Structure of PDB 1yvg Chain A Binding Site BS01

Receptor Information
>1yvg Chain A (length=397) Species: 1513 (Clostridium tetani) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PITINNFRYSDPVNNDTIIMMEPPYCKGLDIYYKAFKITDRIWIVPERYE
FGTKPEDFNPPSSASEYYDPNYLRTDSDKDRFLQTMVKLFNRIKNNVAGE
ALLDKIINAIPYLGNSYSLLDKFDTNSNSVSFNLLEQDPSGATTKSAMLT
NLIIFGPGPVLNKNEVRGIVLRVDNKNYFPCRDGFGSIMQMAFCPEYVPT
FDNSKYFQDPALLLMHELIHVLHGLYGMQVSSHEIPISAEELFTFGGQDA
NLISIDIKNDLYEKTLNDYKAIANKLSQVTSCNDPNIDIDSYKQIYQQKY
QFDKDSNGQYIVNEDKFQILYNSIMYGFTEIELGKKFNIKTRLSYFSMNH
DPVKIPNLLDDTIYNDTEGFNIESKDLKSEYKGQNMRVNTNAFRNVD
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 chain1yvg Chain A Residue 469 [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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PDB1yvg Structural analysis of the catalytic domain of tetanus neurotoxin.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H232 H236 E270
Binding residue
(residue number reindexed from 1)		H216 H220 E241
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H232 E233 H236 E270 R371
Catalytic site (residue number reindexed from 1) H216 E217 H220 E241 R342
Enzyme Commision number 3.4.24.68: tentoxilysin.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1yvg, PDBe:1yvg, PDBj:1yvg
PDBsum1yvg
PubMed15904688
UniProtP04958|TETX_CLOTE Tetanus toxin (Gene Name=tetX)

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