Structure of PDB 1cyg Chain A Binding Site BS01

Receptor Information
>1cyg Chain A (length=680) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGNLNKVNFTSDVVYQIVVDRFVDGNTSNNPSGALFSSGCTNLRKYCGGD
WQGIINKINDGYLTDMGVTAIWISQPVENVFSVMNDASGSASYHGYWARD
FKKPNPFFGTLSDFQRLVDAAHAKGIKVIIDFAPNHTSPASETNPSYMEN
GRLYDNGTLLGGYTNDANMYFHHNGGTTFSSLEDGIYRNLFDLADLNHQN
PVIDRYLKDAVKMWIDMGIDGIRMDAVKHMPFGWQKSLMDEIDNYRPVFT
FGEWFLSENEVDANNHYFANESGMSLLDFRFGQKLRQVLRNNSDNWYGFN
QMIQDTASAYDEVLDQVTFIDNHDMDRFMIDGGDPRKVDMALAVLLTSRG
VPNIYYGTEQYMTGNGDPNNRKMMSSFNKNTRAYQVIQKLSSLRRNNPAL
AYGDTEQRWINGDVYVYERQFGKDVVLVAVNRSSSSNYSITGLFTALPAG
TYTDQLGGLLDGNTIQVGSNGSVNAFDLGPGEVGVWAYSATESTPIIGHV
GPMMGQVGHQVTIDGEGFGTNTGTVKFGTTAANVVSWSNNQIVVAVPNVS
PGKYNITVQSSSGQTSAAYDNFEVLTNDQVSVRFVVNNATTNLGQNIYIV
GNVYELGNWDTSKAIGPMFNQVVYSYPTWYIDVSVPEGKTIEFKFIKKDS
QGNVTWESGSNHVYTTPTNTTGKIIVDWQN
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 chain1cyg Chain A Residue 681 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1cyg ?
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N135 I186 D195 H229
Binding residue
(residue number reindexed from 1)		N135 I186 D195 H229
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D131 R223 D225 E253 H323 D324
Catalytic site (residue number reindexed from 1) D131 R223 D225 E253 H323 D324
Enzyme Commision number 2.4.1.19: cyclomaltodextrin glucanotransferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004556 alpha-amylase activity
GO:0016757 glycosyltransferase activity
GO:0030246 carbohydrate binding
GO:0043169 cation binding
GO:0043895 cyclomaltodextrin glucanotransferase activity
GO:0046872 metal ion binding
GO:2001070 starch 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:1cyg, PDBe:1cyg, PDBj:1cyg
PDBsum1cyg
PubMed
UniProtP31797|CDGT_GEOSE Cyclomaltodextrin glucanotransferase (Gene Name=cgt)

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