Structure of PDB 4cot Chain A Binding Site BS01

Receptor Information
>4cot Chain A (length=443) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKPIFKEVSVHDPSIIETNGTFYVFGSHLASAKSNDLMQWQQLTTSVSND
NPLIPNVYEELKETFEWAQSDTLWAADVTQLADGKYYMYYNACRGDSPRS
AMGVAVADNIEGPYKNKGIFLKSGMEGTSSDGTPYDATKHPNVVDPHTFF
DKDGKLWMVYGSYSGGIFILEMNPKTGFPLPGQGYGKKLLGGNHSRIEGP
YVLYNPDTQYYYLYLSYGGLDATGGYNIRVARSKKPDGPYYDAEGNPMLD
VRGKGGTFFDDRSIEPYGVKLMGSYTFETENEKGTGYVSPGQNSAYYDEK
TGRSYLIFHTRFPGRGEEHEVRVHQLFMNKDGWPVAAPYRYAGETLKEVK
QKDITGTYKLIQHGKDISADIKQTINIQLNKNHTISGEMTGTWRKTGKNT
ADITLAGKKYNGVFLRQWDSVREKNVMTFSVLNTSGEAVWGSK
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain4cot Chain A Residue 1470 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cot The Importance of the Abn2 Calcium Cluster in the Endo-1,5-Arabinanase Activity from Bacillus Subtilis.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H173 Q318
Binding residue
(residue number reindexed from 1)		H147 Q292
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.99: arabinan endo-1,5-alpha-L-arabinosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4cot, PDBe:4cot, PDBj:4cot
PDBsum4cot
PubMed24549757
UniProtP42293|EABN2_BACSU Extracellular endo-alpha-(1->5)-L-arabinanase 2 (Gene Name=abn2)

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