Structure of PDB 1bf2 Chain A Binding Site BS01

Receptor Information
>1bf2 Chain A (length=750) Species: 32043 (Pseudomonas sp. 'amyloderamosa') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AINSMSLGASYDAQQANITFRVYSSQATRIVLYLYSAGYGVQESATYTLS
PAGSGVWAVTVPVSSIKAAGITGAVYYGYRAWGPNWPYASNWGKGSQAGF
VSDVDANGDRFNPNKLLLDPYAQEVSQDPLNPSNQNGNVFASGASYRTTD
SGIYAPKGVVLVPSTQSTGTKPTRAQKDDVIYEVHVRGFTEQDTSIPAQY
RGTYYGAGLKASYLASLGVTAVEFLPVQETQNDANDVVPNSDANQNYWGY
MTENYFSPDRRYAYNKAAGGPTAEFQAMVQAFHNAGIKVYMDVVYNHTAE
GGTWTSSDPTTATIYSWRGLDNATYYELTSGNQYFYDNTGIGANFNTYNT
VAQNLIVDSLAYWANTMGVDGFRFDLASVLGNSCLNGAYTASAPNCPNGG
YNFDAADSNVAINRILREFTVRPAAGGSGLDLFAEPWAIGGNSYQLGGFP
QGWSEWNGLFRDSLRQAQNELGSMTIYVTQDANDFSGSSNLFQSSGRSPW
NSINFIDVHDGMTLKDVYSCNGANNSQAWPYGPSDGGTSTNYSWDQGMSA
GTGAAVDQRRAARTGMAFEMLSAGTPLMQGGDEYLRTLQCNNNAYNLDSS
ANWLTYSWTTDQSNFYTFAQRLIAFRKAHPALRPSSWYSGSQLTWYQPSG
AVADSNYWNNTSNYAIAYAINGPSLGDSNSIYVAYNGWSSSVTFTLPAPP
SGTQWYRVTDTCDWNDGASTFVAPGSETLIGGAGTTYGQCGQSLLLLISK
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 chain1bf2 Chain A Residue 751 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bf2 Three-dimensional structure of Pseudomonas isoamylase at 2.2 A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D128 E229 T230 N232 D259
Binding residue
(residue number reindexed from 1)		D128 E229 T230 N232 D259
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D128 E229 T230 N232 D259 D375 E435 D510
Catalytic site (residue number reindexed from 1) D128 E229 T230 N232 D259 D375 E435 D510
Enzyme Commision number 3.2.1.68: isoamylase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0019156 isoamylase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1bf2, PDBe:1bf2, PDBj:1bf2
PDBsum1bf2
PubMed9719642
UniProtP10342|ISOA_PSEAY Isoamylase (Gene Name=iam)

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