Structure of PDB 5chk Chain A Binding Site BS01

Receptor Information
>5chk Chain A (length=121) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KCSLTGKWTNDLGSNMTIGAVNSRGEFTGTYTTAVTATSNEIKESPLHGT
ENTINKRTQPTFGFTVNWKFSESTTVFTGQCFIDRNGKEVLKTMWLLRSS
VNDIGDDWKATRVGINIFTRL
Ligand information
Ligand ID55R
InChIInChI=1S/C13H10N2O3/c16-10-7-5-9(6-8-10)14-15-12-4-2-1-3-11(12)13(17)18/h1-8,15H,(H,17,18)
InChIKeyFBVSMDPNVYJNON-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1NN=C2C=CC(=O)C=C2
OpenEye OEToolkits 1.9.2c1ccc(c(c1)C(=O)O)NN=C2C=CC(=O)C=C2
ACDLabs 12.01O=C(O)c2c(N/N=C1/C=CC(=O)C=C1)cccc2
FormulaC13 H10 N2 O3
Name2-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzoic acid
ChEMBL
DrugBank
ZINCZINC000015020565
PDB chain5chk Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5chk Crystal structure and ligand affinity of avidin in the complex with 4-hydroxyazobenzene-2-carboxylic acid
Resolution2.2 Å
Binding residue
(original residue number in PDB)		S16 Y33 T35 W70 S73 T77 W97 N118
Binding residue
(residue number reindexed from 1)		S14 Y31 T33 W68 S71 T75 W95 N116
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.39,Kd=4.12uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0019731 antibacterial humoral response
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5chk, PDBe:5chk, PDBj:5chk
PDBsum5chk
PubMed
UniProtP02701|AVID_CHICK Avidin (Gene Name=AVD)

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