Structure of PDB 1s4i Chain C Binding Site BS01

Receptor Information
>1s4i Chain C (length=151) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFGHHVQLVNREGKAVGFIEIKESDDEGLDIHISANSLRPGASLGFHIYE
KGSCVRPDFESAGGPFNPLNKEHGFNNPMGHHAGDLPNLEVGADGKVDVI
MNAPDTSLKKGSKLNILDEDGSAFIIHEQADDYLTNPSGNSGARIVCGAL
L
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 chain1s4i Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s4i A prokaryotic superoxide dismutase paralog lacking two Cu ligands: from largely unstructured in solution to ordered in the crystal.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H71 D137
Binding residue
(residue number reindexed from 1)		H32 D98
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H86 Y88 P104 H112 H121 D124 H166 R183
Catalytic site (residue number reindexed from 1) H47 Y49 P65 H73 H82 D85 H127 R144
Enzyme Commision number 1.15.1.1: superoxide dismutase.
Gene Ontology
Molecular Function
GO:0004784 superoxide dismutase activity
GO:0005507 copper ion binding
GO:0008270 zinc ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006801 superoxide metabolic process
GO:0019430 removal of superoxide radicals
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1s4i, PDBe:1s4i, PDBj:1s4i
PDBsum1s4i
PubMed15897454
UniProtO31851|YOJM_BACSU Superoxide dismutase-like protein YojM (Gene Name=yojM)

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