Structure of PDB 7aj0 Chain A Binding Site BS01

Receptor Information
>7aj0 Chain A (length=501) Species: 2588452 (Pseudoalteromonas sp. MB47) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVFNDAIVEKPNMEPAIPRPEQEKVAVSKLKNLEAKQGRKPNVLVLLVDD
LGWGDPGVYGGGAAIGAPTPNIDKLANEGLRLTSMYSQPTCTSSRAALTT
GRLPVRSGLVRPILTGDKVTQNPWEKEVSQGKLLSKVGYKTALIGKWHVG
EAEGMLPHEVGFDYFYGLPSVQSDYTQFLVERQYADMMTNKELYTKASQL
RPEGLIKGRKGGKREVAYPINSIEDISMIDQVLRDESVKFINQAVDEGKP
FYLIHSFSKIHNDNYPAPKYKGASPAAMPVRDAMVEVDDITGELVALLKE
KGQLENTLIIFTSDNGPNEDTWPDSGYSPWRGGKGTTWEGGVRIPGIAYW
KGMISAGQVNNGLMDLTDIYMTSLRLGGVIDELPSNMYFDGIDQTAFLLA
DNGKSRRQVVYMWSREDFTALRWLDYKIHFKVFNTAVPRRNIDASFLLDI
GTAPWVFNLNMDPKEMASTGHQYFEWGMPQATKFMKAHIATMKKYPNTDI
G
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7aj0 Chain A Residue 600 [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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PDB7aj0 A novel thermostable prokaryotic fucoidan active sulfatase PsFucS1 with an unusual quaternary hexameric structure.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D69 D70 C111 D334 N335
Binding residue
(residue number reindexed from 1)		D49 D50 C91 D314 N315
Annotation score4
External links