)C(O)C(O)C(O)C(O)CO
FormulaC6 H12 O7
NameD-gluconic acid;
GLUCONIC ACID
ChEMBLCHEMBL464345
DrugBankDB13180
ZINCZINC000001531008
PDB chain4zlg Chain A Residue 801 [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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PDB4zlg Crystal Structure and Substrate Recognition of Cellobionic Acid Phosphorylase, Which Plays a Key Role in Oxidative Cellulose Degradation by Microbes.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Q347 D472 R609 K613
Binding residue
(residue number reindexed from 1)		Q347 D472 R609 K613
Annotation score5
Enzymatic activity
Enzyme Commision number 2.4.1.321: cellobionic acid phosphorylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4zlg, PDBe:4zlg, PDBj:4zlg
PDBsum4zlg
PubMed26041776
UniProtQ21MB1

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