Structure of PDB 4jk3 Chain B Binding Site BS02

Receptor Information
>4jk3 Chain B (length=251) Species: 269797 (Methanosarcina barkeri str. Fusaro) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPDDLININMQLQKADSAVQEVTGLDIKGICKALYGTFSSSEKVGIVPVT
SIGNFSASLHAITQYFGFDSFVTDMPDVSGYYEAVQNGAEIILMADDRTF
LAHNLKNGKMANNQPCTGIIYAEIASRYLKADSKDVLVVGLGKVGFPGAE
HLVQKDFRVYGYDADETLLERATSNLGIIPFDPANPKKFSIIFEATPCAN
TIPEAVLSENCVLSTPGIPCAISEELRDKYEVQLIAEPLGIGTASMLYSV
L
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 chain4jk3 Chain B Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jk3 Structure and Reaction Mechanism of Pyrrolysine Synthase (PylD).
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y129 E245 L247 I249 G250
Binding residue
(residue number reindexed from 1)		Y121 E237 L239 I241 G242
Annotation score1
Enzymatic activity
Enzyme Commision number 1.4.1.-
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
Biological Process
GO:0008652 amino acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4jk3, PDBe:4jk3, PDBj:4jk3
PDBsum4jk3
PubMed23720358
UniProtQ46E80|PYLD_METBF Pyrrolysine synthase (Gene Name=pylD)

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