Structure of PDB 4atf Chain B Binding Site BS03

Receptor Information
>4atf Chain B (length=296) Species: 63186 (Zobellia galactanivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDWKDIPVPADAGPNMKWEFQEISDNFEYEAPADNKGSEFLEKWDDFYHN
AWAGPGLTEWKRDRSYVADGELKMWATRKPGSDKINMGCITSKTRVVYPV
YIEARAKVMNSTLASDVWLLSADDTQEIDILDAYGADYSESAGKDHSYFS
KKVHISHHVFIRDPFQDYQPKDAGSWFEDGTVWNKEFHRFGVYWRDPWHL
EYYIDGVLVRTVSGKDIIDPKHFTNTTDPGNTEIDTRTGLNKEMDIIINT
EDQTWRSSPASGLQSNTYTPTDNELSNIENNTFGVDWIRIYKPVEK
Ligand information
Ligand IDAAL
InChIInChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m0/s1
InChIKeyDCQFFOLNJVGHLW-DSOBHZJASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O
ACDLabs 11.02OC2OC1C(O)C(OC1)C2O
OpenEye OEToolkits 1.7.0C1C2C(C(O1)C(C(O2)O)O)O
CACTVS 3.352O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
CACTVS 3.352O[C@@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O
FormulaC6 H10 O5
Name3,6-anhydro-alpha-L-galactopyranose;
3,6-ANHYDRO-L-GALACTOSE;
3,6-anhydro-alpha-L-galactose;
3,6-anhydro-galactose
ChEMBL
DrugBank
ZINCZINC000005851684
PDB chain4atf Chain F Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4atf Biochemical and Structural Characterization of the Complex Agarolytic Enzyme System from the Marine Bacterium Zobellia Galactanivorans.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D189 Y191 H211 H215 Q310
Binding residue
(residue number reindexed from 1)		D132 Y134 H154 H158 Q253
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.81: beta-agarase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033916 beta-agarase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0009279 cell outer membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4atf, PDBe:4atf, PDBj:4atf
PDBsum4atf
PubMed22778272
UniProtQ9RGX8|AGAB_ZOBGA Beta-agarase B (Gene Name=agaB)

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