Structure of PDB 4u7k Chain E Binding Site BS01

Receptor Information
>4u7k Chain E (length=86) Species: 1498 (Hathewaya histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLPYGKINGTYKGTEKEKIKFSSEGSFDPDGKIVSYEWDFGDGNKSNEE
NPEHSYDKVGTYTVKLKVTDDKGESSVSTTTAEIKD
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 chain4u7k Chain E Residue 801 [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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PDB4u7k Structures of three polycystic kidney disease-like domains from Clostridium histolyticum collagenases ColG and ColH.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		N685 S686 D713 D715 D754
Binding residue
(residue number reindexed from 1)		N1 S2 D29 D31 D70
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.3: microbial collagenase.
External links
PDB RCSB:4u7k, PDBe:4u7k, PDBj:4u7k
PDBsum4u7k
PubMed25760606
UniProtQ46085|COLH_HATHI Collagenase ColH (Gene Name=colH)

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