Structure of PDB 1nqd Chain B Binding Site BS01

Receptor Information
>1nqd Chain B (length=114) Species: 1498 (Hathewaya histolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPGNEKLKEKENNDSSDKATVIPNFNTTMQGSLLGDDSRDYYSFEVKEEG
EVNIELDKKDEFGVTWTLHPESRITYGQVDGNKVSNKVKLRPGKYYLLVY
KYSGSGNYELRVNK
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 chain1nqd Chain B Residue 1009 [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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PDB1nqd A Bacterial Collagen-Binding Domain with Novel Calcium-Binding Motif Controls Domain Orientation
Resolution1.65 Å
Binding residue
(original residue number in PDB)		E899 E901 S922 D927 D930
Binding residue
(residue number reindexed from 1)		E9 E11 S32 D37 D40
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.3: microbial collagenase.
External links
PDB RCSB:1nqd, PDBe:1nqd, PDBj:1nqd
PDBsum1nqd
PubMed12682007
UniProtQ9X721|COLG_HATHI Collagenase ColG (Gene Name=colG)

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