Structure of PDB 6egs Chain A Binding Site BS01

Receptor Information
>6egs Chain A (length=478) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEAKVRWPDFNQEAYVGGQVESDKLRMDRAIPDTRHDQCQRKQWRVDLPA
TSVVITFHNEARSALLRTVVSVLKKSPPHLIKEIILVDDYSNDPEDGALL
GKIEKVRVLRNDRREGLMRSRVRGADAAQAKVLTFLDSHCECNEHWLEPL
LERVAEDRTRVVSPIIDVINMDNFQYVGASADLKGGFDWNLVFKWDYMTP
EQRRSRQGNPVAPIKTPMIAGGLFVMDKFYFEELGKYDMMMDVWGGENLE
ISFRVWQCGGSLEIIPCSRVGHVFRKQHPYTFPVFARNTRRAAEVWMDEY
KNFYYAAVPSARNVPYGNIQSRLELRKKLSCKPFKWYLENVYPELRVPDH
QDIAFGALQQGTNCLDTLGHFADGVVGVYECHNAGGNQEWALTKEKSVKH
MDLCLTVVDRAPGSLIKLQGCRENDSRQKWEQIEGNSKLRHVGSNLCLDS
RTAKSGGLSVEVCGPALSQQWKFTLNLQ
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6egs Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6egs Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D224 H226 H359
Binding residue
(residue number reindexed from 1)		D137 H139 H272
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.41: polypeptide N-acetylgalactosaminyltransferase.
External links
PDB RCSB:6egs, PDBe:6egs, PDBj:6egs
PDBsum6egs
PubMed29601100
UniProtQ10471|GALT2_HUMAN Polypeptide N-acetylgalactosaminyltransferase 2 (Gene Name=GALNT2)

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