Structure of PDB 5g2t Chain A Binding Site BS02

Receptor Information
>5g2t Chain A (length=467) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RQQEKPNFLIIQCDHLTQRVVGAYGQTQGCTLPIDEVASRGVIFSNAYVG
CPLSQPSRAALWSGMMPHQTNVRSNSSEPVNTRLPENVPTLGSLFSESGY
EAVHFGKTHDMGSLRGFKHKEPVAKPFTDPEFPVNNDSFLDVGTCEDAVA
YLSNPPKEPFICIADFQNPHNICGFIGENAGVHTDRPISGPLPELPDNFD
VEDWSNIPTPVQYICCSHRRMTQAAHWNEENYRHYIAAFQHYTKMVSKQV
DSVLKALYSTPAGRNTIVVIMADHGDGMASHRMVTKHISFYDEMTNVPFI
FAGPGIKQQKKPVDHLLTQPTLDLLPTLCDLAGIAVPAEKAGISLAPTLR
GEKQKKSHPYVVSEWHSEYEYVTTPGRMVRGPRYKYTHYLEGNGEELYDM
KKDPGERKNLAKDPKYSKILAEHRALLDDYITRSKDDYRSLKVDADPRCR
NHTPGYPSHEGPGAREI
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 chain5g2t Chain A Residue 501 [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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PDB5g2t How members of the human gut microbiota overcome the sulfation problem posed by glycosaminoglycans.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C233 C234 H470 H477
Binding residue
(residue number reindexed from 1)		C215 C216 H452 H459
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D32 H33 S72 R76 K125 H127 N153 H188 D291 H292 K304
Catalytic site (residue number reindexed from 1) D14 H15 S54 R58 K107 H109 N135 H170 D273 H274 K286
Enzyme Commision number 3.1.6.-
Gene Ontology
Molecular Function
GO:0004065 arylsulfatase activity
GO:0015024 glucuronate-2-sulfatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5g2t, PDBe:5g2t, PDBj:5g2t
PDBsum5g2t
PubMed28630303
UniProtQ8A7C8|HEXSF_BACTN Delta 4,5-hexuronate-2-O-sulfatase (Gene Name=BT_1596)

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