Structure of PDB 8jt1 Chain A Binding Site BS06

Receptor Information
>8jt1 Chain A (length=532) Species: 673 (Grimontia hollisae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QCDLSQFQTTSSNQLMAAIRQQGASCVNALFSADTGVQEAAFSSNHMYNV
AQYTRTLAQQYAGGGSDELEALYLYLRAGYYAEFYNSNITFLSWVTPAVK
GAVDAFVQNAHFYDNGDAHGKVLNEVIITMDSAGLQHAYLDVVTQWLTRW
NAQYAEHWYMRNAVNGVFTLLFGGQWNNQYTSLIGEQTALVTALQAFALD
RTKVNSPTEFMAANAARELGRLARYTDATIAPKVTEGLTAIFGQYPSYGD
GDAIWLGAADTASYYADCSQFNICGFEDALRDAALNQTFICSDTIKIRSQ
DMSQAQHLAACDKMAYEESFFHTTLETGNQPVADDHNTQLQVNIFNSDTD
YGKYAGPIFGIDTNNGGMYLEGNPANVGNIPNFIAYEASYANPDHFVWNL
EHEYVHYLDGRFNMYGDFGTPTELVVWWSEGVAEYVSRVNDNPQAIATIQ
DGSTYTLAQVFDTTYDGFDVDRIYRWGYLAVRFMFERHPDEVQRMLSATR
QGRWAEYKAIISGWANQYQSEFAQWTEALAKG
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 chain8jt1 Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jt1 Insights into the catalytic mechanism of Grimontia hollisae collagenase through structural and mutational analyses.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D391 N436 E477
Binding residue
(residue number reindexed from 1)		D301 N346 E387
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.3: microbial collagenase.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jt1, PDBe:8jt1, PDBj:8jt1
PDBsum8jt1
PubMed37698340
UniProtF7IZI6

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