Structure of PDB 6idy Chain A Binding Site BS01

Receptor Information
>6idy Chain A (length=421) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSLVSILSSAANDSSIESEARSIASLIASEIVSKIRSTKDAKSVQEAFDK
IQSIFADGTPDFLKMTREILTVGLIPADILSFLNGYLNLDLNSIHNRNPS
PKGQAIYPVKAPGDARYSVAENALRAAIHIPASFGYGKNGKKPVILVPGT
ATPAGTTYYFNFGKLGSAADADVVWLNIPQASLNDVQINSEYVAYAINYI
SAISESNVAVLSWSQGGLDTQWALKYWPSTRKVVDDFIAISPDFHGTVMR
SLVCPWLAALACTPSLWQQGWNTEFIRTLRGGGGDSAYVPTTTIYSTFDE
IVQPMSGSQASAILSDSRAVGVSNNHLQTICGGKPAGGVYTHEGVLYNPL
AWALAVDALSHDGPGDPSRLDLDVVCGRVLPPQLGLDDLLGTEGLLLIAL
AEVLAYKPKTFGEPAIASYAH
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 A 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 D381 G382
Binding residue
(residue number reindexed from 1)		D236 A358 H361 D362 G363
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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