Structure of PDB 1kfa Chain I Binding Site BS01

Receptor Information
>1kfa Chain I (length=209) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLVESGGGLVKPGGSLKLSCAASGFTFSSYAMSWVRQTPERRLEWVATIT
TRGYTFYPDSVKGRFTVSRDNARNTLNLQMSSLRSEDTAMFYCTREGLLL
DYFTMDYWGQGTSVTVSSAKTTPPSVYPLAPMVTLGCLVKGYFPEPVTVT
WNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSSRPSETVTCNVAHPASS
TKVDKKIVP
Ligand information
Ligand IDGA4
InChIInChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
InChIKeyRSQSQJNRHICNNH-NFMPGMCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O
OpenEye OEToolkits 1.5.0CC12C(CCC3(C1C(C45C3CCC(C4)C(=C)C5)C(=O)O)OC2=O)O
CACTVS 3.341C[C@]12[C@@H](O)CC[C@@]3(OC1=O)[C@@H]4CC[C@@H]5C[C@]4(CC5=C)[C@H]([C@H]23)C(O)=O
CACTVS 3.341C[C]12[CH](O)CC[C]3(OC1=O)[CH]4CC[CH]5C[C]4(CC5=C)[CH]([CH]23)C(O)=O
ACDLabs 10.04O=C(O)C4C21CC(\C(=C)C1)CCC2C35OC(=O)C(C)(C34)C(O)CC5
FormulaC19 H24 O5
NameGIBBERELLIN A4
ChEMBL
DrugBankDB07815
ZINCZINC000004102247
PDB chain1kfa Chain I Residue 1300 [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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PDB1kfa Crystal structure of the liganded anti-gibberellin A(4) antibody 4-B8(8)/E9 Fab fragment.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S31 T52 T53 L102 L103 F106
Binding residue
(residue number reindexed from 1)		S29 T50 T51 L99 L100 F103
Annotation score4
External links