Structure of PDB 1s9d Chain A Binding Site BS02

Receptor Information
>1s9d Chain A (length=155) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILMVGLDAAGKTTILYKLKTIPTIGFNVETVEYKNISFTVWDVGGQDK
IRPLWRHYFQNTQGLIFVVDSNDRERVNEAREELMRMLAEDELRDAVLLV
FANKQDLPNAMNAAEITDKLGLHSLRHRNWYIQATCATSGDGLYEGLDWL
SNQLR
Ligand information
Ligand IDAFB
InChIInChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/b6-4+,8-7+/t11-,12+,13-,14+,15+/m0/s1
InChIKeyKQNZDYYTLMIZCT-KQPMLPITSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O
OpenEye OEToolkits 1.5.0C[C@H]1CCC\C=C\[C@@H]2C[C@@H](C[C@H]2[C@@H](\C=C\C(=O)O1)O)O
CACTVS 3.341C[CH]1CCCC=C[CH]2C[CH](O)C[CH]2[CH](O)C=CC(=O)O1
CACTVS 3.341C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)/C=C/C(=O)O1
ACDLabs 10.04O=C1OC(CCCC=CC2C(C(O)C=C1)CC(O)C2)C
FormulaC16 H24 O4
Name1,6,7,8,9,11A,12,13,14,14A-DECAHYDRO-1,13-DIHYDROXY-6-METHYL-4H-CYCLOPENT[F]OXACYCLOTRIDECIN-4-ONE;
BREFELDIN A
ChEMBLCHEMBL19980
DrugBankDB07348
ZINCZINC000012371944
PDB chain1s9d Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s9d Structural Snapshots of the Mechanism and Inhibition of a Guanine Nucleotide Exchange Factor
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W66 D67 W78 Y81
Binding residue
(residue number reindexed from 1)		W43 D44 W55 Y58
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q71
Catalytic site (residue number reindexed from 1) Q48
Enzyme Commision number 3.6.5.2: small monomeric GTPase.
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0002090 regulation of receptor internalization
GO:0006886 intracellular protein transport
GO:0015031 protein transport
GO:0016192 vesicle-mediated transport
GO:0034315 regulation of Arp2/3 complex-mediated actin nucleation
GO:0060292 long-term synaptic depression
GO:0097061 dendritic spine organization
Cellular Component
GO:0000139 Golgi membrane
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0016020 membrane
GO:0042583 chromaffin granule
GO:0043005 neuron projection
GO:0045202 synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1s9d, PDBe:1s9d, PDBj:1s9d
PDBsum1s9d
PubMed14654833
UniProtP84080|ARF1_BOVIN ADP-ribosylation factor 1 (Gene Name=ARF1)

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