Structure of PDB 6yra Chain B Binding Site BS01

Receptor Information
>6yra Chain B (length=579) Species: 77298 (Pseudomonas jessenii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTVDPITLAVVRGALETAQREMTLTLEKTSRSSVFNLAHDYSNALFDHLP
EMILQGQDIPIHLGSLIPAMKCVAGFFGDEIAEGDVIYHNDPAYMGSHIL
DCCMYKPVFYKGELVFWTVCKGHLTDIGGPVPAGYNPDAKEIYAEGLRIP
PVKLWAQGQRREDVINLLLTNMRARAYQEGDLNAQYGACSVGERHLIELL
DRYGVDQVRACITELKDMADRHMRALLRDVPDGFYSGTAILEDSGHGLGE
LSITAQVEIRGDEAHVLIESPPQVPYFINSYAGNSISGVYLGLMMFAQVP
PPYNEGLYRCVSVDLGPSGTLCNAQEPAPHVNCTTTPMETLADAVRLALE
QAAPERVTASWGHASGINIAGHDPRNNNDEYVTMVLASVISGAGANKAMD
GWPACGPLCCFGALMSGDIELLEYSYPVLIHRYSLMTDSGGAGEFRGGSG
TRLELEPLKHAMTVVGFGEGRQLPTAGAAGAKNVLLEPKLGRLIHRHVDG
EEDHYIQNTLLTAQPGERVINVNPGGGGYGDPLRRPLATVLADVRNGLVS
IDGARLEYGVVIDGNGQLDEAATHAHRAA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6yra Chain B Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yra Catalytic and structural properties of ATP-dependent caprolactamase from Pseudomonas jessenii.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		D41 H99 D102 H124
Binding residue
(residue number reindexed from 1)		D40 H98 D101 H123
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016787 hydrolase activity
GO:0017168 5-oxoprolinase (ATP-hydrolyzing) activity
GO:0046872 metal ion binding
Biological Process
GO:0006749 glutathione metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6yra, PDBe:6yra, PDBj:6yra
PDBsum6yra
PubMed33826169
UniProtA0A2W0FH34|CAPLB_PSEJE Caprolactamase subunit beta (Gene Name=capB)

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