Structure of PDB 1yed Chain B Binding Site BS01

Receptor Information

>1yed Chain B (length=226) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AVKLQQSGPELVRPGTSVKLSCKTSGYIFTSYWIHWLKQSSGQGLEWIAR
IYPGTGGTYYNEKFKGKATLTADKSSSTAYMQLSSLKSEDSAVYFCTRWG
FTTVRENYYAMDYWGQGTLVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLG
CLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRP
SETVTCNVAHPASSTKVDKKIVPRDC

Ligand information

Ligand ID

PNB

InChI

InChI=1S/C13H17N2O8P/c16-12(14-8-13(17)18)2-1-7-24(21,22)23-9-10-3-5-11(6-4-10)15(19)20/h3-6H,1-2,7-9H2,(H,14,16)(H,17,18)(H,21,22)

InChIKey

LNMNPGKCSJFAGN-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1COP(=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]
ACDLabs 10.04	O=C(O)CNC(=O)CCCP(=O)(OCc1ccc(cc1)[N+]([O-])=O)O
OpenEye OEToolkits 1.5.0	c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-]
CACTVS 3.341	OC(=O)CNC(=O)CCC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
CACTVS 3.341	OC(=O)CNC(=O)CCC[P@@](O)(=O)OCc1ccc(cc1)[N+]([O-])=O

Formula

C13 H17 N2 O8 P

Name

4-NITRO-BENZYLPHOSPHONOBUTANOYL-GLYCINE

PDB chain

1yed Chain A Residue 552 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1yed Structural convergence in the active sites of a family of catalytic antibodies.
Resolution	3.1 Å
Binding residue (original residue number in PDB)	L37 W95 F97 Y100E
Binding residue (residue number reindexed from 1)	L37 W99 F101 Y109
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1yed, PDBe:1yed, PDBj:1yed
PDBsum	1yed
PubMed	9027317
UniProt	P01868\|IGHG1_MOUSE Ig gamma-1 chain C region secreted form (Gene Name=Ighg1)

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