Structure of PDB 8c4x Chain A Binding Site BS01

Receptor Information
>8c4x Chain A (length=276) Species: 547461 (Actinomadura keratinilytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATQNNPPSWGLDRIDQTNLPLSRSYTYNSTGAGVNAYIIDTGIYTAHSDF
GGRATNVYDALGGNGQDCNGHGTHVAGTVGGAAYGVAKAVNLRGVRVLNC
SGSGTTSGVIAGMNWVASNHVKPAVANMSLGGGYSSSLNTAANNLASSGV
FLAVAAGNETTNACNRSPASAANATTVAASTSTDARASYSNYGSCVHLYA
PGSSITSAWLNGGTNTISGTSMATPHVAGTAALYKATYGDASFSTIRSWL
VSNATSGVITGNVSGTPNLLLNKRSL
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 chain8c4x Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c4x An engineered enzyme embedded into PLA to make self-biodegradable plastic.
Resolution1.52 Å
Binding residue
(original residue number in PDB)
D12 Q16 S22 S24
Binding residue
(residue number reindexed from 1)
D12 Q16 S22 S24
Annotation score4
External links