Structure of PDB 7uwu Chain A Binding Site BS01

Receptor Information
>7uwu Chain A (length=628) Species: 657321 (Ruminococcus bromii L2-63) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGSEAYFDNSKYGWKDVYVYAYGTKENAEWPGELMTKEDSGLYKASFASS
FKSEKIIFNNGLEKGNGKEQYPEAAGLSLKAGECKMLTAEKQWIDYGKPD
DHAYGYTLTANNTAFSTESLDVKLALKNADKGYYSVDGSAKKEFANGDSV
KVGEGKIGNSKVTLTLYATGADGVETEQTYTFKKTFTASKTTFSAKSDGH
TTAPESGYYGTNPEMQLGKHKTISVDGDLSDWDSSMIIAQGVANDDPRVY
MPSSMHEQPWDAYALYSAWDDDNLYFLLEMANTTYITSPEDNFAASNEAR
PWRNSIPMYLALSIDPAKQATGKAVGTNKDGSVYTNPFVWGCTNGTAKDG
GTGFTTHIDTLVAFDSNNSNGGASIFKADTQDTDGTYMFNYDTRIPIGVT
SFQAQDNKNGFKIKYANGTKSTSIFGINAPKGSRVMGDNLDMNSNWVDFF
DEGYKNSYGYVYEIAVPLNTLGIDRSYIETQGIGAMQILTYGTSGMDTLP
HDPSMLDQANLEYSYDPSTSHEKEDIDNITVPLARIGALLPDTEVNEAPF
EVNFGANLNSGQSAGTPITLLAESYHATGDVTYSFTVNGETVTDSCVWTP
SADGTYSIGVVAVDANGNKAESTKTFVV
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 chain7uwu Chain A Residue 706 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7uwu The Ruminococcus amylosome protein Sas6 binds single and double helical a-glucans structures in starch.
Resolution2.19 Å
Binding residue
(original residue number in PDB)
S257 D259 D261 D264 E496
Binding residue
(residue number reindexed from 1)
S224 D226 D228 D231 E463
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0030245 cellulose catabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:7uwu, PDBe:7uwu, PDBj:7uwu
PDBsum7uwu
PubMed38177679
UniProtA0A2N0UYM2

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