Structure of PDB 3gxo Chain D Binding Site BS03

Receptor Information
>3gxo Chain D (length=339) Species: 1914 (Streptomyces lavendulae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTAARAAAEETVNDILQGAWKARAIHVAVELGVPELLQEGPRTATALAEA
TGAHEQTLRRLLRLLATVGVFDDLGHDDLFAQNALSAVLLPDPASPVATD
ARFQAAPWHWRAWEQLTHSVRTGEASFDVANGTSFWQLTHEDPKARELFN
RAMGSVSLTEAGQVAAAYDFSGAATAVDIGGGRGSLMAAVLDAFPGLRGT
LLERPPVAEEARELLTGRGLADRCEILPGDFFETIPDGADVYLIKHVLHD
WDDDDVVRILRRIATAMKPDSRLLVIDNLIDERPAASTLFVDLLLLVLVG
GAERSESEFAALLEKSGLRVERSLPCGAGPVRIVEIRRA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3gxo Chain D Residue 352 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gxo Structural characterization of the mitomycin 7-O-methyltransferase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		E20 D24
Binding residue
(residue number reindexed from 1)		E10 D14
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H259 D260 D287 E313
Catalytic site (residue number reindexed from 1) H249 D250 D277 E303
Enzyme Commision number 2.1.1.316: mitomycin 6-O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
Biological Process
GO:0032259 methylation
GO:1901663 quinone biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3gxo, PDBe:3gxo, PDBj:3gxo
PDBsum3gxo
PubMed21538548
UniProtQ9X5T6|MMCR_STRLA Mitomycin biosynthesis 6-O-methyltransferase (Gene Name=mmcR)

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