Structure of PDB 5iku Chain A Binding Site BS04

Receptor Information
>5iku Chain A (length=240) Species: 1498 (Hathewaya histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIPGTTTPITKEMEPNDDIKEANGPIVEGVTVKGDLNGSDDADTFYFDVK
EDGDVTIELPYSGSSNFTWLVYKEGDDQNHIASGIDKNNSKVGTFKSTKG
RHYVFIYKHDSASNISYSLNIKGLGNEKLKEKENNDSSDKATVIPNFNTT
MQGSLLGDDSRDYYSFEVKEEGEVNIELDKKDEFGVTWTLHPESNINDRI
TYGQVDGNKVSNKVKLRPGKYYLLVYKYSGSGNYELRVNK
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 chain5iku Chain A Residue 2004 [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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PDB5iku Ca2+-induced orientation of tandem collagen binding domains from clostridial collagenase ColG permits two opposing functions of collagen fibril formation and retardation.
Resolution1.9 Å
Binding residue
(original residue number in PDB)
E780 E782 D803 D808 D811
Binding residue
(residue number reindexed from 1)
E12 E14 D35 D40 D43
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.3: microbial collagenase.
External links
PDB RCSB:5iku, PDBe:5iku, PDBj:5iku
PDBsum5iku
PubMed30035850
UniProtQ9X721|COLG_HATHI Collagenase ColG (Gene Name=colG)

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