Structure of PDB 5od2 Chain C Binding Site BS03

Receptor Information
>5od2 Chain C (length=456) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EIKKFIETIKGTKLFTAYNTNVDAIKYLKDEDVQKLVDEFNHKDIIERME
EYPRIIEEPLDFVARLVHSIKTGKPAEVPIKDDKKLHEWFDRIKYDEERM
GGQAGIVSNLMATLQIDKIIVYTPFLSKKQAEMFVDYDNLLYPLVENGNL
VLKKVREAYRDDPIKINRIFEFKKGLKFKLNGEEITAKQSTRFIVASRPE
ALRIEIKDDVRKFLPKIGEAVDCAFLSGYQAIKEEYRDGKTAKYYFERAE
EDIKLLKKNKNIKTHLEFASISNIEIRKMVVDYILSNVESVGMDETEIAN
VLHILGYDELSNNILKDSFIEDVIEGAKILLDKFKNLEVVQVHTIYYILF
VCRADNPLSKEELEECLEFSTILASTKAKLGNIRAIDDLHEGLKIPHNKY
GDLLKEIAEKFNDNNYKIALSPSRYVEKPKSTVGLGDTISSGAFVYYVSL
LNKKRM
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 chain5od2 Chain C Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5od2 Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii in complex with 5-iodotubercidin reveals phosphoryl transfer mechanism.
Resolution1.98 Å
Binding residue
(original residue number in PDB)		R197 G439 G441 D442
Binding residue
(residue number reindexed from 1)		R192 G434 G436 D437
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.146: ADP-specific phosphofructokinase.
2.7.1.147: ADP-specific glucose/glucosamine kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008443 phosphofructokinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0043843 ADP-specific glucokinase activity
GO:0043844 ADP-specific phosphofructokinase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006000 fructose metabolic process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5od2, PDBe:5od2, PDBj:5od2
PDBsum5od2
PubMed29352744
UniProtQ58999|K6PF_METJA Bifunctional ADP-specific glucokinase/phosphofructokinase (Gene Name=pfkC)

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