Structure of PDB 2jcb Chain B Binding Site BS02

Receptor Information
>2jcb Chain B (length=190) Species: 198094 (Bacillus anthracis str. Ames) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHVREEKLRLRKQIIEHMNSLSKERYTTLSEQIVFSLYEQKEWAEAKTIG
ITLSMENEVNTYPIIEKAWKEGKRVVVPKCNKETRTMSFRQISNFDQLET
VYMNLREPIPALTEEVNADEIDLQIVPGVAYTERGERIGYGGGYYDRYLV
HYKGKTLSLAYSFQMVEHIPVEPFDKNVEKIITEKGTMVK
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2jcb Chain B Residue 1190 [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]
PDB2jcb Structure of 5-Formyltetrahydrofolate Cyclo-Ligase from Bacillus Anthracis (Ba4489).
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R135 G137 Y142 Y143
Binding residue
(residue number reindexed from 1)		R137 G139 Y144 Y145
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.3.2: 5-formyltetrahydrofolate cyclo-ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0030272 5-formyltetrahydrofolate cyclo-ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0035999 tetrahydrofolate interconversion

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2jcb, PDBe:2jcb, PDBj:2jcb
PDBsum2jcb
PubMed17329806
UniProtA0A6L8PZ12

[Back to BioLiP]