Structure of PDB 7aj0 Chain C Binding Site BS01

Receptor Information

>7aj0 Chain C (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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

7aj0 Chain C Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7aj0 A novel thermostable prokaryotic fucoidan active sulfatase PsFucS1 with an unusual quaternary hexameric structure.
Resolution	2.5 Å
Binding residue (original residue number in PDB)	D69 D70 C111 D334 N335 K354
Binding residue (residue number reindexed from 1)	D49 D50 C91 D314 N315 K334
Annotation score	4

External links

PDB	RCSB:7aj0, PDBe:7aj0, PDBj:7aj0
PDBsum	7aj0
PubMed	34593864

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