Structure of PDB 4z7x Chain B Binding Site BS01

Receptor Information
>4z7x Chain B (length=208) Species: 544580 (Actinomyces oris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSKFPAPSEGLAKANQGGIPKQVLSDASWTYGEGSAPVLDIYFDYSCSHC
AQFEGLHTQEINQLLSDKKITLALHPCKLLQQEWTSVVMNAMGVVLDEAP
AQSLSFHNAAFEIFSQAIQTKNQSNMTVEGLVAAAAKVNVPKEVSAKFKA
AVDSDKYGKWVKLGDEAFKARELEGTPTVFFKGEKVDLNKLQTPTSLTEL
VTGSTPTA
Ligand information
Ligand ID3CX
InChIInChI=1S/C9H19NO4S/c11-9(7-15(12,13)14)6-10-8-4-2-1-3-5-8/h8-11H,1-7H2,(H,12,13,14)/t9-/m0/s1
InChIKeyINEWUCPYEUEQTN-VIFPVBQESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1CCC(CC1)NCC(CS(=O)(=O)O)O
ACDLabs 12.01O=S(=O)(O)CC(O)CNC1CCCCC1
CACTVS 3.370O[C@@H](CNC1CCCCC1)C[S](O)(=O)=O
CACTVS 3.370O[CH](CNC1CCCCC1)C[S](O)(=O)=O
FormulaC9 H19 N O4 S
Name(2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid
ChEMBL
DrugBank
ZINCZINC000002168583
PDB chain4z7x Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4z7x A Disulfide Bond-forming Machine Is Linked to the Sortase-mediated Pilus Assembly Pathway in the Gram-positive Bacterium Actinomyces oris.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		Q106 T114 Y115 G116 E117 G118 S195
Binding residue
(residue number reindexed from 1)		Q22 T30 Y31 G32 E33 G34 S103
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links