Structure of PDB 6ior Chain A Binding Site BS01

Receptor Information
>6ior Chain A (length=241) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSVREEIESLVQDSLMEMVKGVKNTIESDLASKKGLAQSTTEILQLDPTN
KAFAKSVLESPNLKGSFLAIGLGYESDATVVENDDGWEPNADYDPRKRPW
YVDAKRERKLVVTEPYVDISTKKIIISIGTPVYQQSNFVGAMFYDVELTQ
LAQLVNSVNLFDAGYLFITTKDGVTIAHPNAENNGEKFSQFLPNVDLKEG
TQRIELDGKYYLVKFAQVPSESWYIGAVVDESIAFAMVDDL
Ligand information
Ligand IDASN
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKeyDCXYFEDJOCDNAF-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.370N[C@@H](CC(N)=O)C(O)=O
ACDLabs 12.01O=C(N)CC(N)C(=O)O
CACTVS 3.370N[CH](CC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.2C(C(C(=O)O)N)C(=O)N
OpenEye OEToolkits 1.7.2C([C@@H](C(=O)O)N)C(=O)N
FormulaC4 H8 N2 O3
NameASPARAGINE
ChEMBLCHEMBL58832
DrugBankDB00174
ZINCZINC000001532556
PDB chain6ior 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

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PDB6ior Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y120 R125 W127 Y143 D145 F170 D172
Binding residue
(residue number reindexed from 1)		Y93 R98 W100 Y116 D118 F143 D145
Annotation score4
Binding affinityMOAD: Kd=6.3uM
PDBbind-CN: -logKd/Ki=4.31,Kd=49.5uM
Enzymatic activity
Enzyme Commision number ?
External links