Structure of PDB 6c6g Chain B Binding Site BS01

Receptor Information
>6c6g Chain B (length=457) Species: 47660 (Pseudomonas sp. ADP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKTVEIIEGIASGRTSARDVCEEALATIGATDGLINAFTCRTVERARAEA
DAIDVRRARGEVLPPLAGLPYAVKNLFDIEGVTTLAGSKINRTLPPARAD
AVLVQRLKAAGAVLLGGLNMDEFAYGFTTENTHYGPTRNPHDTGRIAGGS
SGGSGAAIAAGQVPLSLGSDTNGSIRVPASLCGVWGLKPTFGRLSRRGTY
PFVHSIDHLGPLADSVEGLALAYDAMQGPDPLDPGCSASRIQPSVPVLSQ
GIAGLRIGVLGGWFRDNAGPAARAAVDVAALTLGASEVVMWPDAEIGRAA
AFVITASEGGCLHLDDLRIRPQDFEPLSVDRFISGVLQPVAWYLRAQRFR
RVYRDKVNALFRDWDILIAPATPISAPAIGTEWIEVNGTRHPCRPAMGLL
TQPVSFAGCPVVAAPTWPGENDGMPIGVQLIAAPWNESLCLRAGKVLQDT
GIARLKC
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 chain6c6g Chain B 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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PDB6c6g An unexpected vestigial protein complex reveals the evolutionary origins of ans-triazine catabolic enzyme.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y125 N172 F202
Binding residue
(residue number reindexed from 1)		Y125 N172 F202
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.1.131: 1-carboxybiuret hydrolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0018750 biuret amidohydrolase activity
Biological Process
GO:0019381 atrazine catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6c6g, PDBe:6c6g, PDBj:6c6g
PDBsum6c6g
PubMed29523689
UniProtQ936X3|ATZE_PSESD 1-carboxybiuret hydrolase subunit AtzE (Gene Name=atzE)

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