Structure of PDB 6p63 Chain D Binding Site BS02

Receptor Information
>6p63 Chain D (length=594) Species: 1902 (Streptomyces coelicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLADAVAHLTPERWEEANRLLVRKALAEFTHERLLTPEREPDDGGGQTYV
VRSDDGQTAYRFTATVRALDHWQVDAASVTRHRDGAELPLAALDFFIELK
QTLGLSDEILPVYLEEISSTLSGTCYKLTKPQLSSAELARSGDFQAVETG
MTEGHPCFVANNGRLGFGIHEYLSYAPETASPVRLVWLAAHRSRAAFTAG
VGIEYESFVRDELGAATVDRFHGVLRGRGLDPADYLLIPVHPWQWWNKLT
VTFAAEVARGHLVCLGEGDDEYLAQQSIRTFFNASHPGKHYVKTALSVLN
MGFMRGLSAAYMEATPAINDWLARLIEGDPVLKETGLSIIRERAAVGYRH
LEYEQATDRYSPYRKMLAALWRESPVPSIREGETLATMASLVHQDHEGAS
FAGALIERSGLTPTEWLRHYLRAYYVPLLHSFYAYDLVYMPHGENVILVL
ADGVVRRAVYKDIAEEIAVMDPDAVLPPEVSRIAVDVPDDKKLLSIFTDV
FDCFFRFLAANLAEEGIVTEDAFWRTVAEVTREYQESVPELADKFERYDM
FAPEFALSCLNRLQLRDNRQMVDLADPSGALQLVGTLKNPLAGR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6p63 Chain D Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6p63 Cofactor Complexes of DesD, a Model Enzyme in the Virulence-related NIS Synthetase Family.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		E445 N446 D463
Binding residue
(residue number reindexed from 1)		E444 N445 D462
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0019290 siderophore biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6p63, PDBe:6p63, PDBj:6p63
PDBsum6p63
PubMed32885650
UniProtQ9L069

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