Structure of PDB 4znq Chain B Binding Site BS01

Receptor Information
>4znq Chain B (length=317) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMTYPTNLEIIGGQGGSSFSFTGENNGASLEKIWVWVGGWQIKAVRAWL
SDGRDETFGVPSGSHQEYVFTPGECFTSLSLWGNGAGTRLGAIKFKTNKG
GEFFAHMTSWGLKTEYPMDVGSGYCLGIVGRGGSDIDCMGFMFLNAVQST
VLTNVNYPTINQLIPKVATEEIKSVSFENKTSVKQEQKVETSKKVIKTSS
WSMTKSFSSTFSVEVSAGIPEIAEVSTGFSISFGVESTHSLEQTDEKNET
LTTTVEVPPKKKVDVHITIGRASFDLPYTGTVKITCKNGSVLQYETKGQY
KGVAYTDIKVNTVEKDL
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain4znq Chain D 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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PDB4znq Structural basis for receptor recognition and pore formation of a zebrafish aerolysin-like protein.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G15 R87 G131 S132 D133 D135
Binding residue
(residue number reindexed from 1)		G17 R89 G133 S134 D135 D137
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0042802 identical protein binding
GO:0048030 disaccharide binding
Biological Process
GO:0042742 defense response to bacterium
Cellular Component
GO:0005886 plasma membrane
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4znq, PDBe:4znq, PDBj:4znq
PDBsum4znq
PubMed26711430
UniProtQ5CZR5|AEP1_DANRE Aerolysin-like protein (Gene Name=aep1)

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