Structure of PDB 1kfa Chain H Binding Site BS01

Receptor Information
>1kfa Chain H (length=213) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VMLVESGGGLVKPGGSLKLSCAASGFTFSSYAMSWVRQTPERRLEWVATI
TTRGYTFYPDSVKGRFTVSRDNARNTLNLQMSSLRSEDTAMFYCTREGLL
LDYFTMDYWGQGTSVTVSSAKTTPPSVYPLAPSMVTLGCLVKGYFPEPVT
VTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSSRPSETVTCNVAHPA
SSTKVDKKIVPAD
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 H Residue 300 [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)		A33 T52 T53 E99 L102 Y105 F106
Binding residue
(residue number reindexed from 1)		A32 T51 T52 E97 L100 Y103 F104
Annotation score4
External links