Structure of PDB 8gqa Chain A Binding Site BS02

Receptor Information
>8gqa Chain A (length=437) Species: 1931 (Streptomyces sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTRLTVALSGDCMVTRGGLITSDPAAERLRDLLRGTDFAVTNLEVVPSDG
RGHPVHNAVGGGCLIADSAVLDEVTAAGFSVLGCANNHAMDLGTEGVLGT
MDLLRARGIPYAGIGADLTGARRPVYADRPGGSLALLSCTATFLPGQEAA
DPSPELPGRPGLNPLRHTATMQVTADQMDVLRTIDAETGLRARRAEARAL
LGVDPALLDRLALFGTRFRTADAPGFTTECDPRDLDEIARWVGEARLRAD
LVVVSVHSHEPGPTPETPGEFLRVFAHRMIDEGAHAVVGHGPHFLRGVEL
YRNKPIFYSLGNIVSQIELTDRVSAEDYAKVTAERPLTPGRYYDRLSGHG
TRLFAPHRRYWQSLVPVLTFEDGTLTAARLHPVDLGFGRPVHRRGRPRLA
DRAEAEKTLTDVAQLSQPYGTAIEVMDDGTGELALDV
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 chain8gqa Chain A Residue 501 [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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PDB8gqa Structure of lasso peptide epimerase MslH reveals metal-dependent acid/base catalytic mechanism.
Resolution2.29 Å
Binding residue
(original residue number in PDB)		E44 N87 H259 H261
Binding residue
(residue number reindexed from 1)		E44 N87 H257 H259
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links