Structure of PDB 1ovw Chain D Binding Site BS02

Receptor Information
>1ovw Chain D (length=398) Species: 5507 (Fusarium oxysporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTPDKAKEQHPKLETYRCTKASGCKKQTNYIVADAGIHGIRQKNGAGCGD
WGQKPNATACPDEASCAKNCILSGMDSNAYKNAGITTSGNKLRLQQLINN
QLVSPRVYLLEENKKKYEMLHLTGTEFSFDVEMEKLPCGMNGALYLSEMP
QDGGKSTSRNSKAGAYYGAGYCDAQCYVTPFINGVGNIKGQGVCCNELDI
WEANSRATHIAPHPCSKPGLYGCTGDECGSSGICDKAGCGWNHNRINVTD
FYGRGKQYKVDSTRKFTVTSQFVANKQGDLIELHRHYIQDNKVIESAVVN
ISGPPKINFINDKYCAATGANEYMRLGGTKQMGDAMSRGMVLAMSVWWSE
GDFMAWLDQGVAGPCDATEGDPKNIVKVQPNPEVTFSNIRIGEIGSTS
Ligand information
Ligand IDSGC
InChIInChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyKGSURTOFVLAWDC-QZABAPFNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1S
ACDLabs 10.04OC1C(S)C(OC(O)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)S)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S
FormulaC6 H12 O5 S
Name4-thio-beta-D-glucopyranose;
4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE;
4-thio-beta-D-glucose;
4-thio-D-glucose;
4-thio-glucose
ChEMBL
DrugBankDB03584
ZINC
PDB chain1ovw Chain H Residue 2 [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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PDB1ovw Structure of the Fusarium oxysporum endoglucanase I with a nonhydrolyzable substrate analogue: substrate distortion gives rise to the preferred axial orientation for the leaving group.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y145 D173 Q175 E197 D199 E202 W347
Binding residue
(residue number reindexed from 1)		Y145 D173 Q175 E197 D199 E202 W347
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E197 D199 E202 H213
Catalytic site (residue number reindexed from 1) E197 D199 E202 H213
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:0005975 carbohydrate metabolic process
GO:0030245 cellulose catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ovw, PDBe:1ovw, PDBj:1ovw
PDBsum1ovw
PubMed8952478
UniProtP46237|GUNC_FUSOX Endoglucanase type C

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