Structure of PDB 6goc Chain A Binding Site BS01

Receptor Information
>6goc Chain A (length=444) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQTYETEFARPLNEVLTDIQNRFGIRLKYDIDTVGKILPYADFRIRPYSV
EESLTNVLSPFDYKFVRQSGNLYKLKAYEYPRRTDADGEKMLAYLNTLYA
DKQAFELRADSLRKEVRQRLGIDTLLAQCVNSTPILSKIRKFDGYTVQNF
ALETLPGLYVCGSVYTPQSKGKHALIICPNGHFGGGRYREDQQQRMGTLA
RMGAVCVDYDLFGWGESILQVGSTAHRSSAAHTIQAMNGLLILDYMLASR
KDIDTKRIGANGGSGGGTHTVLLTTLDDRFTASAPVVSLASHFDGGCPCE
SGMPIQLSAGGTCNAELAATFAPRPQLVVSDGGDWTASVPALEFPYLQRI
YGFYDAKDNVTNVHLPKEKHDFGPNKRNAVYDFFAEVFDLDKKMLDESKV
TIEPESAMYSFGEKGELLPENAIRSFDKVAAYFDKKAFAKLKSD
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6goc Chain A Residue 701 [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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PDB6goc Characterisation of a methylesterases essential for pectin rhamnogalacturonan II metabolism from the gut bacterium Bacteroides thetaiotaomicron
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H201 H244 C315 C317
Binding residue
(residue number reindexed from 1)		H182 H226 C297 C299
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6goc, PDBe:6goc, PDBj:6goc
PDBsum6goc
PubMed
UniProtQ8A900

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