Structure of PDB 4b52 Chain A Binding Site BS02

Receptor Information
>4b52 Chain A (length=304) Species: 1406 (Paenibacillus polymyxa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATGTGKGVLGDTKSFTTTASGSSYQLKDTTRGNGVVTYTASNRQSIPGTI
LTDADNVWNDPAGVDAHTYAAKTYDYYKAKFGRNSIDGRGLQLRSTVHYG
SRYNNAFWNGSQMTYGDGDGSTFIAFSGDPDVVGHELTHGVTEYTSNLEY
YGESGALNEAFSDVIGNDIQRKNWLVGDDIYTPNIAGDALRSMSNPTLYD
QPDHYSNLYTGSSDNGGVHTNSGIINKAYYLLAQGGTFHGVTVNGIGRDA
AVQIYYSAFTNYLTSSSDFSNARAAVIQAAKDQYGANSAEATAAAKSFDA
VGVN
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 chain4b52 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b52 Structure of Gentlyase, the Neutral Metalloprotease of Paenibacillus Polymyxa
Resolution1.76 Å
Binding residue
(original residue number in PDB)		D129 D131 Q170 D178 D179
Binding residue
(residue number reindexed from 1)		D129 D131 Q170 D178 D179
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H135 E136 H139 Y150 E159 D214 H219
Catalytic site (residue number reindexed from 1) H135 E136 H139 Y150 E159 D214 H219
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:4b52, PDBe:4b52, PDBj:4b52
PDBsum4b52
PubMed23275160
UniProtE3E6L0

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