Structure of PDB 4z7x Chain A Binding Site BS01

Receptor Information
>4z7x Chain A (length=211) Species: 544580 (Actinomyces oris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FPAPSEGLATAKANQGGIPKQVLSDASWTYGEGAALDTVAASAPVLDIYF
DYSCSHCAQFEGLHTQEINQLLSDKKITLALHPCKLLQQEWTSVVMNAMG
VVLDEAPAQSLSFHNAAFEIFSQAIQTKNQSNMTVEGLVAAAAKVNVPKE
VSAKFKAAVDSDKYGKWVKLGDEAFKARELEGTPTVFFKGEKVDLNKLQT
PTSLTELVTGS
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 A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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 P192 S195
Binding residue
(residue number reindexed from 1)		Q21 T29 Y30 G31 E32 G33 P107 S110
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links