Structure of PDB 4fab Chain H Binding Site BS01

Receptor Information
>4fab Chain H (length=216) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLDETGGGLVQPGRPMKLSCVASGFTFSDYWMNWVRQSPEKGLEWVAQ
IRNKPYNYETYYSDSVKGRFTISRDDSKSSVYLQMNNLRVEDMGIYYCTG
SYYGMDYWGQGTSVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGY
FPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITC
NVAHPASSTKVDKKIE
Ligand information
Ligand IDFLU
InChIInChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
InChIKeyYKGGGCXBWXHKIZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c4ccccc4C=1c3c(OC=2C=1C=CC(=O)C=2)cc(O)cc3
CACTVS 3.341OC(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O
FormulaC20 H12 O5
Name2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID;
FLUORESCEIN
ChEMBLCHEMBL177756
DrugBank
ZINCZINC000003872582
PDB chain4fab Chain H Residue 218 [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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PDB4fab Three-dimensional structure of a fluorescein-Fab complex crystallized in 2-methyl-2,4-pentanediol.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		W33 Y102 Y103
Binding residue
(residue number reindexed from 1)		W33 Y102 Y103
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=8.06,Kd=8.8nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:4fab, PDBe:4fab, PDBj:4fab
PDBsum4fab
PubMed2508085
UniProtP01865|GCAM_MOUSE Immunoglobulin heavy constant gamma 2A (Gene Name=Ighg2a)

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