Structure of PDB 3ckb Chain B Binding Site BS03

Receptor Information
>3ckb Chain B (length=501) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFDQQGVFVKGYAMLGVTGDGQDEGESGFYRTTFNCNELPTDECLWAWQK
NQDIPQLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQTEGMTDAETLR
QRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEKKGTELYTYIQNEL
NEIEADMYEPRQAPFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYA
SKVIGSAYKLCTNYSELFMADNDENENAMQEIILPIRQDGVKTRNYGGST
YLVCGTRVAGMPRMGTTNGWSCIFARAAMVQKFFSNLEDVPMLPADVEIP
TKGLDTDEQIDAFDAEHGIRTEDMIKAAGDDRALLYSGVGGGRRKIQTDA
ISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIF
RQGGDATGDINELRKRANCTRKVQTVTEQELIDEWAREFYLEGRRRSDLV
RFGMFTTNKYLWDWKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY
K
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 chain3ckb Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3ckb Starch catabolism by a prominent human gut symbiont is directed by the recognition of amylose helices.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D273 Q288 D430 D432
Binding residue
(residue number reindexed from 1)		D223 Q238 D380 D382
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
GO:2001070 starch binding
Biological Process
GO:0005982 starch metabolic process
GO:0005983 starch catabolic process
Cellular Component
GO:0009279 cell outer membrane
GO:0019867 outer membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ckb, PDBe:3ckb, PDBj:3ckb
PDBsum3ckb
PubMed18611383
UniProtQ8A1G2|SUSD_BACTN Starch-binding protein SusD (Gene Name=susD)

[Back to BioLiP]