Structure of PDB 5od2 Chain B Binding Site BS01

Receptor Information
>5od2 Chain B (length=458) Species: 243232 (Methanocaldococcus jannaschii DSM 2661) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IMEIKKFIETIKGTKLFTAYNTNVDAIKYLKDEDVQKLVDEFNHKDIIER
MEEYPRIIEEPLDFVARLVHSIKTGKPAEVPIKDDKKLHEWFDRIKYDEE
RMGGQAGIVSNLMATLQIDKIIVYTPFLSKKQAEMFVDYDNLLYPLVENG
NLVLKKVREAYRDDPIKINRIFEFKKGLKFKLNGEEITAKQSTRFIVASR
PEALRIEIKDDVRKFLPKIGEAVDCAFLSGYQAIKEEYRDGKTAKYYFER
AEEDIKLLKKNKNIKTHLEFASISNIEIRKMVVDYILSNVESVGMDETEI
ANVLHILGYDELSNNILKDSFIEDVIEGAKILLDKFKNLEVVQVHTIYYI
LFVCRADNPLSKEELEECLEFSTILASTKAKLGNIRAIDDLHEGLKIPHN
KYGDLLKEIAEKFNDNNYKIALSPSRYVEKPKSTVGLGDTISSGAFVYYV
SLLNKKRM
Ligand information
Ligand IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain5od2 Chain B Residue 501 [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)		D28 E82 G106 G107 Q108 N172 D442
Binding residue
(residue number reindexed from 1)		D25 E79 G103 G104 Q105 N169 D439
Annotation score5
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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