Structure of PDB 6idy Chain B Binding Site BS01

Receptor Information
>6idy Chain B (length=420) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSLVSILSSAANDSSIESEARSIASLIASEIVSKIGKTEFKSVQEAFDKI
QSIFADGTPDFLKMTREILTVGLIPADILSFLNGYLNLDLNSIHNRNPSP
KGQAIYPVKAPGDARYSVAENALRAAIHIPASFGYGKNGKKPVILVPGTA
TPAGTTYYFNFGKLGSAADADVVWLNIPQASLNDVQINSEYVAYAINYIS
AISESNVAVLSWSQGGLDTQWALKYWPSTRKVVDDFIAISPDFHGTVMRS
LVCPWLAALACTPSLWQQGWNTEFIRTLRGGGGDSAYVPTTTIYSTFDEI
VQPMSGSQASAILSDSRAVGVSNNHLQTICGGKPAGGVYTHEGVLYNPLA
WALAVDALSHDGPGDPSRLDLDVVCGRVLPPQLGLDDLLGTEGLLLIALA
EVLAYKPKTFGEPAIASYAH
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 chain6idy Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6idy Crystal structure of Aspergillus fumigatus lipase B
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D255 A377 H380 G382
Binding residue
(residue number reindexed from 1)		D235 A357 H360 G362
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6idy, PDBe:6idy, PDBj:6idy
PDBsum6idy
PubMed
UniProtQ4WG73

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