Structure of PDB 1h3m Chain B Binding Site BS01

Receptor Information
>1h3m Chain B (length=218) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HLDVCAVVPAAGECPKQYLSIGNQTILEHSVHALLAHPRVKRVVIAISPG
DSRFAQLPLANHPQITVVDGGDERADSVLTGLKAAGDAQWVLVHDAARPC
LHQDDLARLLALSETSRTGGILAAPVRDTMKRAEPGKNAIAHTVDRNGLW
HALTPQFFPRELLHDCLTRALNEGATITDEASALEYCGFHPQLVEGRADN
IKVTRPEDLALAEFYLTR
Ligand information
Ligand IDN2P
InChIInChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
InChIKeyVHRGRCVQAFMJIZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCCCN
OpenEye OEToolkits 1.5.0C(CCN)CCN
FormulaC5 H14 N2
NamePENTANE-1,5-DIAMINE
ChEMBLCHEMBL119296
DrugBankDB03854
ZINCZINC000001529253
PDB chain1h3m Chain A Residue 1231 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h3m Structure of a Tetragonal Crystal Form of Escherichia Coli 2-C-Methyl-D-Erythritol 4-Phosphate Cytidylyltransferase
Resolution2.4 Å
Binding residue
(original residue number in PDB)		R143 H153 V155
Binding residue
(residue number reindexed from 1)		R132 H142 V144
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.60: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016779 nucleotidyltransferase activity
GO:0042802 identical protein binding
GO:0050518 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase activity
GO:0070567 cytidylyltransferase activity
Biological Process
GO:0008299 isoprenoid biosynthetic process
GO:0019288 isopentenyl diphosphate biosynthetic process, methylerythritol 4-phosphate pathway
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1h3m, PDBe:1h3m, PDBj:1h3m
PDBsum1h3m
PubMed12595740
UniProtQ46893|ISPD_ECOLI 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase (Gene Name=ispD)

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