Structure of PDB 7r2d Chain B Binding Site BS01

Receptor Information
>7r2d Chain B (length=305) Species: 1133049 (Thermoascus aurantiacus ATCC 26904) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKVFQWFGSNESGAEFGSQNLPGVEGKDYIWPDPNTIDTLISKGMNIFRV
PFMMERLVPNSMTGSPDPNYLADLIATVNAITQKGAYAVVDPHNYGRYYN
SIISSPSDFQTFWKTVASQFASNPLVIFDTNNAYHDMDQTLVLNLNQAAI
DGIRSAGATSQYIFVEGNSWTGAWTWTNVNDNMKSLTDPSDKIIYEMHQY
LDSDGSGTSATCVSSTIGQERITSATQWLRANGKKGIIGEFAGGANDVCE
TAITGMLDYMAQNTDVWTGAIWWAAGPWWGDYIFSMEPDNGIAYQQILPI
LTPYL
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 chain7r2d Chain D Residue 1 [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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PDB7r2d Crystal structure of TaCel5A E133A variant in complex with cellopentaose
Resolution1.61 Å
Binding residue
(original residue number in PDB)		H93 Y95 N132 Y200 S206 G207 E240 W273
Binding residue
(residue number reindexed from 1)		H93 Y95 N132 Y200 S206 G207 E240 W273
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008810 cellulase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0009251 glucan catabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7r2d, PDBe:7r2d, PDBj:7r2d
PDBsum7r2d
PubMed
UniProtQ8TG26

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