Structure of PDB 4k8p Chain A Binding Site BS02

Receptor Information
>4k8p Chain A (length=332) Species: 347834 (Rhizobium etli CFN 42) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSMTRFDVLTVGNAIVDIISRCNDQFLIDNQITKAAMNLIDAERAELLYS
RMGPALEASGGSAGNTAAGVANLGGKAAYFGNVAADQLGDIFTHDIRAQG
VHYQTKPKGAFPPTARSMIFVTEDGERSMNTYLGACVELGPEDVEADVVA
DAKVTYFEGYLWDPPRAKEAILDCARIAHQHGREMSMTLSDSFCVDRYRG
EFLDLMRSGKVDIVFANRQEALSLYQTDDFEEALNRIAADCKIAAVTMSE
NGAVILKGRERYYVNAIRIREVVDTTGAGDLFASGFLYGYTQGRSLEDCG
KLGCLAAGIVIQQIGPRPMTSLSEAAKQAGLI
Ligand information
Ligand ID12M
InChIInChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3
InChIKeySBUIQTMDIOLKAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCc1ccccc1CO
ACDLabs 10.04OCc1ccccc1CC
FormulaC9 H12 O
Name(2-ETHYLPHENYL)METHANOL
ChEMBLCHEMBL386156
DrugBank
ZINCZINC000002506781
PDB chain4k8p Chain A Residue 402 [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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PDB4k8p Crystal structure of probable sugar kinase protein from Rhizobium etli CFN 42 complexed with 2-ethylbenzyl alcohol
Resolution1.5 Å
Binding residue
(original residue number in PDB)		A41 Y45 R112
Binding residue
(residue number reindexed from 1)		A45 Y49 R116
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R123 G273 A274 G275 D276
Catalytic site (residue number reindexed from 1) R127 G277 A278 G279 D280
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0016310 phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4k8p, PDBe:4k8p, PDBj:4k8p
PDBsum4k8p
PubMed
UniProtQ2KDX6

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