Structure of PDB 4pio Chain A

Receptor sequence
>4pioA (length=307) Species: 1772 (Mycolicibacterium smegmatis) [Search protein sequence]
AEALRRDVRAGLTATQKSLPPKWFYDAVGSDLFDQITRLPEYYPTRTEAQ
ILRTRSAEIISAAGADTLVELGSGTSEKTRMLLDAMRDAELLRRFIPFDV
DAGVLRSAGAAIGAEYPGIEIDAVCGDFEEHLGKIPHVGRRLVVFLGSTI
GNLTPAPRAEFLSTLADTLQPGDSLLLGTDLVKDTGRLVRAYDDAAGVTA
AFNRNVLAVVNRELSADFDLDAFEHVAKWNSDEERIEMWLRARTAQHVRV
AALDLEVDFAAGEEMLTEVSDKFRPENVVAELAEAGLRQTHWWTDPAGDF
GLSLAVR
3D structure
PDB4pio Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
ChainA
Resolution1.506 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.1.1.44: L-histidine N(alpha)-methyltransferase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 SAH A Y39 F47 G86 G88 K92 D113 V114 G140 D141 F142 Y25 F33 G72 G74 K78 D99 V100 G126 D127 F128 MOAD: Kd=210uM
BS02 AVI A Y56 G161 S162 T163 N166 Y206 E282 S284 Y42 G147 S148 T149 N152 Y192 E268 S270 MOAD: Kd=2uM
PDBbind-CN: -logKd/Ki=5.70,Kd=2uM
BS03 MG A D233 D235 D219 D221
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0052706 L-histidine N(alpha)-methyltransferase activity
Biological Process
GO:0032259 methylation
GO:0052699 ergothioneine biosynthetic process
GO:0052704 ergothioneine biosynthesis from histidine via gamma-glutamyl-hercynylcysteine sulfoxide

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Molecular Function
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Biological Process
External links
PDB RCSB:4pio, PDBe:4pio, PDBj:4pio
PDBsum4pio
PubMed25404173
UniProtA0R5M8|EGTD_MYCS2 Histidine N-alpha-methyltransferase (Gene Name=egtD)

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